Monday, May 20, 2013

All Chemical Compounds Information




Product OPENEYE NAME: (E)-3-(4-bromophenyl)-N-(1,3-dimethylpyrazolo[3,4-b]pyridin-5-yl)prop-2-enamide
CAS Name: (E)-3-(4-bromophenyl)-N-(1,3-dimethyl-5-pyrazolo[3,4-b]pyridinyl)-2-propenamide
IUPAC NAME: (E)-3-(4-bromophenyl)-N-(1,3-dimethylpyrazolo[3,4-b]pyridin-5-yl)prop-2-enamide
SYSTEMATIC NAME: (E)-3-(4-bromophenyl)-N-(1,3-dimethylpyrazolo[3,4-b]pyridin-5-yl)prop-2-enamide
MOLECULAR FORMULA: C17H15BrN4O
MOLECULAR WEIGHT: 371.2312
SMILES: CC1=NN(C2=NC=C(C=C12)NC(=O)/C=C/C3=CC=C(C=C3)Br)C
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Product OPENEYE NAME: 2-(1,3-benzoxazol-2-ylsulfanylmethyl)-N-(1,3-dimethylpyrazolo[3,4-b]pyridin-5-yl)benzamide
CAS Name: 2-[(1,3-benzoxazol-2-ylthio)methyl]-N-(1,3-dimethyl-5-pyrazolo[3,4-b]pyridinyl)benzamide
IUPAC NAME: 2-(1,3-benzoxazol-2-ylsulfanylmethyl)-N-(1,3-dimethylpyrazolo[3,4-b]pyridin-5-yl)benzamide
SYSTEMATIC NAME: 2-(1,3-benzoxazol-2-ylsulfanylmethyl)-N-(1,3-dimethylpyrazolo[3,4-b]pyridin-5-yl)benzamide
MOLECULAR FORMULA: C23H19N5O2S
MOLECULAR WEIGHT: 429.49426
SMILES: CC1=NN(C2=NC=C(C=C12)NC(=O)C3=CC=CC=C3CSC4=NC5=CC=CC=C5O4)C
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Product OPENEYE NAME: 2-(4-bromophenyl)sulfanyl-N-(1,3-dimethylpyrazolo[3,4-b]pyridin-5-yl)pyridine-3-carboxamide
CAS Name: 2-[(4-bromophenyl)thio]-N-(1,3-dimethyl-5-pyrazolo[3,4-b]pyridinyl)-3-pyridinecarboxamide
IUPAC NAME: 2-(4-bromophenyl)sulfanyl-N-(1,3-dimethylpyrazolo[3,4-b]pyridin-5-yl)pyridine-3-carboxamide
SYSTEMATIC NAME: 2-(4-bromophenyl)sulfanyl-N-(1,3-dimethylpyrazolo[3,4-b]pyridin-5-yl)pyridine-3-carboxamide
MOLECULAR FORMULA: C20H16BrN5OS
MOLECULAR WEIGHT: 454.34294
SMILES: CC1=NN(C2=NC=C(C=C12)NC(=O)C3=C(N=CC=C3)SC4=CC=C(C=C4)Br)C
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Product OPENEYE NAME: N-(1,3-dimethylpyrazolo[3,4-b]pyridin-5-yl)-2-(phenoxymethyl)benzamide
CAS Name: N-(1,3-dimethyl-5-pyrazolo[3,4-b]pyridinyl)-2-(phenoxymethyl)benzamide
IUPAC NAME: N-(1,3-dimethylpyrazolo[3,4-b]pyridin-5-yl)-2-(phenoxymethyl)benzamide
SYSTEMATIC NAME: N-(1,3-dimethylpyrazolo[3,4-b]pyridin-5-yl)-2-(phenoxymethyl)benzamide
MOLECULAR FORMULA: C22H20N4O2
MOLECULAR WEIGHT: 372.4198
SMILES: CC1=NN(C2=NC=C(C=C12)NC(=O)C3=CC=CC=C3COC4=CC=CC=C4)C
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Product OPENEYE NAME: (E)-3-(2-bromophenyl)-N-(1,3-dimethylpyrazolo[3,4-b]pyridin-5-yl)prop-2-enamide
CAS Name: (E)-3-(2-bromophenyl)-N-(1,3-dimethyl-5-pyrazolo[3,4-b]pyridinyl)-2-propenamide
