4-cyclopropyl-6-methyl-N-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]pyridine-2-carboxamide;2-cyclopropyl-6-methyl-N-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]pyrimidine-4-carboxamide;6-[(3,3-difluoropyrrolidin-1-yl)methyl]-4-methyl-2-[3-[(2R)-1,1,2-trifluoro-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-3H-isoindol-1-one;6-[[(3S)-3-fluoropyrrolidin-1-yl]methyl]-4-methyl-2-[3-[(2R)-1,1,2-trifluoro-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-3H-isoindol-1-one;4-methyl-2-[3-[(1S,2R)-2-(4-methyl-1,2,4-triazol-3-yl)cyclopropyl]phenyl]-3H-isoindol-1-one;4-methyl-2-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-3H-isoindol-1-one;4-methyl-2-[3-[(2R)-1,1,2-trifluoro-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-3H-isoindol-1-one

C158H163F12N33O7 — CID 167664941

IUPAC4-cyclopropyl-6-methyl-N-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]pyridine-2-carboxamide;2-cyclopropyl-6-methyl-N-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]pyrimidine-4-carboxamide;6-[(3,3-difluoropyrrolidin-1-yl)methyl]-4-methyl-2-[3-[(2R)-1,1,2-trifluoro-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-3H-isoindol-1-one;6-[[(3S)-3-fluoropyrrolidin-1-yl]methyl]-4-methyl-2-[3-[(2R)-1,1,2-trifluoro-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-3H-isoindol-1-one;4-methyl-2-[3-[(1S,2R)-2-(4-methyl-1,2,4-triazol-3-yl)cyclopropyl]phenyl]-3H-isoindol-1-one;4-methyl-2-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-3H-isoindol-1-one;4-methyl-2-[3-[(2R)-1,1,2-trifluoro-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-3H-isoindol-1-one
SMILESCc1cc(C(=O)Nc2cccc([C@H](C)Cc3nncn3C)c2)nc(C2CC2)n1.Cc1cc(C2CC2)cc(C(=O)Nc2cccc([C@H](C)Cc3nncn3C)c2)n1.Cc1cc(CN2CCC(F)(F)C2)cc2c1CN(c1cccc([C@@](C)(F)C(F)(F)c3nncn3C)c1)C2=O.Cc1cc(CN2CC[C@H](F)C2)cc2c1CN(c1cccc([C@@](C)(F)C(F)(F)c3nncn3C)c1)C2=O.Cc1cccc2c1CN(c1cccc([C@@](C)(F)C(F)(F)c3nncn3C)c1)C2=O.Cc1cccc2c1CN(c1cccc([C@H](C)Cc3nncn3C)c1)C2=O.Cc1cccc2c1CN(c1cccc([C@H]3C[C@H]3c3nncn3C)c1)C2=O
InChIInChI=1S/C26H26F5N5O.C26H27F4N5O.C22H25N5O.C21H19F3N4O.C21H24N6O.C21H20N4O.C21H22N4O/c1-16-9-17(12-35-8-7-25(28,29)14-35)10-20-21(16)13-36(22(20)37)19-6-4-5-18(11-19)24(2,27)26(30,31)23-33-32-15-34(23)3;1-16-9-17(12-34-8-7-19(27)13-34)10-21-22(16)14-35(23(21)36)20-6-4-5-18(11-20)25(2,28)26(29,30)24-32-31-15-33(24)3;1-14(9-21-26-23-13-27(21)3)17-5-4-6-19(11-17)25-22(28)20-12-18(16-7-8-16)10-15(2)24-20;1-13-6-4-9-16-17(13)11-28(18(16)29)15-8-5-7-14(10-15)20(2,22)21(23,24)19-26-25-12-27(19)3;1-13(9-19-26-22-12-27(19)3)16-5-4-6-17(11-16)24-21(28)18-10-14(2)23-20(25-18)15-7-8-15;1-13-5-3-8-16-19(13)11-25(21(16)26)15-7-4-6-14(9-15)17-10-18(17)20-23-22-12-24(20)2;1-14-6-4-9-18-19(14)12-25(21(18)26)17-8-5-7-16(11-17)15(2)10-20-23-22-13-24(20)3/h4-6,9-11,15H,7-8,12-14H2,1-3H3;4-6,9-11,15,19H,7-8,12-14H2,1-3H3;4-6,10-14,16H,7-9H2,1-3H3,(H,25,28);4-10,12H,11H2,1-3H3;4-6,10-13,15H,7-9H2,1-3H3,(H,24,28);3-9,12,17-18H,10-11H2,1-2H3;4-9,11,13,15H,10,12H2,1-3H3/t24-;19-,25+;14-;20-;13-;17-,18-;15-/m1011111/s1
