7-cyano-N-[[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]methyl]imidazo[1,2-a]pyridine-2-carboxamide;4-methoxy-N-[[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]phenyl]methyl]-3-(pyrazol-1-ylmethyl)benzamide;N-[[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]phenyl]methyl]-5-(2-methyl-1,3-oxazol-5-yl)thiophene-2-carboxamide;N-[[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]phenyl]methyl]-5-(1-methylpyrazol-4-yl)-1,2-oxazole-3-carboxamide;N-[[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]phenyl]methyl]-5-(1,3-oxazol-5-yl)thiophene-2-carboxamide;N-[[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]phenyl]methyl]-5-pyridin-4-ylthiophene-2-carboxamide;N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[[(3-pyridin-4-ylbenzoyl)amino]methyl]benzamide

C191H182N34O18S4 — CID 160799523

IUPAC7-cyano-N-[[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]methyl]imidazo[1,2-a]pyridine-2-carboxamide;4-methoxy-N-[[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]phenyl]methyl]-3-(pyrazol-1-ylmethyl)benzamide;N-[[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]phenyl]methyl]-5-(2-methyl-1,3-oxazol-5-yl)thiophene-2-carboxamide;N-[[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]phenyl]methyl]-5-(1-methylpyrazol-4-yl)-1,2-oxazole-3-carboxamide;N-[[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]phenyl]methyl]-5-(1,3-oxazol-5-yl)thiophene-2-carboxamide;N-[[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]phenyl]methyl]-5-pyridin-4-ylthiophene-2-carboxamide;N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[[(3-pyridin-4-ylbenzoyl)amino]methyl]benzamide
SMILESCN1CCc2ccc(NC(=O)c3cccc(CNC(=O)c4cc(-c5cnn(C)c5)on4)c3)cc2C1.CN1CCc2ccc(NC(=O)c3cccc(CNC(=O)c4ccc(-c5ccncc5)s4)c3)cc2C1.CN1CCc2ccc(NC(=O)c3cccc(CNC(=O)c4ccc(-c5cnco5)s4)c3)cc2C1.CN1CCc2ccc(NC(=O)c3cccc(CNC(=O)c4cccc(-c5ccncc5)c4)c3)cc2C1.CN1CCc2nc(NC(=O)c3cccc(CNC(=O)c4cn5ccc(C#N)cc5n4)c3)sc2C1.COc1ccc(C(=O)NCc2cccc(C(=O)Nc3ccc4c(c3)CN(C)CC4)c2)cc1Cn1cccn1.Cc1ncc(-c2ccc(C(=O)NCc3cccc(C(=O)Nc4ccc5c(c4)CN(C)CC5)c3)s2)o1
InChIInChI=1S/C30H31N5O3.C30H28N4O2.C28H26N4O2S.C27H26N4O3S.C26H26N6O3.C26H24N4O3S.C24H21N7O2S/c1-34-14-11-22-7-9-27(17-25(22)19-34)33-30(37)23-6-3-5-21(15-23)18-31-29(36)24-8-10-28(38-2)26(16-24)20-35-13-4-12-32-35;1-34-15-12-22-8-9-28(18-27(22)20-34)33-30(36)25-6-2-4-21(16-25)19-32-29(35)26-7-3-5-24(17-26)23-10-13-31-14-11-23;1-32-14-11-20-5-6-24(16-23(20)18-32)31-27(33)22-4-2-3-19(15-22)17-30-28(34)26-8-7-25(35-26)21-9-12-29-13-10-21;1-17-28-15-23(34-17)24-8-9-25(35-24)27(33)29-14-18-4-3-5-20(12-18)26(32)30-22-7-6-19-10-11-31(2)16-21(19)13-22;1-31-9-8-18-6-7-22(11-20(18)15-31)29-25(33)19-5-3-4-17(10-19)13-27-26(34)23-12-24(35-30-23)21-14-28-32(2)16-21;1-30-10-9-18-5-6-21(12-20(18)15-30)29-25(31)19-4-2-3-17(11-19)13-28-26(32)24-8-7-23(34-24)22-14-27-16-33-22;1-30-7-6-18-20(14-30)34-24(28-18)29-22(32)17-4-2-3-16(9-17)12-26-23(33)19-13-31-8-5-15(11-25)10-21(31)27-19/h3-10,12-13,15-17H,11,14,18-20H2,1-2H3,(H,31,36)(H,33,37);2-11,13-14,16-18H,12,15,19-20H2,1H3,(H,32,35)(H,33,36);2-10,12-13,15-16H,11,14,17-18H2,1H3,(H,30,34)(H,31,33);3-9,12-13,15H,10-11,14,16H2,1-2H3,(H,29,33)(H,30,32);3-7,10-12,14,16H,8-9,13,15H2,1-2H3,(H,27,34)(H,29,33);2-8,11-12,14,16H,9-10,13,15H2,1H3,(H,28,32)(H,29,31);2-5,8-10,13H,6-7,12,14H2,1H3,(H,26,33)(H,28,29,32)
