N-[(1S)-1-(3-chloro-4-methylphenyl)-2-hydroxyethyl]-3-(oxan-4-ylamino)isoquinoline-6-carboxamide;N-[(1S)-1-(3-chloro-4-methylphenyl)-2-hydroxyethyl]-3-(oxolan-3-ylamino)isoquinoline-6-carboxamide;3-[(2,5-dimethylpyrazol-3-yl)amino]-N-[(S)-(3-fluoro-4-methoxyphenyl)-(1-methylpyrazol-4-yl)methyl]isoquinoline-6-carboxamide;N-[(1S)-1-(3-fluoro-4-methoxyphenyl)-2-hydroxyethyl]-3-[(2-methylpyrazol-3-yl)amino]isoquinoline-6-carboxamide;(3S)-3-(4-fluoro-3-methylphenyl)-4-hydroxy-1-[3-(oxolan-3-ylamino)isoquinolin-6-yl]butan-1-one;N-[(1S)-2-hydroxy-1-(3-methylphenyl)ethyl]-3-(oxan-4-ylamino)isoquinoline-6-carboxamide;N-[(1S)-2-hydroxy-1-(4-methylphenyl)ethyl]-3-(oxan-4-ylamino)isoquinoline-6-carboxamide

C169H177Cl2F3N26O20 — CID 158733541

IUPACN-[(1S)-1-(3-chloro-4-methylphenyl)-2-hydroxyethyl]-3-(oxan-4-ylamino)isoquinoline-6-carboxamide;N-[(1S)-1-(3-chloro-4-methylphenyl)-2-hydroxyethyl]-3-(oxolan-3-ylamino)isoquinoline-6-carboxamide;3-[(2,5-dimethylpyrazol-3-yl)amino]-N-[(S)-(3-fluoro-4-methoxyphenyl)-(1-methylpyrazol-4-yl)methyl]isoquinoline-6-carboxamide;N-[(1S)-1-(3-fluoro-4-methoxyphenyl)-2-hydroxyethyl]-3-[(2-methylpyrazol-3-yl)amino]isoquinoline-6-carboxamide;(3S)-3-(4-fluoro-3-methylphenyl)-4-hydroxy-1-[3-(oxolan-3-ylamino)isoquinolin-6-yl]butan-1-one;N-[(1S)-2-hydroxy-1-(3-methylphenyl)ethyl]-3-(oxan-4-ylamino)isoquinoline-6-carboxamide;N-[(1S)-2-hydroxy-1-(4-methylphenyl)ethyl]-3-(oxan-4-ylamino)isoquinoline-6-carboxamide
SMILESCOc1ccc([C@@H](CO)NC(=O)c2ccc3cnc(Nc4ccnn4C)cc3c2)cc1F.COc1ccc([C@H](NC(=O)c2ccc3cnc(Nc4cc(C)nn4C)cc3c2)c2cnn(C)c2)cc1F.Cc1cc([C@@H](CO)CC(=O)c2ccc3cnc(NC4CCOC4)cc3c2)ccc1F.Cc1ccc([C@@H](CO)NC(=O)c2ccc3cnc(NC4CCOC4)cc3c2)cc1Cl.Cc1ccc([C@@H](CO)NC(=O)c2ccc3cnc(NC4CCOCC4)cc3c2)cc1.Cc1ccc([C@@H](CO)NC(=O)c2ccc3cnc(NC4CCOCC4)cc3c2)cc1Cl.Cc1cccc([C@@H](CO)NC(=O)c2ccc3cnc(NC4CCOCC4)cc3c2)c1
InChIInChI=1S/C27H26FN7O2.C24H26ClN3O3.C24H25FN2O3.2C24H27N3O3.C23H24ClN3O3.C23H22FN5O3/c1-16-9-25(35(3)33-16)31-24-12-20-10-18(5-6-19(20)13-29-24)27(36)32-26(21-14-30-34(2)15-21)17-7-8-23(37-4)22(28)11-17;1-15-2-3-16(11-21(15)25)22(14-29)28-24(30)17-4-5-18-13-26-23(12-19(18)10-17)27-20-6-8-31-9-7-20;1-15-8-16(4-5-22(15)25)20(13-28)10-23(29)17-2-3-18-12-26-24(11-19(18)9-17)27-21-6-7-30-14-21;1-16-2-4-17(5-3-16)22(15-28)27-24(29)18-6-7-19-14-25-23(13-20(19)12-18)26-21-8-10-30-11-9-21;1-16-3-2-4-17(11-16)22(15-28)27-24(29)18-5-6-19-14-25-23(13-20(19)12-18)26-21-7-9-30-10-8-21;1-14-2-3-15(9-20(14)24)21(12-28)27-23(29)16-4-5-17-11-25-22(10-18(17)8-16)26-19-6-7-30-13-19;1-29-22(7-8-26-29)28-21-11-17-9-15(3-4-16(17)12-25-21)23(31)27-19(13-30)14-5-6-20(32-2)18(24)10-14/h5-15,26H,1-4H3,(H,29,31)(H,32,36);2-5,10-13,20,22,29H,6-9,14H2,1H3,(H,26,27)(H,28,30);2-5,8-9,11-12,20-21,28H,6-7,10,13-14H2,1H3,(H,26,27);2-7,12-14,21-22,28H,8-11,15H2,1H3,(H,25,26)(H,27,29);2-6,11-14,21-22,28H,7-10,15H2,1H3,(H,25,26)(H,27,29);2-5,8-11,19,21,28H,6-7,12-13H2,1H3,(H,25,26)(H,27,29);3-12,19,30H,13H2,1-2H3,(H,25,28)(H,27,31)/t26-;22-;20-,21?;2*22-;19?,21-;19-/m0111111/s1
InChIKeyILJUECQJFQYRPX-IQTPSODSSA-N
MW3020.34 g/mol
LogP27.28
Rot. Bonds45