InChIKeySMLPTTQWUWWOTE-UGBXHTGNSA-N
MW2864.24 g/mol
LogP28.74
Rot. Bonds35

About 4-cyclopropyl-6-methyl-N-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]pyridine-2-carboxamide;2-cyclopropyl-6-methyl-N-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]pyrimidine-4-carboxamide;6-[(3,3-difluoropyrrolidin-1-yl)methyl]-4-methyl-2-[3-[(2R)-1,1,2-trifluoro-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-3H-isoindol-1-one;6-[[(3S)-3-fluoropyrrolidin-1-yl]methyl]-4-methyl-2-[3-[(2R)-1,1,2-trifluoro-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-3H-isoindol-1-one;4-methyl-2-[3-[(1S,2R)-2-(4-methyl-1,2,4-triazol-3-yl)cyclopropyl]phenyl]-3H-isoindol-1-one;4-methyl-2-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-3H-isoindol-1-one;4-methyl-2-[3-[(2R)-1,1,2-trifluoro-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-3H-isoindol-1-one

4-cyclopropyl-6-methyl-N-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]pyridine-2-carboxamide;2-cyclopropyl-6-methyl-N-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]pyrimidine-4-carboxamide;6-[(3,3-difluoropyrrolidin-1-yl)methyl]-4-methyl-2-[3-[(2R)-1,1,2-trifluoro-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-3H-isoindol-1-one;6-[[(3S)-3-fluoropyrrolidin-1-yl]methyl]-4-methyl-2-[3-[(2R)-1,1,2-trifluoro-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-3H-isoindol-1-one;4-methyl-2-[3-[(1S,2R)-2-(4-methyl-1,2,4-triazol-3-yl)cyclopropyl]phenyl]-3H-isoindol-1-one;4-methyl-2-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-3H-isoindol-1-one;4-methyl-2-[3-[(2R)-1,1,2-trifluoro-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-3H-isoindol-1-one (PubChem CID 167664941) has the molecular formula C158H163F12N33O7 and a molecular weight of 2864.24 g/mol. Its IUPAC name is 4-cyclopropyl-6-methyl-N-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]pyridine-2-carboxamide;2-cyclopropyl-6-methyl-N-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]pyrimidine-4-carboxamide;6-[(3,3-difluoropyrrolidin-1-yl)methyl]-4-methyl-2-[3-[(2R)-1,1,2-trifluoro-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-3H-isoindol-1-one;6-[[(3S)-3-fluoropyrrolidin-1-yl]methyl]-4-methyl-2-[3-[(2R)-1,1,2-trifluoro-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-3H-isoindol-1-one;4-methyl-2-[3-[(1S,2R)-2-(4-methyl-1,2,4-triazol-3-yl)cyclopropyl]phenyl]-3H-isoindol-1-one;4-methyl-2-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-3H-isoindol-1-one;4-methyl-2-[3-[(2R)-1,1,2-trifluoro-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-3H-isoindol-1-one.