IUPAC NAME: (E)-3-(2-bromophenyl)-N-(1,3-dimethylpyrazolo[3,4-b]pyridin-5-yl)prop-2-enamide
SYSTEMATIC NAME: (E)-3-(2-bromophenyl)-N-(1,3-dimethylpyrazolo[3,4-b]pyridin-5-yl)prop-2-enamide
MOLECULAR FORMULA: C17H15BrN4O
MOLECULAR WEIGHT: 371.2312
SMILES: CC1=NN(C2=NC=C(C=C12)NC(=O)/C=C/C3=CC=CC=C3Br)C
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Product OPENEYE NAME: 1-[3-chloro-5-(trifluoromethyl)-2-pyridyl]-N-(1,3-dimethylpyrazolo[3,4-b]pyridin-5-yl)piperidine-4-carboxamide
CAS Name: 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(1,3-dimethyl-5-pyrazolo[3,4-b]pyridinyl)-4-piperidinecarboxamide
IUPAC NAME: 1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-N-(1,3-dimethylpyrazolo[3,4-b]pyridin-5-yl)piperidine-4-carboxamide
SYSTEMATIC NAME: 1-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]-N-(1,3-dimethylpyrazolo[3,4-b]pyridin-5-yl)piperidine-4-carboxamide
MOLECULAR FORMULA: C20H20ClF3N6O
MOLECULAR WEIGHT: 452.86061
SMILES: CC1=NN(C2=NC=C(C=C12)NC(=O)C3CCN(CC3)C4=C(C=C(C=N4)C(F)(F)F)Cl)C
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Product OPENEYE NAME: N-[(1R)-1-[(1,3-dimethylpyrazolo[3,4-b]pyridin-5-yl)carbamoyl]-2-methyl-propyl]adamantane-1-carboxamide
CAS Name: N-[(2R)-1-[(1,3-dimethyl-5-pyrazolo[3,4-b]pyridinyl)amino]-3-methyl-1-oxobutan-2-yl]-1-adamantanecarboxamide
IUPAC NAME: N-[(2R)-1-[(1,3-dimethylpyrazolo[3,4-b]pyridin-5-yl)amino]-3-methyl-1-oxobutan-2-yl]adamantane-1-carboxamide
SYSTEMATIC NAME: N-[(2R)-1-[(1,3-dimethylpyrazolo[3,4-b]pyridin-5-yl)amino]-3-methyl-1-oxidanylidene-butan-2-yl]adamantane-1-carboxamide
MOLECULAR FORMULA: C24H33N5O2
MOLECULAR WEIGHT: 423.55112
SMILES: CC1=NN(C2=NC=C(C=C12)NC(=O)[C@@H](C(C)C)NC(=O)C34CC5CC(C3)CC(C5)C4)C
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Product OPENEYE NAME: N-[(1S)-1-[(1,3-dimethylpyrazolo[3,4-b]pyridin-5-yl)carbamoyl]-2-methyl-propyl]adamantane-1-carboxamide
CAS Name: N-[(2S)-1-[(1,3-dimethyl-5-pyrazolo[3,4-b]pyridinyl)amino]-3-methyl-1-oxobutan-2-yl]-1-adamantanecarboxamide
IUPAC NAME: N-[(2S)-1-[(1,3-dimethylpyrazolo[3,4-b]pyridin-5-yl)amino]-3-methyl-1-oxobutan-2-yl]adamantane-1-carboxamide
SYSTEMATIC NAME: N-[(2S)-1-[(1,3-dimethylpyrazolo[3,4-b]pyridin-5-yl)amino]-3-methyl-1-oxidanylidene-butan-2-yl]adamantane-1-carboxamide
MOLECULAR FORMULA: C24H33N5O2
MOLECULAR WEIGHT: 423.55112
SMILES: CC1=NN(C2=NC=C(C=C12)NC(=O)[C@H](C(C)C)NC(=O)C34CC5CC(C3)CC(C5)C4)C
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Product OPENEYE NAME: N-(1,3-dimethylpyrazolo[3,4-b]pyridin-5-yl)-2-indan-5-yl-acetamide