About N-[(1S)-1-(3-chloro-4-methylphenyl)-2-hydroxyethyl]-3-(oxan-4-ylamino)isoquinoline-6-carboxamide;N-[(1S)-1-(3-chloro-4-methylphenyl)-2-hydroxyethyl]-3-(oxolan-3-ylamino)isoquinoline-6-carboxamide;3-[(2,5-dimethylpyrazol-3-yl)amino]-N-[(S)-(3-fluoro-4-methoxyphenyl)-(1-methylpyrazol-4-yl)methyl]isoquinoline-6-carboxamide;N-[(1S)-1-(3-fluoro-4-methoxyphenyl)-2-hydroxyethyl]-3-[(2-methylpyrazol-3-yl)amino]isoquinoline-6-carboxamide;(3S)-3-(4-fluoro-3-methylphenyl)-4-hydroxy-1-[3-(oxolan-3-ylamino)isoquinolin-6-yl]butan-1-one;N-[(1S)-2-hydroxy-1-(3-methylphenyl)ethyl]-3-(oxan-4-ylamino)isoquinoline-6-carboxamide;N-[(1S)-2-hydroxy-1-(4-methylphenyl)ethyl]-3-(oxan-4-ylamino)isoquinoline-6-carboxamide

N-[(1S)-1-(3-chloro-4-methylphenyl)-2-hydroxyethyl]-3-(oxan-4-ylamino)isoquinoline-6-carboxamide;N-[(1S)-1-(3-chloro-4-methylphenyl)-2-hydroxyethyl]-3-(oxolan-3-ylamino)isoquinoline-6-carboxamide;3-[(2,5-dimethylpyrazol-3-yl)amino]-N-[(S)-(3-fluoro-4-methoxyphenyl)-(1-methylpyrazol-4-yl)methyl]isoquinoline-6-carboxamide;N-[(1S)-1-(3-fluoro-4-methoxyphenyl)-2-hydroxyethyl]-3-[(2-methylpyrazol-3-yl)amino]isoquinoline-6-carboxamide;(3S)-3-(4-fluoro-3-methylphenyl)-4-hydroxy-1-[3-(oxolan-3-ylamino)isoquinolin-6-yl]butan-1-one;N-[(1S)-2-hydroxy-1-(3-methylphenyl)ethyl]-3-(oxan-4-ylamino)isoquinoline-6-carboxamide;N-[(1S)-2-hydroxy-1-(4-methylphenyl)ethyl]-3-(oxan-4-ylamino)isoquinoline-6-carboxamide (PubChem CID 158733541) has the molecular formula C169H177Cl2F3N26O20 and a molecular weight of 3020.34 g/mol. Its IUPAC name is N-[(1S)-1-(3-chloro-4-methylphenyl)-2-hydroxyethyl]-3-(oxan-4-ylamino)isoquinoline-6-carboxamide;N-[(1S)-1-(3-chloro-4-methylphenyl)-2-hydroxyethyl]-3-(oxolan-3-ylamino)isoquinoline-6-carboxamide;3-[(2,5-dimethylpyrazol-3-yl)amino]-N-[(S)-(3-fluoro-4-methoxyphenyl)-(1-methylpyrazol-4-yl)methyl]isoquinoline-6-carboxamide;N-[(1S)-1-(3-fluoro-4-methoxyphenyl)-2-hydroxyethyl]-3-[(2-methylpyrazol-3-yl)amino]isoquinoline-6-carboxamide;(3S)-3-(4-fluoro-3-methylphenyl)-4-hydroxy-1-[3-(oxolan-3-ylamino)isoquinolin-6-yl]butan-1-one;N-[(1S)-2-hydroxy-1-(3-methylphenyl)ethyl]-3-(oxan-4-ylamino)isoquinoline-6-carboxamide;N-[(1S)-2-hydroxy-1-(4-methylphenyl)ethyl]-3-(oxan-4-ylamino)isoquinoline-6-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-(3-chloro-4-methylphenyl)-2-hydroxyethyl]-3-(oxan-4-ylamino)isoquinoline-6-carboxamide;N-[(1S)-1-(3-chloro-4-methylphenyl)-2-hydroxyethyl]-3-(oxolan-3-ylamino)isoquinoline-6-carboxamide;3-[(2,5-dimethylpyrazol-3-yl)amino]-N-[(S)-(3-fluoro-4-methoxyphenyl)-(1-methylpyrazol-4-yl)methyl]isoquinoline-6-carboxamide;N-[(1S)-1-(3-fluoro-4-methoxyphenyl)-2-hydroxyethyl]-3-[(2-methylpyrazol-3-yl)amino]isoquinoline-6-carboxamide;(3S)-3-(4-fluoro-3-methylphenyl)-4-hydroxy-1-[3-(oxolan-3-ylamino)isoquinolin-6-yl]butan-1-one;N-[(1S)-2-hydroxy-1-(3-methylphenyl)ethyl]-3-(oxan-4-ylamino)isoquinoline-6-carboxamide;N-[(1S)-2-hydroxy-1-(4-methylphenyl)ethyl]-3-(oxan-4-ylamino)isoquinoline-6-carboxamide
PubChem CID158733541
Molecular FormulaC169H177Cl2F3N26O20
Molecular Weight3020.34 g/mol
Exact Mass3017.30