Molecular Properties

Compound Name4-cyclopropyl-6-methyl-N-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]pyridine-2-carboxamide;2-cyclopropyl-6-methyl-N-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]pyrimidine-4-carboxamide;6-[(3,3-difluoropyrrolidin-1-yl)methyl]-4-methyl-2-[3-[(2R)-1,1,2-trifluoro-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-3H-isoindol-1-one;6-[[(3S)-3-fluoropyrrolidin-1-yl]methyl]-4-methyl-2-[3-[(2R)-1,1,2-trifluoro-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-3H-isoindol-1-one;4-methyl-2-[3-[(1S,2R)-2-(4-methyl-1,2,4-triazol-3-yl)cyclopropyl]phenyl]-3H-isoindol-1-one;4-methyl-2-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-3H-isoindol-1-one;4-methyl-2-[3-[(2R)-1,1,2-trifluoro-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-3H-isoindol-1-one
PubChem CID167664941
Molecular FormulaC158H163F12N33O7
Molecular Weight2864.24 g/mol
Exact Mass2862.32
IUPAC Name4-cyclopropyl-6-methyl-N-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]pyridine-2-carboxamide;2-cyclopropyl-6-methyl-N-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]pyrimidine-4-carboxamide;6-[(3,3-difluoropyrrolidin-1-yl)methyl]-4-methyl-2-[3-[(2R)-1,1,2-trifluoro-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-3H-isoindol-1-one;6-[[(3S)-3-fluoropyrrolidin-1-yl]methyl]-4-methyl-2-[3-[(2R)-1,1,2-trifluoro-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-3H-isoindol-1-one;4-methyl-2-[3-[(1S,2R)-2-(4-methyl-1,2,4-triazol-3-yl)cyclopropyl]phenyl]-3H-isoindol-1-one;4-methyl-2-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-3H-isoindol-1-one;4-methyl-2-[3-[(2R)-1,1,2-trifluoro-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-3H-isoindol-1-one
SMILESCc1cc(C(=O)Nc2cccc([C@H](C)Cc3nncn3C)c2)nc(C2CC2)n1.Cc1cc(C2CC2)cc(C(=O)Nc2cccc([C@H](C)Cc3nncn3C)c2)n1.Cc1cc(CN2CCC(F)(F)C2)cc2c1CN(c1cccc([C@@](C)(F)C(F)(F)c3nncn3C)c1)C2=O.Cc1cc(CN2CC[C@H](F)C2)cc2c1CN(c1cccc([C@@](C)(F)C(F)(F)c3nncn3C)c1)C2=O.Cc1cccc2c1CN(c1cccc([C@@](C)(F)C(F)(F)c3nncn3C)c1)C2=O.Cc1cccc2c1CN(c1cccc([C@H](C)Cc3nncn3C)c1)C2=O.Cc1cccc2c1CN(c1cccc([C@H]3C[C@H]3c3nncn3C)c1)C2=O
InChIInChI=1S/C26H26F5N5O.C26H27F4N5O.C22H25N5O.C21H19F3N4O.C21H24N6O.C21H20N4O.C21H22N4O/c1-16-9-17(12-35-8-7-25(28,29)14-35)10-20-21(16)13-36(22(20)37)19-6-4-5-18(11-19)24(2,27)26(30,31)23-33-32-15-34(23)3;1-16-9-17(12-34-8-7-19(27)13-34)10-21-22(16)14-35(23(21)36)20-6-4-5-18(11-20)25(2,28)26(29,30)24-32-31-15-33(24)3;1-14(9-21-26-23-13-27(21)3)17-5-4-6-19(11-17)25-22(28)20-12-18(16-7-8-16)10-15(2)24-20;1-13-6-4-9-16-17(13)11-28(18(16)29)15-8-5-7-14(10-15)20(2,22)21(23,24)19-26-25-12-27(19)3;1-13(9-19-26-22-12-27(19)3)16-5-4-6-17(11-16)24-21(28)18-10-14(2)23-20(25-18)15-7-8-15;1-13-5-3-8-16-19(13)11-25(21(16)26)15-7-4-6-14(9-15)17-10-18(17)20-23-22-12-24(20)2;1-14-6-4-9-18-19(14)12-25(21(18)26)17-8-5-7-16(11-17)15(2)10-20-23-22-13-24(20)3/h4-6,9-11,15H,7-8,12-14H2,1-3H3;4-6,9-11,15,19H,7-8,12-14H2,1-3H3;4-6,10-14,16H,7-9H2,1-3H3,(H,25,28);4-10,12H,11H2,1-3H3;4-6,10-13,15H,7-9H2,1-3H3,(H,24,28);3-9,12,17-18H,10-11H2,1-2H3;4-9,11,13,15H,10,12H2,1-3H3/t24-;19-,25+;14-;20-;13-;17-,18-;15-/m1011111/s1
