Thursday, December 29, 2011

All Chemical Compounds Information




Product OPENEYE NAME: 2-[5-tert-butyl-3-(1,1,2,2,2-pentafluoroethyl)pyrazol-1-yl]acetic acid
CAS Name: 2-[5-tert-butyl-3-(1,1,2,2,2-pentafluoroethyl)-1-pyrazolyl]acetic acid
IUPAC NAME: 2-[5-tert-butyl-3-(1,1,2,2,2-pentafluoroethyl)pyrazol-1-yl]acetic acid
SYSTEMATIC NAME: 2-[5-tert-butyl-3-[1,1,2,2,2-pentakis(fluoranyl)ethyl]pyrazol-1-yl]ethanoic acid
MOLECULAR FORMULA: C11H13F5N2O2
MOLECULAR WEIGHT: 300.225136
SMILES: CC(C)(C)C1=CC(=NN1CC(=O)O)C(C(F)(F)F)(F)F
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Product OPENEYE NAME: 2-[3-isopropyl-5-(trifluoromethyl)pyrazol-1-yl]acetic acid
CAS Name: 2-[3-propan-2-yl-5-(trifluoromethyl)-1-pyrazolyl]acetic acid
IUPAC NAME: 2-[3-propan-2-yl-5-(trifluoromethyl)pyrazol-1-yl]acetic acid
SYSTEMATIC NAME: 2-[3-propan-2-yl-5-(trifluoromethyl)pyrazol-1-yl]ethanoic acid
MOLECULAR FORMULA: C9H11F3N2O2
MOLECULAR WEIGHT: 236.19105
SMILES: CC(C)C1=NN(C(=C1)C(F)(F)F)CC(=O)O
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Product OPENEYE NAME: 2-[3-isopropyl-5-(trifluoromethyl)pyrazol-1-yl]acetyl chloride
CAS Name: 2-[3-propan-2-yl-5-(trifluoromethyl)-1-pyrazolyl]acetyl chloride
IUPAC NAME: 2-[3-propan-2-yl-5-(trifluoromethyl)pyrazol-1-yl]acetyl chloride
SYSTEMATIC NAME: 2-[3-propan-2-yl-5-(trifluoromethyl)pyrazol-1-yl]ethanoyl chloride
MOLECULAR FORMULA: C9H10ClF3N2O
MOLECULAR WEIGHT: 254.63671
SMILES: CC(C)C1=NN(C(=C1)C(F)(F)F)CC(=O)Cl
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Product OPENEYE NAME: 2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-1-(4-thiazol-2-yl-1-piperidyl)ethanone
CAS Name: 2-[3,5-bis(difluoromethyl)-1-pyrazolyl]-1-[4-(2-thiazolyl)-1-piperidinyl]ethanone
IUPAC NAME: 2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]ethanone
SYSTEMATIC NAME: 2-[3,5-bis[bis(fluoranyl)methyl]pyrazol-1-yl]-1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]ethanone
MOLECULAR FORMULA: C15H16F4N4OS
MOLECULAR WEIGHT: 376.372353
SMILES: C1CN(CCC1C2=NC=CS2)C(=O)CN3C(=CC(=N3)C(F)F)C(F)F
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Product OPENEYE NAME: 1-(4-thiazol-2-yl-1-piperidyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone
CAS Name: 1-[4-(2-thiazolyl)-1-piperidinyl]-2-[3-(trifluoromethyl)-1-pyrazolyl]ethanone
IUPAC NAME: 1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone
SYSTEMATIC NAME: 1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone
MOLECULAR FORMULA: C14H15F3N4OS
MOLECULAR WEIGHT: 344.35531
SMILES: C1CN(CCC1C2=NC=CS2)C(=O)CN3C=CC(=N3)C(F)(F)F
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Product OPENEYE NAME: 2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-(4-thiazol-2-yl-1-piperidyl)ethanone