IUPAC NameN-[(1S)-1-(3-chloro-4-methylphenyl)-2-hydroxyethyl]-3-(oxan-4-ylamino)isoquinoline-6-carboxamide;N-[(1S)-1-(3-chloro-4-methylphenyl)-2-hydroxyethyl]-3-(oxolan-3-ylamino)isoquinoline-6-carboxamide;3-[(2,5-dimethylpyrazol-3-yl)amino]-N-[(S)-(3-fluoro-4-methoxyphenyl)-(1-methylpyrazol-4-yl)methyl]isoquinoline-6-carboxamide;N-[(1S)-1-(3-fluoro-4-methoxyphenyl)-2-hydroxyethyl]-3-[(2-methylpyrazol-3-yl)amino]isoquinoline-6-carboxamide;(3S)-3-(4-fluoro-3-methylphenyl)-4-hydroxy-1-[3-(oxolan-3-ylamino)isoquinolin-6-yl]butan-1-one;N-[(1S)-2-hydroxy-1-(3-methylphenyl)ethyl]-3-(oxan-4-ylamino)isoquinoline-6-carboxamide;N-[(1S)-2-hydroxy-1-(4-methylphenyl)ethyl]-3-(oxan-4-ylamino)isoquinoline-6-carboxamide
SMILESCOc1ccc([C@@H](CO)NC(=O)c2ccc3cnc(Nc4ccnn4C)cc3c2)cc1F.COc1ccc([C@H](NC(=O)c2ccc3cnc(Nc4cc(C)nn4C)cc3c2)c2cnn(C)c2)cc1F.Cc1cc([C@@H](CO)CC(=O)c2ccc3cnc(NC4CCOC4)cc3c2)ccc1F.Cc1ccc([C@@H](CO)NC(=O)c2ccc3cnc(NC4CCOC4)cc3c2)cc1Cl.Cc1ccc([C@@H](CO)NC(=O)c2ccc3cnc(NC4CCOCC4)cc3c2)cc1.Cc1ccc([C@@H](CO)NC(=O)c2ccc3cnc(NC4CCOCC4)cc3c2)cc1Cl.Cc1cccc([C@@H](CO)NC(=O)c2ccc3cnc(NC4CCOCC4)cc3c2)c1
InChIInChI=1S/C27H26FN7O2.C24H26ClN3O3.C24H25FN2O3.2C24H27N3O3.C23H24ClN3O3.C23H22FN5O3/c1-16-9-25(35(3)33-16)31-24-12-20-10-18(5-6-19(20)13-29-24)27(36)32-26(21-14-30-34(2)15-21)17-7-8-23(37-4)22(28)11-17;1-15-2-3-16(11-21(15)25)22(14-29)28-24(30)17-4-5-18-13-26-23(12-19(18)10-17)27-20-6-8-31-9-7-20;1-15-8-16(4-5-22(15)25)20(13-28)10-23(29)17-2-3-18-12-26-24(11-19(18)9-17)27-21-6-7-30-14-21;1-16-2-4-17(5-3-16)22(15-28)27-24(29)18-6-7-19-14-25-23(13-20(19)12-18)26-21-8-10-30-11-9-21;1-16-3-2-4-17(11-16)22(15-28)27-24(29)18-5-6-19-14-25-23(13-20(19)12-18)26-21-7-9-30-10-8-21;1-14-2-3-15(9-20(14)24)21(12-28)27-23(29)16-4-5-17-11-25-22(10-18(17)8-16)26-19-6-7-30-13-19;1-29-22(7-8-26-29)28-21-11-17-9-15(3-4-16(17)12-25-21)23(31)27-19(13-30)14-5-6-20(32-2)18(24)10-14/h5-15,26H,1-4H3,(H,29,31)(H,32,36);2-5,10-13,20,22,29H,6-9,14H2,1H3,(H,26,27)(H,28,30);2-5,8-9,11-12,20-21,28H,6-7,10,13-14H2,1H3,(H,26,27);2-7,12-14,21-22,28H,8-11,15H2,1H3,(H,25,26)(H,27,29);2-6,11-14,21-22,28H,7-10,15H2,1H3,(H,25,26)(H,27,29);2-5,8-11,19,21,28H,6-7,12-13H2,1H3,(H,25,26)(H,27,29);3-12,19,30H,13H2,1-2H3,(H,25,28)(H,27,31)/t26-;22-;20-,21?;2*22-;19?,21-;19-/m0111111/s1
InChIKeyILJUECQJFQYRPX-IQTPSODSSA-N
XLogP27.28
TPSA605.56 Ų
H-Bond Donors19
H-Bond Acceptors40
Rotatable Bonds45
Heavy Atoms220
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003020.34
LogP ≤ 527.28
H-Bond Donors ≤ 519
H-Bond Acceptors ≤ 1040

Analyze N-[(1S)-1-(3-chloro-4-methylphenyl)-2-hydroxyethyl]-3-(oxan-4-ylamino)isoquinoline-6-carboxamide;N-[(1S)-1-(3-chloro-4-methylphenyl)-2-hydroxyethyl]-3-(oxolan-3-ylamino)isoquinoline-6-carboxamide;3-[(2,5-dimethylpyrazol-3-yl)amino]-N-[(S)-(3-fluoro-4-methoxyphenyl)-(1-methylpyrazol-4-yl)methyl]isoquinoline-6-carboxamide;N-[(1S)-1-(3-fluoro-4-methoxyphenyl)-2-hydroxyethyl]-3-[(2-methylpyrazol-3-yl)amino]isoquinoline-6-carboxamide;(3S)-3-(4-fluoro-3-methylphenyl)-4-hydroxy-1-[3-(oxolan-3-ylamino)isoquinolin-6-yl]butan-1-one;N-[(1S)-2-hydroxy-1-(3-methylphenyl)ethyl]-3-(oxan-4-ylamino)isoquinoline-6-carboxamide;N-[(1S)-2-hydroxy-1-(4-methylphenyl)ethyl]-3-(oxan-4-ylamino)isoquinoline-6-carboxamide with MolForge