InChIKeySCWQMUZIPCNHSV-UHFFFAOYSA-N
MW3370.04 g/mol
LogP29.54
Rot. Bonds43

About 7-cyano-N-[[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]methyl]imidazo[1,2-a]pyridine-2-carboxamide;4-methoxy-N-[[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]phenyl]methyl]-3-(pyrazol-1-ylmethyl)benzamide;N-[[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]phenyl]methyl]-5-(2-methyl-1,3-oxazol-5-yl)thiophene-2-carboxamide;N-[[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]phenyl]methyl]-5-(1-methylpyrazol-4-yl)-1,2-oxazole-3-carboxamide;N-[[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]phenyl]methyl]-5-(1,3-oxazol-5-yl)thiophene-2-carboxamide;N-[[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]phenyl]methyl]-5-pyridin-4-ylthiophene-2-carboxamide;N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[[(3-pyridin-4-ylbenzoyl)amino]methyl]benzamide

7-cyano-N-[[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]methyl]imidazo[1,2-a]pyridine-2-carboxamide;4-methoxy-N-[[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]phenyl]methyl]-3-(pyrazol-1-ylmethyl)benzamide;N-[[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]phenyl]methyl]-5-(2-methyl-1,3-oxazol-5-yl)thiophene-2-carboxamide;N-[[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]phenyl]methyl]-5-(1-methylpyrazol-4-yl)-1,2-oxazole-3-carboxamide;N-[[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]phenyl]methyl]-5-(1,3-oxazol-5-yl)thiophene-2-carboxamide;N-[[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]phenyl]methyl]-5-pyridin-4-ylthiophene-2-carboxamide;N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[[(3-pyridin-4-ylbenzoyl)amino]methyl]benzamide (PubChem CID 160799523) has the molecular formula C191H182N34O18S4 and a molecular weight of 3370.04 g/mol. Its IUPAC name is 7-cyano-N-[[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]methyl]imidazo[1,2-a]pyridine-2-carboxamide;4-methoxy-N-[[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]phenyl]methyl]-3-(pyrazol-1-ylmethyl)benzamide;N-[[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]phenyl]methyl]-5-(2-methyl-1,3-oxazol-5-yl)thiophene-2-carboxamide;N-[[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]phenyl]methyl]-5-(1-methylpyrazol-4-yl)-1,2-oxazole-3-carboxamide;N-[[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]phenyl]methyl]-5-(1,3-oxazol-5-yl)thiophene-2-carboxamide;N-[[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]phenyl]methyl]-5-pyridin-4-ylthiophene-2-carboxamide;N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[[(3-pyridin-4-ylbenzoyl)amino]methyl]benzamide.