CAS Name: 2-[5-methyl-3-(trifluoromethyl)-1-pyrazolyl]-1-[4-(2-thiazolyl)-1-piperidinyl]ethanone
IUPAC NAME: 2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]ethanone
SYSTEMATIC NAME: 2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]ethanone
MOLECULAR FORMULA: C15H17F3N4OS
MOLECULAR WEIGHT: 358.38189
SMILES: CC1=CC(=NN1CC(=O)N2CCC(CC2)C3=NC=CS3)C(F)(F)F
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Product OPENEYE NAME: (2R)-N-[(1S)-2-[(6-amino-3-pyridyl)methylamino]-1-[(4-fluorophenyl)methyl]-2-oxo-ethyl]-1-ethyl-pyrrolidine-2-carboxamide
CAS Name: (2R)-N-[(2S)-1-[(6-amino-3-pyridinyl)methylamino]-3-(4-fluorophenyl)-1-oxopropan-2-yl]-1-ethyl-2-pyrrolidinecarboxamide
IUPAC NAME: (2R)-N-[(2S)-1-[(6-aminopyridin-3-yl)methylamino]-3-(4-fluorophenyl)-1-oxopropan-2-yl]-1-ethylpyrrolidine-2-carboxamide
SYSTEMATIC NAME: (2R)-N-[(2S)-1-[(6-azanylpyridin-3-yl)methylamino]-3-(4-fluorophenyl)-1-oxidanylidene-propan-2-yl]-1-ethyl-pyrrolidine-2-carboxamide
MOLECULAR FORMULA: C22H28FN5O2
MOLECULAR WEIGHT: 413.488423
SMILES: CCN1CCC[C@@H]1C(=O)N[C@@H](CC2=CC=C(C=C2)F)C(=O)NCC3=CN=C(C=C3)N
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Product OPENEYE NAME: (2S)-N-[(6-amino-3-pyridyl)methyl]-3-(3,4-difluorophenyl)-2-[[2-(diisopropylamino)acetyl]amino]propanamide
CAS Name: (2S)-N-[(6-amino-3-pyridinyl)methyl]-3-(3,4-difluorophenyl)-2-[[2-[di(propan-2-yl)amino]-1-oxoethyl]amino]propanamide
IUPAC NAME: (2S)-N-[(6-aminopyridin-3-yl)methyl]-3-(3,4-difluorophenyl)-2-[[2-[di(propan-2-yl)amino]acetyl]amino]propanamide
SYSTEMATIC NAME: (2S)-N-[(6-azanylpyridin-3-yl)methyl]-3-[3,4-bis(fluoranyl)phenyl]-2-[2-[di(propan-2-yl)amino]ethanoylamino]propanamide
MOLECULAR FORMULA: C23H31F2N5O2
MOLECULAR WEIGHT: 447.521346
SMILES: CC(C)N(CC(=O)N[C@@H](CC1=CC(=C(C=C1)F)F)C(=O)NCC2=CN=C(C=C2)N)C(C)C
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Product OPENEYE NAME: (2R)-N-[(1S)-2-[(6-amino-3-pyridyl)methylamino]-1-[(3,4-difluorophenyl)methyl]-2-oxo-ethyl]-1-methyl-piperidine-2-carboxamide
CAS Name: (2R)-N-[(2S)-1-[(6-amino-3-pyridinyl)methylamino]-3-(3,4-difluorophenyl)-1-oxopropan-2-yl]-1-methyl-2-piperidinecarboxamide
IUPAC NAME: (2R)-N-[(2S)-1-[(6-aminopyridin-3-yl)methylamino]-3-(3,4-difluorophenyl)-1-oxopropan-2-yl]-1-methylpiperidine-2-carboxamide
SYSTEMATIC NAME: (2R)-N-[(2S)-1-[(6-azanylpyridin-3-yl)methylamino]-3-[3,4-bis(fluoranyl)phenyl]-1-oxidanylidene-propan-2-yl]-1-methyl-piperidine-2-carboxamide
MOLECULAR FORMULA: C22H27F2N5O2
MOLECULAR WEIGHT: 431.478886
SMILES: CN1CCCC[C@@H]1C(=O)N[C@@H](CC2=CC(=C(C=C2)F)F)C(=O)NCC3=CN=C(C=C3)N
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Product OPENEYE NAME: (2R)-N-[(1S)-2-[(6-amino-3-pyridyl)methylamino]-1-[(4-fluorophenyl)methyl]-2-oxo-ethyl]-1-methyl-piperidine-2-carboxamide