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Related Compounds

CID 157289626
CID 157289626
N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2-hydroxybenzamide;N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-3-(1-hydroxyethenyl)benzamide;N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-3-(1-methoxyethenyl)benzamide;N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]prop-2-enamide;2-(2-chlorophenyl)-1-[3-methoxy-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]ethanone;2-(2,6-difluorophenyl)-1-[3-methoxy-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]ethanone
CID 158328054
N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2-hydroxybenzamide;N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-3-(1-hydroxyethenyl)benzamide;N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]prop-2-enamide;2-(2-chlorophenyl)-1-[3-methoxy-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]ethanone;2-(2,6-difluorophenyl)-1-[3-methoxy-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]ethanone
CID 159513649
CID 162041747
CID 162041747
N-[(3S,4R)-4-(4-chloro-3-fluoro-3-methylcyclohexa-1,5-dien-1-yl)-1-[2-[(3S,4R)-3-[[3-[(2,5-dimethylpyrazol-3-yl)amino]isoquinoline-6-carbonyl]amino]-4-(4-methoxyphenyl)pyrrolidin-1-yl]ethyl]pyrrolidin-3-yl]-2-(oxan-4-ylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide
CID 168198146
CID 157118553
CID 157118553
N-[(1S)-1-(3-chloro-4-methylphenyl)-2-hydroxyethyl]-3-[[(3S,4S)-3-fluorooxan-4-yl]amino]isoquinoline-6-carboxamide;N-[(1S)-1-(3-fluoro-4-methylphenyl)-2-hydroxyethyl]-3-[[(3S,4S)-3-fluorooxan-4-yl]amino]isoquinoline-6-carboxamide;N-[(1S)-1-(4-fluoro-3-methylphenyl)-2-hydroxyethyl]-3-[[(3S,4S)-3-fluorooxan-4-yl]amino]isoquinoline-6-carboxamide;(3R)-3-(3-fluoro-4-methylphenyl)-1-[3-[[(2S)-1-hydroxypropan-2-yl]amino]isoquinolin-6-yl]-3-(1-methylpyrazol-3-yl)propan-1-one;N-[(R)-(3-fluoro-4-methylphenyl)-(1-methylpyrazol-3-yl)methyl]-3-(oxan-4-ylamino)isoquinoline-6-carboxamide;N-[(S)-(3-fluoro-4-methylphenyl)-(1-methylpyrazol-3-yl)methyl]-3-(oxolan-3-ylamino)isoquinoline-6-carboxamide
CID 157183034
N-[(3-chlorophenyl)methyl]-3-[2-oxo-2-(3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl)ethyl]benzamide;N-[(2R)-1-hydroxy-3-methylbutan-2-yl]-3-[2-oxo-2-(3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl)ethyl]benzamide;N-[2-(3-methoxyphenyl)ethyl]-3-[2-oxo-2-(3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl)ethyl]benzamide;N-[(1-methylbenzimidazol-2-yl)methyl]-3-[2-oxo-2-(3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl)ethyl]benzamide;2-[3-[4-[(4-methylphenyl)methyl]piperazine-1-carbonyl]phenyl]-1-(3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl)ethanone;N-[[(2S)-oxolan-2-yl]methyl]-3-[2-oxo-2-(3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl)ethyl]benzamide;3-[2-oxo-2-(3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl)ethyl]-N-(2-pyridin-3-ylethyl)benzamide
CID 157269877