Molecular Properties

Compound Name7-cyano-N-[[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]methyl]imidazo[1,2-a]pyridine-2-carboxamide;4-methoxy-N-[[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]phenyl]methyl]-3-(pyrazol-1-ylmethyl)benzamide;N-[[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]phenyl]methyl]-5-(2-methyl-1,3-oxazol-5-yl)thiophene-2-carboxamide;N-[[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]phenyl]methyl]-5-(1-methylpyrazol-4-yl)-1,2-oxazole-3-carboxamide;N-[[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]phenyl]methyl]-5-(1,3-oxazol-5-yl)thiophene-2-carboxamide;N-[[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]phenyl]methyl]-5-pyridin-4-ylthiophene-2-carboxamide;N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[[(3-pyridin-4-ylbenzoyl)amino]methyl]benzamide
PubChem CID160799523
Molecular FormulaC191H182N34O18S4
Molecular Weight3370.04 g/mol
Exact Mass3367.33
IUPAC Name7-cyano-N-[[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]methyl]imidazo[1,2-a]pyridine-2-carboxamide;4-methoxy-N-[[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]phenyl]methyl]-3-(pyrazol-1-ylmethyl)benzamide;N-[[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]phenyl]methyl]-5-(2-methyl-1,3-oxazol-5-yl)thiophene-2-carboxamide;N-[[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]phenyl]methyl]-5-(1-methylpyrazol-4-yl)-1,2-oxazole-3-carboxamide;N-[[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]phenyl]methyl]-5-(1,3-oxazol-5-yl)thiophene-2-carboxamide;N-[[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]phenyl]methyl]-5-pyridin-4-ylthiophene-2-carboxamide;N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[[(3-pyridin-4-ylbenzoyl)amino]methyl]benzamide
SMILESCN1CCc2ccc(NC(=O)c3cccc(CNC(=O)c4cc(-c5cnn(C)c5)on4)c3)cc2C1.CN1CCc2ccc(NC(=O)c3cccc(CNC(=O)c4ccc(-c5ccncc5)s4)c3)cc2C1.CN1CCc2ccc(NC(=O)c3cccc(CNC(=O)c4ccc(-c5cnco5)s4)c3)cc2C1.CN1CCc2ccc(NC(=O)c3cccc(CNC(=O)c4cccc(-c5ccncc5)c4)c3)cc2C1.CN1CCc2nc(NC(=O)c3cccc(CNC(=O)c4cn5ccc(C#N)cc5n4)c3)sc2C1.COc1ccc(C(=O)NCc2cccc(C(=O)Nc3ccc4c(c3)CN(C)CC4)c2)cc1Cn1cccn1.Cc1ncc(-c2ccc(C(=O)NCc3cccc(C(=O)Nc4ccc5c(c4)CN(C)CC5)c3)s2)o1
InChIInChI=1S/C30H31N5O3.C30H28N4O2.C28H26N4O2S.C27H26N4O3S.C26H26N6O3.C26H24N4O3S.C24H21N7O2S/c1-34-14-11-22-7-9-27(17-25(22)19-34)33-30(37)23-6-3-5-21(15-23)18-31-29(36)24-8-10-28(38-2)26(16-24)20-35-13-4-12-32-35;1-34-15-12-22-8-9-28(18-27(22)20-34)33-30(36)25-6-2-4-21(16-25)19-32-29(35)26-7-3-5-24(17-26)23-10-13-31-14-11-23;1-32-14-11-20-5-6-24(16-23(20)18-32)31-27(33)22-4-2-3-19(15-22)17-30-28(34)26-8-7-25(35-26)21-9-12-29-13-10-21;1-17-28-15-23(34-17)24-8-9-25(35-24)27(33)29-14-18-4-3-5-20(12-18)26(32)30-22-7-6-19-10-11-31(2)16-21(19)13-22;1-31-9-8-18-6-7-22(11-20(18)15-31)29-25(33)19-5-3-4-17(10-19)13-27-26(34)23-12-24(35-30-23)21-14-28-32(2)16-21;1-30-10-9-18-5-6-21(12-20(18)15-30)29-25(31)19-4-2-3-17(11-19)13-28-26(32)24-8-7-23(34-24)22-14-27-16-33-22;1-30-7-6-18-20(14-30)34-24(28-18)29-22(32)17-4-2-3-16(9-17)12-26-23(33)19-13-31-8-5-15(11-25)10-21(31)27-19/h3-10,12-13,15-17H,11,14,18-20H2,1-2H3,(H,31,36)(H,33,37);2-11,13-14,16-18H,12,15,19-20H2,1H3,(H,32,35)(H,33,36);2-10,12-13,15-16H,11,14,17-18H2,1H3,(H,30,34)(H,31,33);3-9,12-13,15H,10-11,14,16H2,1-2H3,(H,29,33)(H,30,32);3-7,10-12,14,16H,8-9,13,15H2,1-2H3,(H,27,34)(H,29,33);2-8,11-12,14,16H,9-10,13,15H2,1H3,(H,28,32)(H,29,31);2-5,8-10,13H,6-7,12,14H2,1H3,(H,26,33)(H,28,29,32)