CAS Name: (2R)-N-[(2S)-1-[(6-amino-3-pyridinyl)methylamino]-3-(4-fluorophenyl)-1-oxopropan-2-yl]-1-methyl-2-piperidinecarboxamide
IUPAC NAME: (2R)-N-[(2S)-1-[(6-aminopyridin-3-yl)methylamino]-3-(4-fluorophenyl)-1-oxopropan-2-yl]-1-methylpiperidine-2-carboxamide
SYSTEMATIC NAME: (2R)-N-[(2S)-1-[(6-azanylpyridin-3-yl)methylamino]-3-(4-fluorophenyl)-1-oxidanylidene-propan-2-yl]-1-methyl-piperidine-2-carboxamide
MOLECULAR FORMULA: C22H28FN5O2
MOLECULAR WEIGHT: 413.488423
SMILES: CN1CCCC[C@@H]1C(=O)N[C@@H](CC2=CC=C(C=C2)F)C(=O)NCC3=CN=C(C=C3)N
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Product OPENEYE NAME: (2S)-N-[(6-amino-3-pyridyl)methyl]-3-(3,4-difluorophenyl)-2-[[(2S)-2-[isopropyl(methyl)amino]propanoyl]amino]propanamide
CAS Name: (2S)-N-[(6-amino-3-pyridinyl)methyl]-3-(3,4-difluorophenyl)-2-[[(2S)-2-[methyl(propan-2-yl)amino]-1-oxopropyl]amino]propanamide
IUPAC NAME: (2S)-N-[(6-aminopyridin-3-yl)methyl]-3-(3,4-difluorophenyl)-2-[[(2S)-2-[methyl(propan-2-yl)amino]propanoyl]amino]propanamide
SYSTEMATIC NAME: (2S)-N-[(6-azanylpyridin-3-yl)methyl]-3-[3,4-bis(fluoranyl)phenyl]-2-[[(2S)-2-[methyl(propan-2-yl)amino]propanoyl]amino]propanamide
MOLECULAR FORMULA: C22H29F2N5O2
MOLECULAR WEIGHT: 433.494766
SMILES: C[C@@H](C(=O)N[C@@H](CC1=CC(=C(C=C1)F)F)C(=O)NCC2=CN=C(C=C2)N)N(C)C(C)C
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Product OPENEYE NAME: (2R)-N-[(1S)-2-[(6-amino-3-pyridyl)methylamino]-1-[(3,4-difluorophenyl)methyl]-2-oxo-ethyl]-2-(dimethylamino)-3-methyl-pentanamide
CAS Name: (2R)-N-[(2S)-1-[(6-amino-3-pyridinyl)methylamino]-3-(3,4-difluorophenyl)-1-oxopropan-2-yl]-2-(dimethylamino)-3-methylpentanamide
IUPAC NAME: (2R)-N-[(2S)-1-[(6-aminopyridin-3-yl)methylamino]-3-(3,4-difluorophenyl)-1-oxopropan-2-yl]-2-(dimethylamino)-3-methylpentanamide
SYSTEMATIC NAME: (2R)-N-[(2S)-1-[(6-azanylpyridin-3-yl)methylamino]-3-[3,4-bis(fluoranyl)phenyl]-1-oxidanylidene-propan-2-yl]-2-(dimethylamino)-3-methyl-pentanamide
MOLECULAR FORMULA: C23H31F2N5O2
MOLECULAR WEIGHT: 447.521346
SMILES: CCC(C)[C@H](C(=O)N[C@@H](CC1=CC(=C(C=C1)F)F)C(=O)NCC2=CN=C(C=C2)N)N(C)C
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Product OPENEYE NAME: 1-[1-(pyridine-3-carbonyl)-4-piperidyl]-3-[3-(trifluoromethoxy)phenyl]urea
CAS Name: 1-[1-[oxo(3-pyridinyl)methyl]-4-piperidinyl]-3-[3-(trifluoromethoxy)phenyl]urea
IUPAC NAME: 1-[1-(pyridine-3-carbonyl)piperidin-4-yl]-3-[3-(trifluoromethoxy)phenyl]urea
SYSTEMATIC NAME: 1-(1-pyridin-3-ylcarbonylpiperidin-4-yl)-3-[3-(trifluoromethyloxy)phenyl]urea
MOLECULAR FORMULA: C19H19F3N4O3
MOLECULAR WEIGHT: 408.37437
SMILES: C1CN(CCC1NC(=O)NC2=CC(=CC=C2)OC(F)(F)F)C(=O)C3=CN=CC=C3
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