InChIKeySMLPTTQWUWWOTE-UGBXHTGNSA-N
XLogP28.74
TPSA419.87 Ų
H-Bond Donors2
H-Bond Acceptors33
Rotatable Bonds35
Heavy Atoms210
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002864.24
LogP ≤ 528.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1033

Analyze 4-cyclopropyl-6-methyl-N-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]pyridine-2-carboxamide;2-cyclopropyl-6-methyl-N-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]pyrimidine-4-carboxamide;6-[(3,3-difluoropyrrolidin-1-yl)methyl]-4-methyl-2-[3-[(2R)-1,1,2-trifluoro-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-3H-isoindol-1-one;6-[[(3S)-3-fluoropyrrolidin-1-yl]methyl]-4-methyl-2-[3-[(2R)-1,1,2-trifluoro-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-3H-isoindol-1-one;4-methyl-2-[3-[(1S,2R)-2-(4-methyl-1,2,4-triazol-3-yl)cyclopropyl]phenyl]-3H-isoindol-1-one;4-methyl-2-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-3H-isoindol-1-one;4-methyl-2-[3-[(2R)-1,1,2-trifluoro-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-3H-isoindol-1-one with MolForge

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Related Compounds

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CID 88996442
3-[2-[5-[[3-[2-[(dimethylamino)methyl]imidazol-1-yl]-5-(trifluoromethyl)phenyl]carbamoyl]-2-methylphenyl]ethynyl]-[1,2,4]triazolo[4,3-b]pyridazine-7-carboxamide;1-[3-[[3-[2-(4,7-dimethylbenzimidazol-1-yl)ethynyl]-4-methylbenzoyl]amino]-5-(trifluoromethyl)phenyl]-N-methylimidazole-4-carboxamide;N-[3-imidazol-1-yl-5-(trifluoromethyl)phenyl]-4-methyl-3-[2-(5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethynyl]benzamide
CID 157366070
(4,5-Dimethyl-3-pyrimidin-2-yl-2-pyridinyl)-[2-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;(3-fluoro-6-methyl-2-pyrimidin-2-ylphenyl)-[2-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[3-fluoro-4-methyl-2-(triazol-2-yl)phenyl]-[2-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone
CID 157367142
5-[3,3-dimethyl-1-(1-methylpyrazol-3-yl)-2-oxoindol-4-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-(3,3-dimethyl-2-oxo-1-pyridin-2-ylpyrrolo[2,3-b]pyridin-4-yl)-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-N-phenyl-2-(trifluoromethyl)benzamide
CID 157505413
4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-N-(2-phenylethyl)benzamide;4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-N-[2-(1-phenylpyrazol-4-yl)ethyl]benzamide;4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide
CID 157510763
N-[4-[(cyclopropylamino)methyl]-3-(trifluoromethyl)phenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylbenzamide;N-[3-[2-(dimethylamino)ethyl]-5-(trifluoromethyl)phenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylbenzamide;3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-N-[3-(2-imidazol-1-ylethyl)-5-(trifluoromethyl)phenyl]-4-methylbenzamide;3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methyl-N-[3-(2-morpholin-4-ylethyl)-5-(trifluoromethyl)phenyl]benzamide;3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methyl-N-[3-(2-piperidin-1-ylethyl)-5-(trifluoromethyl)phenyl]benzamide;3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methyl-N-[3-(2-pyrrolidin-1-ylethyl)-5-(trifluoromethyl)phenyl]benzamide