CAS Name: 2-(2,3-dihydro-1H-inden-5-yl)-N-(1,3-dimethyl-5-pyrazolo[3,4-b]pyridinyl)acetamide
IUPAC NAME: 2-(2,3-dihydro-1H-inden-5-yl)-N-(1,3-dimethylpyrazolo[3,4-b]pyridin-5-yl)acetamide
SYSTEMATIC NAME: 2-(2,3-dihydro-1H-inden-5-yl)-N-(1,3-dimethylpyrazolo[3,4-b]pyridin-5-yl)ethanamide
MOLECULAR FORMULA: C19H20N4O
MOLECULAR WEIGHT: 320.3883
SMILES: CC1=NN(C2=NC=C(C=C12)NC(=O)CC3=CC4=C(CCC4)C=C3)C
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Product OPENEYE NAME: (E)-3-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-(1,3-dimethylpyrazolo[3,4-b]pyridin-5-yl)prop-2-enamide
CAS Name: (E)-3-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-(1,3-dimethyl-5-pyrazolo[3,4-b]pyridinyl)-2-propenamide
IUPAC NAME: (E)-3-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-(1,3-dimethylpyrazolo[3,4-b]pyridin-5-yl)prop-2-enamide
SYSTEMATIC NAME: (E)-3-(5-chloranyl-2,3-dihydro-1,4-benzodioxin-7-yl)-N-(1,3-dimethylpyrazolo[3,4-b]pyridin-5-yl)prop-2-enamide
MOLECULAR FORMULA: C19H17ClN4O3
MOLECULAR WEIGHT: 384.81628
SMILES: CC1=NN(C2=NC=C(C=C12)NC(=O)/C=C/C3=CC4=C(C(=C3)Cl)OCCO4)C
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Product OPENEYE NAME: (E)-N-(1,3-dimethylpyrazolo[3,4-b]pyridin-5-yl)-3-(4-ethylphenyl)prop-2-enamide
CAS Name: (E)-N-(1,3-dimethyl-5-pyrazolo[3,4-b]pyridinyl)-3-(4-ethylphenyl)-2-propenamide
IUPAC NAME: (E)-N-(1,3-dimethylpyrazolo[3,4-b]pyridin-5-yl)-3-(4-ethylphenyl)prop-2-enamide
SYSTEMATIC NAME: (E)-N-(1,3-dimethylpyrazolo[3,4-b]pyridin-5-yl)-3-(4-ethylphenyl)prop-2-enamide
MOLECULAR FORMULA: C19H20N4O
MOLECULAR WEIGHT: 320.3883
SMILES: CCC1=CC=C(C=C1)/C=C/C(=O)NC2=CN=C3C(=C2)C(=NN3C)C
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Product OPENEYE NAME: (E)-3-(2-chloro-6-fluoro-phenyl)-N-(1,3-dimethylpyrazolo[3,4-b]pyridin-5-yl)prop-2-enamide
CAS Name: (E)-3-(2-chloro-6-fluorophenyl)-N-(1,3-dimethyl-5-pyrazolo[3,4-b]pyridinyl)-2-propenamide
IUPAC NAME: (E)-3-(2-chloro-6-fluorophenyl)-N-(1,3-dimethylpyrazolo[3,4-b]pyridin-5-yl)prop-2-enamide
SYSTEMATIC NAME: (E)-3-(2-chloranyl-6-fluoranyl-phenyl)-N-(1,3-dimethylpyrazolo[3,4-b]pyridin-5-yl)prop-2-enamide
MOLECULAR FORMULA: C17H14ClFN4O
MOLECULAR WEIGHT: 344.770663
SMILES: CC1=NN(C2=NC=C(C=C12)NC(=O)/C=C/C3=C(C=CC=C3Cl)F)C
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Product OPENEYE NAME: N-(1,3-dimethylpyrazolo[3,4-b]pyridin-5-yl)furan-3-carboxamide
CAS Name: N-(1,3-dimethyl-5-pyrazolo[3,4-b]pyridinyl)-3-furancarboxamide
IUPAC NAME: N-(1,3-dimethylpyrazolo[3,4-b]pyridin-5-yl)furan-3-carboxamide
SYSTEMATIC NAME: N-(1,3-dimethylpyrazolo[3,4-b]pyridin-5-yl)furan-3-carboxamide