InChIKeySCWQMUZIPCNHSV-UHFFFAOYSA-N
XLogP29.54
TPSA632.80 Ų
H-Bond Donors14
H-Bond Acceptors42
Rotatable Bonds43
Heavy Atoms247
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003370.04
LogP ≤ 529.54
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1042

Analyze 7-cyano-N-[[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]methyl]imidazo[1,2-a]pyridine-2-carboxamide;4-methoxy-N-[[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]phenyl]methyl]-3-(pyrazol-1-ylmethyl)benzamide;N-[[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]phenyl]methyl]-5-(2-methyl-1,3-oxazol-5-yl)thiophene-2-carboxamide;N-[[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]phenyl]methyl]-5-(1-methylpyrazol-4-yl)-1,2-oxazole-3-carboxamide;N-[[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]phenyl]methyl]-5-(1,3-oxazol-5-yl)thiophene-2-carboxamide;N-[[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]phenyl]methyl]-5-pyridin-4-ylthiophene-2-carboxamide;N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[[(3-pyridin-4-ylbenzoyl)amino]methyl]benzamide with MolForge

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Related Compounds

benzo[b][1,6]naphthyridine;1,3-benzothiazole;1-benzothiophene;5-(1,1-difluoroethyl)-1-methylpyrazole;5-(1,1-difluoroethyl)-1H-pyrazole;1,2-dimethylimidazole;1,4-dimethylimidazole;1,5-dimethylimidazole;1-(3,4-dimethylphenyl)pyrazole;furan;furo[2,3-c]pyridine;imidazo[1,2-a]pyridine;1H-imidazole;1H-indazole;2-methoxypyridine;6-methylimidazo[1,2-a]pyridine;2-methyl-1H-imidazole;bis(1-methylindazole);2-methylpyrimidine;1-methylpyrrolo[2,3-c]pyridine;1,2-oxazole;1,3-oxazole;1-propylpyrazole;pyrazine;1H-pyrazole;pyridazine;pyridine;bis(pyrimidine);1H-pyrrole;5H-pyrrolo[1,2-a]imidazole;1H-pyrrolo[2,3-b]pyridine;bis(1H-pyrrolo[3,2-c]pyridine);1,2-thiazole;1,3-thiazole;thieno[2,3-b]pyridine;thieno[3,2-b]thiophene;thieno[2,3-c]pyridine;thieno[3,2-c]pyridine;thiophene;1,3,5-triazine;2-(trifluoromethyl)imidazo[1,2-a]pyridine
CID 161043810
CID 167581615
CID 167581615
benzene;1-benzofuran;1-benzothiophene;cyclopenta-1,3-diene;1,2-dihydrocinnoline;furan;imidazo[1,2-a]pyridine;1H-imidazole;1H-indene;indolizine;isoquinoline;naphthalene;1,2-oxazole;1,3-oxazole;pyrazine;3H-pyrazole;pyrazolo[1,5-a]pyridine;pyridazine;pyridine;pyrimidine;1H-pyrrole;3H-pyrrole;quinoline;quinoxaline;1,2-thiazole;1,3-thiazole;thiophene
CID 157091306
2-Tert-butyl-5,6-dimethylfuro[3,2-b]pyridine;3-tert-butyl-5,6-dimethylfuro[3,2-b]pyridine;5-tert-butyl-2,3-dimethylfuro[2,3-b]pyridine;6-tert-butyl-2,3-dimethylfuro[3,2-b]pyridine;6-tert-butyl-3,4-dimethylpyridazine;5-tert-butyl-2,4-dimethylpyrimidine;2-tert-butyl-5,6-dimethylthieno[3,2-b]pyridine;3-tert-butyl-5,6-dimethylthieno[3,2-b]pyridine;5-tert-butyl-2,3-dimethylthieno[2,3-b]pyridine;6-tert-butyl-2,3-dimethylthieno[3,2-b]pyridine;4-tert-butyl-1-methyl-1,2-dihydrophthalazine;5-tert-butyl-3-methyl-1,2-oxazole;5-tert-butyl-3-methyl-1,2-thiazole;2-tert-butyl-3,5,6-trimethylpyrazine;3-tert-butyl-2,5,6-trimethylpyridine;3-tert-butyl-2,6,7-trimethylquinoline