CID 157779105
3-(4-methylimidazol-1-yl)-N-[4-methyl-3-[2-[8-[(1-methylpyrazol-4-yl)amino]imidazo[1,2-a]pyrazin-3-yl]ethynyl]phenyl]-5-(trifluoromethyl)benzamide;bis(N-[4-methyl-3-[2-[8-[(1-methylpyrazol-4-yl)amino]imidazo[1,2-a]pyrazin-3-yl]ethynyl]phenyl]-3-(trifluoromethyl)benzamide);1-[4-methyl-3-[2-[8-[(1-methylpyrazol-4-yl)amino]imidazo[1,2-a]pyrazin-3-yl]ethynyl]phenyl]-2-[3-(trifluoromethyl)phenyl]ethanone
CID 157789201
N-cyclopropyl-4-[6-(2,3-difluorobenzoyl)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazin-3-yl]-2-methylbenzamide;N-cyclopropyl-4-[6-[1-(2,3-difluorophenyl)ethenyl]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazin-3-yl]-2-methylbenzamide
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N-[2-[2-(difluoromethyl)phenyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]-1-methylimidazole-2-carboxamide;N-[2-[5-fluoro-2-(trifluoromethyl)phenyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]-1-methylimidazole-2-carboxamide;N-[2-[5-fluoro-2-(trifluoromethyl)phenyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;2-methyl-N-[2-(2-methylphenyl)-1H-pyrrolo[3,2-c]pyridin-6-yl]pyrazole-3-carboxamide;2-methyl-N-[2-[2-(trifluoromethyl)phenyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]pyrazole-3-carboxamide;2-methyl-N-[2-[2-(trifluoromethyl)phenyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]-1,2,4-triazole-3-carboxamide;N-[2-[2-(trifluoromethyl)phenyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]pyridine-2-carboxamide
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5-[3,3-dimethyl-1-(1-methylpyrazol-4-yl)-2-oxoindol-4-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-(3,3-dimethyl-2-oxo-1-pyridin-2-ylindol-4-yl)-2-methyl-N-(4-methylphenyl)benzamide;5-(3,3-dimethyl-2-oxo-1-pyridin-3-ylpyrrolo[2,3-b]pyridin-4-yl)-N-phenyl-2-(trifluoromethyl)benzamide;5-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-N-phenyl-2-(trifluoromethyl)benzamide
CID 158229716
5-[3,3-dimethyl-2-oxo-1-(1H-pyrazol-4-yl)indol-4-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-[3,3-dimethyl-2-oxo-1-(1H-pyrazol-5-yl)indol-4-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-2-methyl-N-(4-methylphenyl)benzamide;6-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-3-methyl-N-(4-methylphenyl)pyridine-2-carboxamide
CID 158258598
3-[2-[4-amino-1-[(2S)-3-hydroxy-2-methylpropyl]pyrazolo[3,4-d]pyrimidin-3-yl]ethynyl]-N-[3-(1,1-difluoroethyl)phenyl]-4-methylbenzamide;3-[2-[4-amino-1-[(1-methylpiperidin-4-yl)methyl]pyrazolo[3,4-d]pyrimidin-3-yl]ethynyl]-N-[3-(1,1-difluoroethyl)phenyl]-4-methylbenzamide;3-[2-[4-amino-1-[(1-methylpyrrolidin-3-yl)methyl]pyrazolo[3,4-d]pyrimidin-3-yl]ethynyl]-N-[3-(1,1-difluoroethyl)phenyl]-4-methylbenzamide;3-[2-[4-amino-1-[(3R)-1-methylpyrrolidin-3-yl]pyrazolo[3,4-d]pyrimidin-3-yl]ethynyl]-N-[3-(1,1-difluoroethyl)phenyl]-4-methylbenzamide;hydrochloride
CID 158259665