2-chloro-N-(2-methoxyethyl)-4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzamide;4-[[6-(3,5-difluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]-7-methoxyquinoline;2-fluoro-4-[3-[1-(7-methoxyquinolin-4-yl)oxyethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N-methylbenzamide;7-methoxy-4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinazoline;7-methoxy-4-[[6-(3,4,5-trifluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]quinoline
CID 157489851
7-N-[(4-acetylphenyl)methyl]-5-N-[(3-chloro-4-fluorophenyl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetylphenyl)methyl]-5-N-[(3-chloro-4-fluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetylphenyl)methyl]-5-N-[(3,4-difluorophenyl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetylphenyl)methyl]-5-N-[(4-fluoro-3-methylphenyl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetylphenyl)methyl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-7-N-[(1S)-1-(4-methylphenyl)ethyl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
CID 157655055
N-[(1S)-1-(4-fluoro-3-methylphenyl)-2-hydroxyethyl]-3-[[(2S)-1-hydroxypropan-2-yl]amino]isoquinoline-6-carboxamide;bis(N-[(S)-(3-fluoro-4-methylphenyl)-(1-methylpyrazol-4-yl)methyl]-3-[(2-methyl-4-pyridinyl)amino]isoquinoline-6-carboxamide);N-[(3-fluoro-4-methylphenyl)-(2-methylpyrazol-3-yl)methyl]-3-(oxolan-3-ylamino)isoquinoline-6-carboxamide;N-[(1S)-2-hydroxy-1-(4-methylphenyl)ethyl]-3-[[(2S)-1-hydroxypropan-2-yl]amino]isoquinoline-6-carboxamide;(3S)-3-(4-methoxy-3-methylphenyl)-3-(1-methylpyrazol-3-yl)-1-[3-(oxan-4-ylamino)isoquinolin-6-yl]propan-1-one
CID 158105182
(2S,3R,4S)-5-[2-[4-[4-[2-[4-[[4-[1-benzyl-5-(dimethylamino)pyrazol-4-yl]pyrimidin-2-yl]amino]cyclohexyl]oxyethoxy]butanoyl]-2-methoxyphenyl]acetyl]-4-(3-chloro-2-fluorophenyl)-2-(2,2-dimethylpropyl)-3-(2-fluoro-4-methylphenyl)pyrrolidine-3-carbonitrile;(2S,3R,4S)-5-[2-[4-[4-[2-[2-[2-[4-[[4-[1-benzyl-5-(dimethylamino)pyrazol-4-yl]pyrimidin-2-yl]amino]cyclohexyl]oxyethoxy]ethoxy]ethoxy]butanoyl]-2-methoxyphenyl]acetyl]-4-(3-chloro-2-fluorophenyl)-2-(2,2-dimethylpropyl)-3-(2-fluoro-4-methylphenyl)pyrrolidine-3-carbonitrile;N-[2-[2-[2-[4-[[4-[1-benzyl-5-(dimethylamino)pyrazol-4-yl]pyrimidin-2-yl]amino]cyclohexyl]oxyethoxy]ethoxy]ethyl]-3-[2-[(3S,4R,5S)-3-(3-chloro-2-fluorophenyl)-4-cyano-5-(2,2-dimethylpropyl)-4-(2-fluoro-4-methylphenyl)pyrrolidin-2-yl]-2-oxoethyl]-4-methoxybenzamide
CID 158643268

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(3-chloro-4-methylphenyl)-2-hydroxyethyl]-3-(oxan-4-ylamino)isoquinoline-6-carboxamide;N-[(1S)-1-(3-chloro-4-methylphenyl)-2-hydroxyethyl]-3-(oxolan-3-ylamino)isoquinoline-6-carboxamide;3-[(2,5-dimethylpyrazol-3-yl)amino]-N-[(S)-(3-fluoro-4-methoxyphenyl)-(1-methylpyrazol-4-yl)methyl]isoquinoline-6-carboxamide;N-[(1S)-1-(3-fluoro-4-methoxyphenyl)-2-hydroxyethyl]-3-[(2-methylpyrazol-3-yl)amino]isoquinoline-6-carboxamide;(3S)-3-(4-fluoro-3-methylphenyl)-4-hydroxy-1-[3-(oxolan-3-ylamino)isoquinolin-6-yl]butan-1-one;N-[(1S)-2-hydroxy-1-(3-methylphenyl)ethyl]-3-(oxan-4-ylamino)isoquinoline-6-carboxamide;N-[(1S)-2-hydroxy-1-(4-methylphenyl)ethyl]-3-(oxan-4-ylamino)isoquinoline-6-carboxamide?