CID 157127832
bis(6-tert-butyl-1H-benzimidazole);bis(5-tert-butyl-1-benzofuran);5-tert-butyl-1,3-benzothiazole;5-tert-butyl-1,3-benzoxazole;5-tert-butylfuro[2,3-b]pyridine;5-tert-butylfuro[3,2-b]pyridine;6-tert-butylimidazo[1,2-a]pyridine;7-tert-butylimidazo[1,2-a]pyridine;6-tert-butylimidazo[1,2-a]pyrimidine;6-tert-butylimidazo[1,2-b]pyridazine;5-tert-butyl-2H-indene;5-tert-butyl-1H-indole;bis(6-tert-butyl-1H-indole);5-tert-butyl-1H-pyrrolo[3,2-b]pyridine;6-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine
CID 157132695
1-benzofuran;1,3-benzothiazole;1-benzothiophene;1,3-benzoxazole;cinnoline;furan;furo[2,3-b]pyrazine;furo[2,3-b]pyridine;furo[3,2-b]pyridine;furo[2,3-c]pyridine;furo[3,2-c]pyridine;furo[2,3-d]pyrimidine;furo[3,2-d]pyrimidine;indolizine;isoquinoline;1,8-naphthyridine;bis(1,3-oxazole);1-phenylindole;2-phenylisoindole;pyrazine;bis(pyridine);pyrido[2,3-b]pyrazine;bis(pyrimidine);quinoline;4H-quinolizine;quinoxaline;1,3,4-thiadiazole;bis(1,3-thiazole);thieno[2,3-b]pyridine;thieno[2,3-c]pyridine;thiophene
CID 157160626
1H-benzimidazole;1-benzofuran;1,3-benzothiazole;1-benzothiophene;2H-benzotriazole;1,2-benzoxazole;1,3-benzoxazole;furo[2,3-b]pyridine;1H-indazole;1H-indole;octadecakis(2-methylpropane);[1,3]oxazolo[4,5-b]pyridine;[1,3]oxazolo[5,4-c]pyridine;1H-pyrrolo[2,3-b]pyridine;quinazoline;quinoline;[1,3]thiazolo[4,5-b]pyridine;[1,3]thiazolo[5,4-c]pyridine;thieno[2,3-b]pyridine
CID 157175988
CID 157199801
CID 157199801
2-methoxy-7-methylnaphthalene;5-methyl-1,2-benzothiazol-3-amine;6-methyl-1,2-benzothiazol-3-amine;5-methyl-2H-benzotriazole;5-methyl-1,2-benzoxazol-3-amine;6-methyl-1,2-benzoxazol-3-amine;5-methyl-2,3-dihydro-1H-indole;6-methyl-2,3-dihydro-1H-indole;6-methyl-2,3-dihydroisoindol-1-one;2-methylfuro[2,3-c]pyridin-7-amine;2-methylfuro[3,2-c]pyridin-4-amine;2-methyl-1H-imidazo[4,5-c]pyridin-4-amine;5-methyl-1H-indazole;6-methyl-1H-indazole;2-methyl-1H-indol-7-amine;5-methyl-1H-indole;6-methyl-1H-indole;5-methyl-3H-isoindol-1-amine;6-methyl-3H-isoindol-1-amine;7-methylnaphthalene-2-carboxamide;(3-methylnaphthalen-2-yl)methanamine;(7-methylnaphthalen-2-yl)methanamine;2-methyl-1H-pyrrolo[3,2-c]pyridin-4-amine;2-methylthieno[2,3-c]pyridin-7-amine;2-methylthieno[3,2-c]pyridin-4-amine
CID 157201614
1,2-dimethylbenzimidazole;2,4-dimethyl-1,3-benzoxazole;2,5-dimethyl-1,3-benzoxazole;2,6-dimethyl-1,3-benzoxazole;2,7-dimethyl-1,3-benzoxazole;ethylbenzene;5-ethyl-2-methyltetrazole;2-ethyl-[1,3]oxazolo[4,5-c]pyridine;2-ethyl-[1,3]oxazolo[5,4-c]pyridine;3-ethylpyridazine;2-ethylpyridine;2-methyl-1H-benzimidazole;2-methyl-1,3-benzothiazole;2-methyl-1,3-benzoxazole;2-methyl-[1,3]oxazolo[4,5-b]pyridine;2-methyl-[1,3]oxazolo[5,4-b]pyridine;6-methyl-[1,3]oxazolo[4,5-c]pyridazine;2-methylpyrazine;2-methylpyrimidine;4-methylpyrimidine
CID 157203568
benzene;1H-benzimidazole;1-benzofuran;1,3-benzothiazole;1-benzothiophene;furan;1H-imidazole;1H-indazole;1H-indene;2H-isoindole;isoquinoline;methane;1,2,4-oxadiazole;1,2,5-oxadiazole;1,3,4-oxadiazole;oxatriazole;1,2,3,5-oxatriazole;1,2-oxazole;1,3-oxazole;7H-purine;pyrazine;1H-pyrazole;pyridazine;pyridine;1H-pyrrole;quinoline;quinolizin-5-ium;thiadiazole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole;thiophene;1,3,5-triazine;2H-triazole