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-6-methyl-N-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]pyridine-2-carboxamide;2-cyclopropyl-6-methyl-N-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]pyrimidine-4-carboxamide;6-[(3,3-difluoropyrrolidin-1-yl)methyl]-4-methyl-2-[3-[(2R)-1,1,2-trifluoro-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-3H-isoindol-1-one;6-[[(3S)-3-fluoropyrrolidin-1-yl]methyl]-4-methyl-2-[3-[(2R)-1,1,2-trifluoro-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-3H-isoindol-1-one;4-methyl-2-[3-[(1S,2R)-2-(4-methyl-1,2,4-triazol-3-yl)cyclopropyl]phenyl]-3H-isoindol-1-one;4-methyl-2-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-3H-isoindol-1-one;4-methyl-2-[3-[(2R)-1,1,2-trifluoro-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-3H-isoindol-1-one?
The IUPAC name of 4-cyclopropyl-6-methyl-N-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]pyridine-2-carboxamide;2-cyclopropyl-6-methyl-N-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]pyrimidine-4-carboxamide;6-[(3,3-difluoropyrrolidin-1-yl)methyl]-4-methyl-2-[3-[(2R)-1,1,2-trifluoro-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-3H-isoindol-1-one;6-[[(3S)-3-fluoropyrrolidin-1-yl]methyl]-4-methyl-2-[3-[(2R)-1,1,2-trifluoro-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-3H-isoindol-1-one;4-methyl-2-[3-[(1S,2R)-2-(4-methyl-1,2,4-triazol-3-yl)cyclopropyl]phenyl]-3H-isoindol-1-one;4-methyl-2-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-3H-isoindol-1-one;4-methyl-2-[3-[(2R)-1,1,2-trifluoro-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-3H-isoindol-1-one (CID 167664941) is 4-cyclopropyl-6-methyl-N-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]pyridine-2-carboxamide;2-cyclopropyl-6-methyl-N-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]pyrimidine-4-carboxamide;6-[(3,3-difluoropyrrolidin-1-yl)methyl]-4-methyl-2-[3-[(2R)-1,1,2-trifluoro-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-3H-isoindol-1-one;6-[[(3S)-3-fluoropyrrolidin-1-yl]methyl]-4-methyl-2-[3-[(2R)-1,1,2-trifluoro-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-3H-isoindol-1-one;4-methyl-2-[3-[(1S,2R)-2-(4-methyl-1,2,4-triazol-3-yl)cyclopropyl]phenyl]-3H-isoindol-1-one;4-methyl-2-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-3H-isoindol-1-one;4-methyl-2-[3-[(2R)-1,1,2-trifluoro-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-3H-isoindol-1-one.
What is the SMILES notation for 4-cyclopropyl-6-methyl-N-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]pyridine-2-carboxamide;2-cyclopropyl-6-methyl-N-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]pyrimidine-4-carboxamide;6-[(3,3-difluoropyrrolidin-1-yl)methyl]-4-methyl-2-[3-[(2R)-1,1,2-trifluoro-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-3H-isoindol-1-one;6-[[(3S)-3-fluoropyrrolidin-1-yl]methyl]-4-methyl-2-[3-[(2R)-1,1,2-trifluoro-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-3H-isoindol-1-one;4-methyl-2-[3-[(1S,2R)-2-(4-methyl-1,2,4-triazol-3-yl)cyclopropyl]phenyl]-3H-isoindol-1-one;4-methyl-2-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-3H-isoindol-1-one;4-methyl-2-[3-[(2R)-1,1,2-trifluoro-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-3H-isoindol-1-one?