The IUPAC name of N-[(1S)-1-(3-chloro-4-methylphenyl)-2-hydroxyethyl]-3-(oxan-4-ylamino)isoquinoline-6-carboxamide;N-[(1S)-1-(3-chloro-4-methylphenyl)-2-hydroxyethyl]-3-(oxolan-3-ylamino)isoquinoline-6-carboxamide;3-[(2,5-dimethylpyrazol-3-yl)amino]-N-[(S)-(3-fluoro-4-methoxyphenyl)-(1-methylpyrazol-4-yl)methyl]isoquinoline-6-carboxamide;N-[(1S)-1-(3-fluoro-4-methoxyphenyl)-2-hydroxyethyl]-3-[(2-methylpyrazol-3-yl)amino]isoquinoline-6-carboxamide;(3S)-3-(4-fluoro-3-methylphenyl)-4-hydroxy-1-[3-(oxolan-3-ylamino)isoquinolin-6-yl]butan-1-one;N-[(1S)-2-hydroxy-1-(3-methylphenyl)ethyl]-3-(oxan-4-ylamino)isoquinoline-6-carboxamide;N-[(1S)-2-hydroxy-1-(4-methylphenyl)ethyl]-3-(oxan-4-ylamino)isoquinoline-6-carboxamide (CID 158733541) is N-[(1S)-1-(3-chloro-4-methylphenyl)-2-hydroxyethyl]-3-(oxan-4-ylamino)isoquinoline-6-carboxamide;N-[(1S)-1-(3-chloro-4-methylphenyl)-2-hydroxyethyl]-3-(oxolan-3-ylamino)isoquinoline-6-carboxamide;3-[(2,5-dimethylpyrazol-3-yl)amino]-N-[(S)-(3-fluoro-4-methoxyphenyl)-(1-methylpyrazol-4-yl)methyl]isoquinoline-6-carboxamide;N-[(1S)-1-(3-fluoro-4-methoxyphenyl)-2-hydroxyethyl]-3-[(2-methylpyrazol-3-yl)amino]isoquinoline-6-carboxamide;(3S)-3-(4-fluoro-3-methylphenyl)-4-hydroxy-1-[3-(oxolan-3-ylamino)isoquinolin-6-yl]butan-1-one;N-[(1S)-2-hydroxy-1-(3-methylphenyl)ethyl]-3-(oxan-4-ylamino)isoquinoline-6-carboxamide;N-[(1S)-2-hydroxy-1-(4-methylphenyl)ethyl]-3-(oxan-4-ylamino)isoquinoline-6-carboxamide.
What is the SMILES notation for N-[(1S)-1-(3-chloro-4-methylphenyl)-2-hydroxyethyl]-3-(oxan-4-ylamino)isoquinoline-6-carboxamide;N-[(1S)-1-(3-chloro-4-methylphenyl)-2-hydroxyethyl]-3-(oxolan-3-ylamino)isoquinoline-6-carboxamide;3-[(2,5-dimethylpyrazol-3-yl)amino]-N-[(S)-(3-fluoro-4-methoxyphenyl)-(1-methylpyrazol-4-yl)methyl]isoquinoline-6-carboxamide;N-[(1S)-1-(3-fluoro-4-methoxyphenyl)-2-hydroxyethyl]-3-[(2-methylpyrazol-3-yl)amino]isoquinoline-6-carboxamide;(3S)-3-(4-fluoro-3-methylphenyl)-4-hydroxy-1-[3-(oxolan-3-ylamino)isoquinolin-6-yl]butan-1-one;N-[(1S)-2-hydroxy-1-(3-methylphenyl)ethyl]-3-(oxan-4-ylamino)isoquinoline-6-carboxamide;N-[(1S)-2-hydroxy-1-(4-methylphenyl)ethyl]-3-(oxan-4-ylamino)isoquinoline-6-carboxamide?