CID 157206192
1,2-benzothiazole;1,2-benzoxazole;1-benzylindazole;chromen-2-one;cinnoline;furo[2,3-d]pyrimidine;1H-indazole;1-methylindazole;1,5-naphthyridine;1,6-naphthyridine;1,7-naphthyridine;1,8-naphthyridine;2,6-naphthyridine;2,7-naphthyridine;[1,2]oxazolo[4,5-b]pyridine;[1,2]oxazolo[5,4-c]pyridine;[1,2]oxazolo[4,5-d]pyrimidine;[1,3]oxazolo[5,4-d]pyrimidine;1-phenylindazole;4-phenyl-1,3-thiazole;phthalazine;7H-purine;pyrazine;pyridazine;pyridine;pyrimidine;7H-pyrrolo[2,3-d]pyrimidine;quinazoline;quinoline;[1,3]thiazolo[5,4-d]pyrimidine;thieno[2,3-d]pyrimidine;1,3,5-triazine
CID 157237191

Frequently Asked Questions

What is the IUPAC name of 7-cyano-N-[[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]methyl]imidazo[1,2-a]pyridine-2-carboxamide;4-methoxy-N-[[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]phenyl]methyl]-3-(pyrazol-1-ylmethyl)benzamide;N-[[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]phenyl]methyl]-5-(2-methyl-1,3-oxazol-5-yl)thiophene-2-carboxamide;N-[[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]phenyl]methyl]-5-(1-methylpyrazol-4-yl)-1,2-oxazole-3-carboxamide;N-[[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]phenyl]methyl]-5-(1,3-oxazol-5-yl)thiophene-2-carboxamide;N-[[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]phenyl]methyl]-5-pyridin-4-ylthiophene-2-carboxamide;N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[[(3-pyridin-4-ylbenzoyl)amino]methyl]benzamide?
The IUPAC name of 7-cyano-N-[[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]methyl]imidazo[1,2-a]pyridine-2-carboxamide;4-methoxy-N-[[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]phenyl]methyl]-3-(pyrazol-1-ylmethyl)benzamide;N-[[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]phenyl]methyl]-5-(2-methyl-1,3-oxazol-5-yl)thiophene-2-carboxamide;N-[[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]phenyl]methyl]-5-(1-methylpyrazol-4-yl)-1,2-oxazole-3-carboxamide;N-[[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]phenyl]methyl]-5-(1,3-oxazol-5-yl)thiophene-2-carboxamide;N-[[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]phenyl]methyl]-5-pyridin-4-ylthiophene-2-carboxamide;N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[[(3-pyridin-4-ylbenzoyl)amino]methyl]benzamide (CID 160799523) is 7-cyano-N-[[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]methyl]imidazo[1,2-a]pyridine-2-carboxamide;4-methoxy-N-[[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]phenyl]methyl]-3-(pyrazol-1-ylmethyl)benzamide;N-[[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]phenyl]methyl]-5-(2-methyl-1,3-oxazol-5-yl)thiophene-2-carboxamide;N-[[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]phenyl]methyl]-5-(1-methylpyrazol-4-yl)-1,2-oxazole-3-carboxamide;N-[[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]phenyl]methyl]-5-(1,3-oxazol-5-yl)thiophene-2-carboxamide;N-[[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]phenyl]methyl]-5-pyridin-4-ylthiophene-2-carboxamide;N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[[(3-pyridin-4-ylbenzoyl)amino]methyl]benzamide.