The canonical SMILES for 4-cyclopropyl-6-methyl-N-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]pyridine-2-carboxamide;2-cyclopropyl-6-methyl-N-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]pyrimidine-4-carboxamide;6-[(3,3-difluoropyrrolidin-1-yl)methyl]-4-methyl-2-[3-[(2R)-1,1,2-trifluoro-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-3H-isoindol-1-one;6-[[(3S)-3-fluoropyrrolidin-1-yl]methyl]-4-methyl-2-[3-[(2R)-1,1,2-trifluoro-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-3H-isoindol-1-one;4-methyl-2-[3-[(1S,2R)-2-(4-methyl-1,2,4-triazol-3-yl)cyclopropyl]phenyl]-3H-isoindol-1-one;4-methyl-2-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-3H-isoindol-1-one;4-methyl-2-[3-[(2R)-1,1,2-trifluoro-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-3H-isoindol-1-one is Cc1cc(C(=O)Nc2cccc([C@H](C)Cc3nncn3C)c2)nc(C2CC2)n1.Cc1cc(C2CC2)cc(C(=O)Nc2cccc([C@H](C)Cc3nncn3C)c2)n1.Cc1cc(CN2CCC(F)(F)C2)cc2c1CN(c1cccc([C@@](C)(F)C(F)(F)c3nncn3C)c1)C2=O.Cc1cc(CN2CC[C@H](F)C2)cc2c1CN(c1cccc([C@@](C)(F)C(F)(F)c3nncn3C)c1)C2=O.Cc1cccc2c1CN(c1cccc([C@@](C)(F)C(F)(F)c3nncn3C)c1)C2=O.Cc1cccc2c1CN(c1cccc([C@H](C)Cc3nncn3C)c1)C2=O.Cc1cccc2c1CN(c1cccc([C@H]3C[C@H]3c3nncn3C)c1)C2=O.
What is the InChIKey of 4-cyclopropyl-6-methyl-N-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]pyridine-2-carboxamide;2-cyclopropyl-6-methyl-N-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]pyrimidine-4-carboxamide;6-[(3,3-difluoropyrrolidin-1-yl)methyl]-4-methyl-2-[3-[(2R)-1,1,2-trifluoro-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-3H-isoindol-1-one;6-[[(3S)-3-fluoropyrrolidin-1-yl]methyl]-4-methyl-2-[3-[(2R)-1,1,2-trifluoro-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-3H-isoindol-1-one;4-methyl-2-[3-[(1S,2R)-2-(4-methyl-1,2,4-triazol-3-yl)cyclopropyl]phenyl]-3H-isoindol-1-one;4-methyl-2-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-3H-isoindol-1-one;4-methyl-2-[3-[(2R)-1,1,2-trifluoro-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-3H-isoindol-1-one?