The canonical SMILES for N-[(1S)-1-(3-chloro-4-methylphenyl)-2-hydroxyethyl]-3-(oxan-4-ylamino)isoquinoline-6-carboxamide;N-[(1S)-1-(3-chloro-4-methylphenyl)-2-hydroxyethyl]-3-(oxolan-3-ylamino)isoquinoline-6-carboxamide;3-[(2,5-dimethylpyrazol-3-yl)amino]-N-[(S)-(3-fluoro-4-methoxyphenyl)-(1-methylpyrazol-4-yl)methyl]isoquinoline-6-carboxamide;N-[(1S)-1-(3-fluoro-4-methoxyphenyl)-2-hydroxyethyl]-3-[(2-methylpyrazol-3-yl)amino]isoquinoline-6-carboxamide;(3S)-3-(4-fluoro-3-methylphenyl)-4-hydroxy-1-[3-(oxolan-3-ylamino)isoquinolin-6-yl]butan-1-one;N-[(1S)-2-hydroxy-1-(3-methylphenyl)ethyl]-3-(oxan-4-ylamino)isoquinoline-6-carboxamide;N-[(1S)-2-hydroxy-1-(4-methylphenyl)ethyl]-3-(oxan-4-ylamino)isoquinoline-6-carboxamide is COc1ccc([C@@H](CO)NC(=O)c2ccc3cnc(Nc4ccnn4C)cc3c2)cc1F.COc1ccc([C@H](NC(=O)c2ccc3cnc(Nc4cc(C)nn4C)cc3c2)c2cnn(C)c2)cc1F.Cc1cc([C@@H](CO)CC(=O)c2ccc3cnc(NC4CCOC4)cc3c2)ccc1F.Cc1ccc([C@@H](CO)NC(=O)c2ccc3cnc(NC4CCOC4)cc3c2)cc1Cl.Cc1ccc([C@@H](CO)NC(=O)c2ccc3cnc(NC4CCOCC4)cc3c2)cc1.Cc1ccc([C@@H](CO)NC(=O)c2ccc3cnc(NC4CCOCC4)cc3c2)cc1Cl.Cc1cccc([C@@H](CO)NC(=O)c2ccc3cnc(NC4CCOCC4)cc3c2)c1.
What is the InChIKey of N-[(1S)-1-(3-chloro-4-methylphenyl)-2-hydroxyethyl]-3-(oxan-4-ylamino)isoquinoline-6-carboxamide;N-[(1S)-1-(3-chloro-4-methylphenyl)-2-hydroxyethyl]-3-(oxolan-3-ylamino)isoquinoline-6-carboxamide;3-[(2,5-dimethylpyrazol-3-yl)amino]-N-[(S)-(3-fluoro-4-methoxyphenyl)-(1-methylpyrazol-4-yl)methyl]isoquinoline-6-carboxamide;N-[(1S)-1-(3-fluoro-4-methoxyphenyl)-2-hydroxyethyl]-3-[(2-methylpyrazol-3-yl)amino]isoquinoline-6-carboxamide;(3S)-3-(4-fluoro-3-methylphenyl)-4-hydroxy-1-[3-(oxolan-3-ylamino)isoquinolin-6-yl]butan-1-one;N-[(1S)-2-hydroxy-1-(3-methylphenyl)ethyl]-3-(oxan-4-ylamino)isoquinoline-6-carboxamide;N-[(1S)-2-hydroxy-1-(4-methylphenyl)ethyl]-3-(oxan-4-ylamino)isoquinoline-6-carboxamide?
The InChIKey is ILJUECQJFQYRPX-IQTPSODSSA-N. The full InChI is InChI=1S/C27H26FN7O2.C24H26ClN3O3.C24H25FN2O3.2C24H27N3O3.C23H24ClN3O3.C23H22FN5O3/c1-16-9-25(35(3)33-16)31-24-12-20-10-18(5-6-19(20)13-29-24)27(36)32-26(21-14-30-34(2)15-21)17-7-8-23(37-4)22(28)11-17;1-15-2-3-16(11-21(15)25)22(14-29)28-24(30)17-4-5-18-13-26-23(12-19(18)10-17)27-20-6-8-31-9-7-20;1-15-8-16(4-5-22(15)25)20(13-28)10-23(29)17-2-3-18-12-26-24(11-19(18)9-17)27-21-6-7-30-14-21;1-16-2-4-17(5-3-16)22(15-28)27-24(29)18-6-7-19-14-25-23(13-20(19)12-18)26-21-8-10-30-11-9-21;1-16-3-2-4-17(11-16)22(15-28)27-24(29)18-5-6-19-14-25-23(13-20(19)12-18)26-21-7-9-30-10-8-21;1-14-2-3-15(9-20(14)24)21(12-28)27-23(29)16-4-5-17-11-25-22(10-18(17)8-16)26-19-6-7-30-13-19;1-29-22(7-8-26-29)28-21-11-17-9-15(3-4-16(17)12-25-21)23(31)27-19(13-30)14-5-6-20(32-2)18(24)10-14/h5-15,26H,1-4H3,(H,29,31)(H,32,36);2-5,10-13,20,22,29H,6-9,14H2,1H3,(H,26,27)(H,28,30);2-5,8-9,11-12,20-21,28H,6-7,10,13-14H2,1H3,(H,26,27);2-7,12-14,21-22,28H,8-11,15H2,1H3,(H,25,26)(H,27,29);2-6,11-14,21-22,28H,7-10,15H2,1H3,(H,25,26)(H,27,29);2-5,8-11,19,21,28H,6-7,12-13H2,1H3,(H,25,26)(H,27,29);3-12,19,30H,13H2,1-2H3,(H,25,28)(H,27,31)/t26-;22-;20-,21?;2*22-;19?,21-;19-/m0111111/s1.