MOLECULAR FORMULA: C13H12N4O2
MOLECULAR WEIGHT: 256.25998
SMILES: CC1=NN(C2=NC=C(C=C12)NC(=O)C3=COC=C3)C
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Product OPENEYE NAME: 6-bromo-N-(1,3-dimethylpyrazolo[3,4-b]pyridin-5-yl)-2H-chromene-3-carboxamide
CAS Name: 6-bromo-N-(1,3-dimethyl-5-pyrazolo[3,4-b]pyridinyl)-2H-1-benzopyran-3-carboxamide
IUPAC NAME: 6-bromo-N-(1,3-dimethylpyrazolo[3,4-b]pyridin-5-yl)-2H-chromene-3-carboxamide
SYSTEMATIC NAME: 6-bromanyl-N-(1,3-dimethylpyrazolo[3,4-b]pyridin-5-yl)-2H-chromene-3-carboxamide
MOLECULAR FORMULA: C18H15BrN4O2
MOLECULAR WEIGHT: 399.2413
SMILES: CC1=NN(C2=NC=C(C=C12)NC(=O)C3=CC4=C(C=CC(=C4)Br)OC3)C
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Product OPENEYE NAME: (3S)-N-[3-(thiophene-2-carbonylamino)phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CAS Name: (3S)-N-[3-[[oxo(thiophen-2-yl)methyl]amino]phenyl]-2,3-dihydro-1,4-benzodioxin-3-carboxamide
IUPAC NAME: (3S)-N-[3-(thiophene-2-carbonylamino)phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
SYSTEMATIC NAME: (3S)-N-[3-(thiophen-2-ylcarbonylamino)phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
MOLECULAR FORMULA: C20H16N2O4S
MOLECULAR WEIGHT: 380.41704
SMILES: C1[C@H](OC2=CC=CC=C2O1)C(=O)NC3=CC=CC(=C3)NC(=O)C4=CC=CS4
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Product OPENEYE NAME: (3R)-N-[3-(thiophene-2-carbonylamino)phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CAS Name: (3R)-N-[3-[[oxo(thiophen-2-yl)methyl]amino]phenyl]-2,3-dihydro-1,4-benzodioxin-3-carboxamide
IUPAC NAME: (3R)-N-[3-(thiophene-2-carbonylamino)phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
SYSTEMATIC NAME: (3R)-N-[3-(thiophen-2-ylcarbonylamino)phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
MOLECULAR FORMULA: C20H16N2O4S
MOLECULAR WEIGHT: 380.41704
SMILES: C1[C@@H](OC2=CC=CC=C2O1)C(=O)NC3=CC=CC(=C3)NC(=O)C4=CC=CS4
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Product OPENEYE NAME: methyl 4-[(Z)-[(1S)-1-methyl-2-(2-methylsulfanylanilino)-2-oxo-ethoxy]iminomethyl]benzoate
CAS Name: 4-[(Z)-[(2S)-1-[2-(methylthio)anilino]-1-oxopropan-2-yl]oxyiminomethyl]benzoic acid methyl ester
IUPAC NAME: methyl 4-[(Z)-[(2S)-1-(2-methylsulfanylanilino)-1-oxopropan-2-yl]oxyiminomethyl]benzoate
SYSTEMATIC NAME: methyl 4-[(Z)-[(2S)-1-[(2-methylsulfanylphenyl)amino]-1-oxidanylidene-propan-2-yl]oxyiminomethyl]benzoate
MOLECULAR FORMULA: C19H20N2O4S
MOLECULAR WEIGHT: 372.4381
SMILES: C[C@@H](C(=O)NC1=CC=CC=C1SC)O/N=C\C2=CC=C(C=C2)C(=O)OC
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