The InChIKey is SMLPTTQWUWWOTE-UGBXHTGNSA-N. The full InChI is InChI=1S/C26H26F5N5O.C26H27F4N5O.C22H25N5O.C21H19F3N4O.C21H24N6O.C21H20N4O.C21H22N4O/c1-16-9-17(12-35-8-7-25(28,29)14-35)10-20-21(16)13-36(22(20)37)19-6-4-5-18(11-19)24(2,27)26(30,31)23-33-32-15-34(23)3;1-16-9-17(12-34-8-7-19(27)13-34)10-21-22(16)14-35(23(21)36)20-6-4-5-18(11-20)25(2,28)26(29,30)24-32-31-15-33(24)3;1-14(9-21-26-23-13-27(21)3)17-5-4-6-19(11-17)25-22(28)20-12-18(16-7-8-16)10-15(2)24-20;1-13-6-4-9-16-17(13)11-28(18(16)29)15-8-5-7-14(10-15)20(2,22)21(23,24)19-26-25-12-27(19)3;1-13(9-19-26-22-12-27(19)3)16-5-4-6-17(11-16)24-21(28)18-10-14(2)23-20(25-18)15-7-8-15;1-13-5-3-8-16-19(13)11-25(21(16)26)15-7-4-6-14(9-15)17-10-18(17)20-23-22-12-24(20)2;1-14-6-4-9-18-19(14)12-25(21(18)26)17-8-5-7-16(11-17)15(2)10-20-23-22-13-24(20)3/h4-6,9-11,15H,7-8,12-14H2,1-3H3;4-6,9-11,15,19H,7-8,12-14H2,1-3H3;4-6,10-14,16H,7-9H2,1-3H3,(H,25,28);4-10,12H,11H2,1-3H3;4-6,10-13,15H,7-9H2,1-3H3,(H,24,28);3-9,12,17-18H,10-11H2,1-2H3;4-9,11,13,15H,10,12H2,1-3H3/t24-;19-,25+;14-;20-;13-;17-,18-;15-/m1011111/s1.
What are the key properties of 4-cyclopropyl-6-methyl-N-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]pyridine-2-carboxamide;2-cyclopropyl-6-methyl-N-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]pyrimidine-4-carboxamide;6-[(3,3-difluoropyrrolidin-1-yl)methyl]-4-methyl-2-[3-[(2R)-1,1,2-trifluoro-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-3H-isoindol-1-one;6-[[(3S)-3-fluoropyrrolidin-1-yl]methyl]-4-methyl-2-[3-[(2R)-1,1,2-trifluoro-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-3H-isoindol-1-one;4-methyl-2-[3-[(1S,2R)-2-(4-methyl-1,2,4-triazol-3-yl)cyclopropyl]phenyl]-3H-isoindol-1-one;4-methyl-2-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-3H-isoindol-1-one;4-methyl-2-[3-[(2R)-1,1,2-trifluoro-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-3H-isoindol-1-one?
4-cyclopropyl-6-methyl-N-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]pyridine-2-carboxamide;2-cyclopropyl-6-methyl-N-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]pyrimidine-4-carboxamide;6-[(3,3-difluoropyrrolidin-1-yl)methyl]-4-methyl-2-[3-[(2R)-1,1,2-trifluoro-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-3H-isoindol-1-one;6-[[(3S)-3-fluoropyrrolidin-1-yl]methyl]-4-methyl-2-[3-[(2R)-1,1,2-trifluoro-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-3H-isoindol-1-one;4-methyl-2-[3-[(1S,2R)-2-(4-methyl-1,2,4-triazol-3-yl)cyclopropyl]phenyl]-3H-isoindol-1-one;4-methyl-2-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-3H-isoindol-1-one;4-methyl-2-[3-[(2R)-1,1,2-trifluoro-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-3H-isoindol-1-one has a molecular weight of 2864.24 g/mol, XLogP of 28.74, 35 rotatable bonds, 2 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-6-methyl-N-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]pyridine-2-carboxamide;2-cyclopropyl-6-methyl-N-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]pyrimidine-4-carboxamide;6-[(3,3-difluoropyrrolidin-1-yl)methyl]-4-methyl-2-[3-[(2R)-1,1,2-trifluoro-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-3H-isoindol-1-one;6-[[(3S)-3-fluoropyrrolidin-1-yl]methyl]-4-methyl-2-[3-[(2R)-1,1,2-trifluoro-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-3H-isoindol-1-one;4-methyl-2-[3-[(1S,2R)-2-(4-methyl-1,2,4-triazol-3-yl)cyclopropyl]phenyl]-3H-isoindol-1-one;4-methyl-2-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-3H-isoindol-1-one;4-methyl-2-[3-[(2R)-1,1,2-trifluoro-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-3H-isoindol-1-one is sourced from PubChem (CID 167664941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).