What are the key properties of N-[(1S)-1-(3-chloro-4-methylphenyl)-2-hydroxyethyl]-3-(oxan-4-ylamino)isoquinoline-6-carboxamide;N-[(1S)-1-(3-chloro-4-methylphenyl)-2-hydroxyethyl]-3-(oxolan-3-ylamino)isoquinoline-6-carboxamide;3-[(2,5-dimethylpyrazol-3-yl)amino]-N-[(S)-(3-fluoro-4-methoxyphenyl)-(1-methylpyrazol-4-yl)methyl]isoquinoline-6-carboxamide;N-[(1S)-1-(3-fluoro-4-methoxyphenyl)-2-hydroxyethyl]-3-[(2-methylpyrazol-3-yl)amino]isoquinoline-6-carboxamide;(3S)-3-(4-fluoro-3-methylphenyl)-4-hydroxy-1-[3-(oxolan-3-ylamino)isoquinolin-6-yl]butan-1-one;N-[(1S)-2-hydroxy-1-(3-methylphenyl)ethyl]-3-(oxan-4-ylamino)isoquinoline-6-carboxamide;N-[(1S)-2-hydroxy-1-(4-methylphenyl)ethyl]-3-(oxan-4-ylamino)isoquinoline-6-carboxamide?
N-[(1S)-1-(3-chloro-4-methylphenyl)-2-hydroxyethyl]-3-(oxan-4-ylamino)isoquinoline-6-carboxamide;N-[(1S)-1-(3-chloro-4-methylphenyl)-2-hydroxyethyl]-3-(oxolan-3-ylamino)isoquinoline-6-carboxamide;3-[(2,5-dimethylpyrazol-3-yl)amino]-N-[(S)-(3-fluoro-4-methoxyphenyl)-(1-methylpyrazol-4-yl)methyl]isoquinoline-6-carboxamide;N-[(1S)-1-(3-fluoro-4-methoxyphenyl)-2-hydroxyethyl]-3-[(2-methylpyrazol-3-yl)amino]isoquinoline-6-carboxamide;(3S)-3-(4-fluoro-3-methylphenyl)-4-hydroxy-1-[3-(oxolan-3-ylamino)isoquinolin-6-yl]butan-1-one;N-[(1S)-2-hydroxy-1-(3-methylphenyl)ethyl]-3-(oxan-4-ylamino)isoquinoline-6-carboxamide;N-[(1S)-2-hydroxy-1-(4-methylphenyl)ethyl]-3-(oxan-4-ylamino)isoquinoline-6-carboxamide has a molecular weight of 3020.34 g/mol, XLogP of 27.28, 45 rotatable bonds, 19 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(3-chloro-4-methylphenyl)-2-hydroxyethyl]-3-(oxan-4-ylamino)isoquinoline-6-carboxamide;N-[(1S)-1-(3-chloro-4-methylphenyl)-2-hydroxyethyl]-3-(oxolan-3-ylamino)isoquinoline-6-carboxamide;3-[(2,5-dimethylpyrazol-3-yl)amino]-N-[(S)-(3-fluoro-4-methoxyphenyl)-(1-methylpyrazol-4-yl)methyl]isoquinoline-6-carboxamide;N-[(1S)-1-(3-fluoro-4-methoxyphenyl)-2-hydroxyethyl]-3-[(2-methylpyrazol-3-yl)amino]isoquinoline-6-carboxamide;(3S)-3-(4-fluoro-3-methylphenyl)-4-hydroxy-1-[3-(oxolan-3-ylamino)isoquinolin-6-yl]butan-1-one;N-[(1S)-2-hydroxy-1-(3-methylphenyl)ethyl]-3-(oxan-4-ylamino)isoquinoline-6-carboxamide;N-[(1S)-2-hydroxy-1-(4-methylphenyl)ethyl]-3-(oxan-4-ylamino)isoquinoline-6-carboxamide is sourced from PubChem (CID 158733541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).