What is the SMILES notation for 7-cyano-N-[[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]methyl]imidazo[1,2-a]pyridine-2-carboxamide;4-methoxy-N-[[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]phenyl]methyl]-3-(pyrazol-1-ylmethyl)benzamide;N-[[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]phenyl]methyl]-5-(2-methyl-1,3-oxazol-5-yl)thiophene-2-carboxamide;N-[[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]phenyl]methyl]-5-(1-methylpyrazol-4-yl)-1,2-oxazole-3-carboxamide;N-[[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]phenyl]methyl]-5-(1,3-oxazol-5-yl)thiophene-2-carboxamide;N-[[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]phenyl]methyl]-5-pyridin-4-ylthiophene-2-carboxamide;N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[[(3-pyridin-4-ylbenzoyl)amino]methyl]benzamide?
The canonical SMILES for 7-cyano-N-[[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]methyl]imidazo[1,2-a]pyridine-2-carboxamide;4-methoxy-N-[[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]phenyl]methyl]-3-(pyrazol-1-ylmethyl)benzamide;N-[[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]phenyl]methyl]-5-(2-methyl-1,3-oxazol-5-yl)thiophene-2-carboxamide;N-[[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]phenyl]methyl]-5-(1-methylpyrazol-4-yl)-1,2-oxazole-3-carboxamide;N-[[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]phenyl]methyl]-5-(1,3-oxazol-5-yl)thiophene-2-carboxamide;N-[[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]phenyl]methyl]-5-pyridin-4-ylthiophene-2-carboxamide;N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[[(3-pyridin-4-ylbenzoyl)amino]methyl]benzamide is CN1CCc2ccc(NC(=O)c3cccc(CNC(=O)c4cc(-c5cnn(C)c5)on4)c3)cc2C1.CN1CCc2ccc(NC(=O)c3cccc(CNC(=O)c4ccc(-c5ccncc5)s4)c3)cc2C1.CN1CCc2ccc(NC(=O)c3cccc(CNC(=O)c4ccc(-c5cnco5)s4)c3)cc2C1.CN1CCc2ccc(NC(=O)c3cccc(CNC(=O)c4cccc(-c5ccncc5)c4)c3)cc2C1.CN1CCc2nc(NC(=O)c3cccc(CNC(=O)c4cn5ccc(C#N)cc5n4)c3)sc2C1.COc1ccc(C(=O)NCc2cccc(C(=O)Nc3ccc4c(c3)CN(C)CC4)c2)cc1Cn1cccn1.Cc1ncc(-c2ccc(C(=O)NCc3cccc(C(=O)Nc4ccc5c(c4)CN(C)CC5)c3)s2)o1.
What is the InChIKey of 7-cyano-N-[[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]methyl]imidazo[1,2-a]pyridine-2-carboxamide;4-methoxy-N-[[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]phenyl]methyl]-3-(pyrazol-1-ylmethyl)benzamide;N-[[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]phenyl]methyl]-5-(2-methyl-1,3-oxazol-5-yl)thiophene-2-carboxamide;N-[[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]phenyl]methyl]-5-(1-methylpyrazol-4-yl)-1,2-oxazole-3-carboxamide;N-[[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]phenyl]methyl]-5-(1,3-oxazol-5-yl)thiophene-2-carboxamide;N-[[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]phenyl]methyl]-5-pyridin-4-ylthiophene-2-carboxamide;N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[[(3-pyridin-4-ylbenzoyl)amino]methyl]benzamide?
The InChIKey is SCWQMUZIPCNHSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31N5O3.C30H28N4O2.C28H26N4O2S.C27H26N4O3S.C26H26N6O3.C26H24N4O3S.C24H21N7O2S/c1-34-14-11-22-7-9-27(17-25(22)19-34)33-30(37)23-6-3-5-21(15-23)18-31-29(36)24-8-10-28(38-2)26(16-24)20-35-13-4-12-32-35;1-34-15-12-22-8-9-28(18-27(22)20-34)33-30(36)25-6-2-4-21(16-25)19-32-29(35)26-7-3-5-24(17-26)23-10-13-31-14-11-23;1-32-14-11-20-5-6-24(16-23(20)18-32)31-27(33)22-4-2-3-19(15-22)17-30-28(34)26-8-7-25(35-26)21-9-12-29-13-10-21;1-17-28-15-23(34-17)24-8-9-25(35-24)27(33)29-14-18-4-3-5-20(12-18)26(32)30-22-7-6-19-10-11-31(2)16-21(19)13-22;1-31-9-8-18-6-7-22(11-20(18)15-31)29-25(33)19-5-3-4-17(10-19)13-27-26(34)23-12-24(35-30-23)21-14-28-32(2)16-21;1-30-10-9-18-5-6-21(12-20(18)15-30)29-25(31)19-4-2-3-17(11-19)13-28-26(32)24-8-7-23(34-24)22-14-27-16-33-22;1-30-7-6-18-20(14-30)34-24(28-18)29-22(32)17-4-2-3-16(9-17)12-26-23(33)19-13-31-8-5-15(11-25)10-21(31)27-19/h3-10,12-13,15-17H,11,14,18-20H2,1-2H3,(H,31,36)(H,33,37);2-11,13-14,16-18H,12,15,19-20H2,1H3,(H,32,35)(H,33,36);2-10,12-13,15-16H,11,14,17-18H2,1H3,(H,30,34)(H,31,33);3-9,12-13,15H,10-11,14,16H2,1-2H3,(H,29,33)(H,30,32);3-7,10-12,14,16H,8-9,13,15H2,1-2H3,(H,27,34)(H,29,33);2-8,11-12,14,16H,9-10,13,15H2,1H3,(H,28,32)(H,29,31);2-5,8-10,13H,6-7,12,14H2,1H3,(H,26,33)(H,28,29,32).
What are the key properties of 7-cyano-N-[[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]methyl]imidazo[1,2-a]pyridine-2-carboxamide;4-methoxy-N-[[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]phenyl]methyl]-3-(pyrazol-1-ylmethyl)benzamide;N-[[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]phenyl]methyl]-5-(2-methyl-1,3-oxazol-5-yl)thiophene-2-carboxamide;N-[[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]phenyl]methyl]-5-(1-methylpyrazol-4-yl)-1,2-oxazole-3-carboxamide;N-[[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]phenyl]methyl]-5-(1,3-oxazol-5-yl)thiophene-2-carboxamide;N-[[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]phenyl]methyl]-5-pyridin-4-ylthiophene-2-carboxamide;N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[[(3-pyridin-4-ylbenzoyl)amino]methyl]benzamide?
7-cyano-N-[[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]methyl]imidazo[1,2-a]pyridine-2-carboxamide;4-methoxy-N-[[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]phenyl]methyl]-3-(pyrazol-1-ylmethyl)benzamide;N-[[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]phenyl]methyl]-5-(2-methyl-1,3-oxazol-5-yl)thiophene-2-carboxamide;N-[[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]phenyl]methyl]-5-(1-methylpyrazol-4-yl)-1,2-oxazole-3-carboxamide;N-[[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]phenyl]methyl]-5-(1,3-oxazol-5-yl)thiophene-2-carboxamide;N-[[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]phenyl]methyl]-5-pyridin-4-ylthiophene-2-carboxamide;N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[[(3-pyridin-4-ylbenzoyl)amino]methyl]benzamide has a molecular weight of 3370.04 g/mol, XLogP of 29.54, 43 rotatable bonds, 14 hydrogen bond donors, and 42 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyano-N-[[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]methyl]imidazo[1,2-a]pyridine-2-carboxamide;4-methoxy-N-[[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]phenyl]methyl]-3-(pyrazol-1-ylmethyl)benzamide;N-[[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]phenyl]methyl]-5-(2-methyl-1,3-oxazol-5-yl)thiophene-2-carboxamide;N-[[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]phenyl]methyl]-5-(1-methylpyrazol-4-yl)-1,2-oxazole-3-carboxamide;N-[[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]phenyl]methyl]-5-(1,3-oxazol-5-yl)thiophene-2-carboxamide;N-[[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]phenyl]methyl]-5-pyridin-4-ylthiophene-2-carboxamide;N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[[(3-pyridin-4-ylbenzoyl)amino]methyl]benzamide is sourced from PubChem (CID 160799523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).