2-(5-chlorothiophen-2-yl)-N-methyl-3-[(1S,3R)-3-[(5-methylthiophene-2-carbonyl)amino]cyclohexyl]imidazo[4,5-b]pyridine-6-carboxamide;N,5-dimethyl-N-[(1S,3R)-3-(5-propanoyl-2-pyridin-2-ylbenzimidazol-1-yl)cyclohexyl]thiophene-2-carboxamide;ethyl 1-[(1S,3R)-3-[2-(5-ethynylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazole-5-carboxylate;bis(ethyl 1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazole-5-carboxylate);N-methyl-3-[(1S,3S)-3-[(5-phenylthiophene-2-carbonyl)amino]cyclohexyl]-2-pyridin-2-ylimidazo[4,5-b]pyridine-6-carboxamide;5-methyl-N-[(1R,3S)-3-(2-pyridin-2-ylimidazo[4,5-b]pyridin-3-yl)cyclohexyl]thiophene-2-carboxamide;3-[(1R,3S)-3-[(5-methylthiophene-2-carbonyl)amino]cyclohexyl]-2-pyridin-2-ylimidazo[4,5-b]pyridine-6-carboxylic acid

C214H213ClN34O19S9 — CID 167568549

IUPAC2-(5-chlorothiophen-2-yl)-N-methyl-3-[(1S,3R)-3-[(5-methylthiophene-2-carbonyl)amino]cyclohexyl]imidazo[4,5-b]pyridine-6-carboxamide;N,5-dimethyl-N-[(1S,3R)-3-(5-propanoyl-2-pyridin-2-ylbenzimidazol-1-yl)cyclohexyl]thiophene-2-carboxamide;ethyl 1-[(1S,3R)-3-[2-(5-ethynylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazole-5-carboxylate;bis(ethyl 1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazole-5-carboxylate);N-methyl-3-[(1S,3S)-3-[(5-phenylthiophene-2-carbonyl)amino]cyclohexyl]-2-pyridin-2-ylimidazo[4,5-b]pyridine-6-carboxamide;5-methyl-N-[(1R,3S)-3-(2-pyridin-2-ylimidazo[4,5-b]pyridin-3-yl)cyclohexyl]thiophene-2-carboxamide;3-[(1R,3S)-3-[(5-methylthiophene-2-carbonyl)amino]cyclohexyl]-2-pyridin-2-ylimidazo[4,5-b]pyridine-6-carboxylic acid
SMILESC#Cc1ccc(C(=O)C[C@@H]2CCC[C@H](n3c(-c4ccccn4)nc4cc(C(=O)OCC)ccc43)C2)s1.CCC(=O)c1ccc2c(c1)nc(-c1ccccn1)n2[C@@H]1CCC[C@H](N(C)C(=O)c2ccc(C)s2)C1.CCOC(=O)c1ccc2c(c1)nc(-c1ccccn1)n2[C@H]1CCC[C@@H](CC(=O)c2ccc(C)s2)C1.CCOC(=O)c1ccc2c(c1)nc(-c1ccccn1)n2[C@H]1CCC[C@@H](CC(=O)c2ccc(C)s2)C1.CNC(=O)c1cnc2c(c1)nc(-c1ccc(Cl)s1)n2[C@H]1CCC[C@@H](NC(=O)c2ccc(C)s2)C1.CNC(=O)c1cnc2c(c1)nc(-c1ccccn1)n2[C@H]1CCC[C@H](NC(=O)c2ccc(-c3ccccc3)s2)C1.Cc1ccc(C(=O)N[C@@H]2CCC[C@H](n3c(-c4ccccn4)nc4cccnc43)C2)s1.Cc1ccc(C(=O)N[C@H]2CCC[C@@H](n3c(-c4ccccn4)nc4cc(C(=O)O)cnc43)C2)s1
InChIInChI=1S/C30H28N6O2S.C29H27N3O3S.C28H30N4O2S.2C28H29N3O3S.C24H24ClN5O2S2.C24H23N5O3S.C23H23N5OS/c1-31-29(37)20-16-24-27(33-18-20)36(28(35-24)23-12-5-6-15-32-23)22-11-7-10-21(17-22)34-30(38)26-14-13-25(39-26)19-8-3-2-4-9-19;1-3-22-12-14-27(36-22)26(33)17-19-8-7-9-21(16-19)32-25-13-11-20(29(34)35-4-2)18-24(25)31-28(32)23-10-5-6-15-30-23;1-4-25(33)19-12-13-24-23(16-19)30-27(22-10-5-6-15-29-22)32(24)21-9-7-8-20(17-21)31(3)28(34)26-14-11-18(2)35-26;2*1-3-34-28(33)20-11-12-24-23(17-20)30-27(22-9-4-5-14-29-22)31(24)21-8-6-7-19(15-21)16-25(32)26-13-10-18(2)35-26;1-13-6-7-19(33-13)24(32)28-15-4-3-5-16(11-15)30-21-17(10-14(12-27-21)23(31)26-2)29-22(30)18-8-9-20(25)34-18;1-14-8-9-20(33-14)23(30)27-16-5-4-6-17(12-16)29-21-19(11-15(13-26-21)24(31)32)28-22(29)18-7-2-3-10-25-18;1-15-10-11-20(30-15)23(29)26-16-6-4-7-17(14-16)28-21-19(9-5-13-25-21)27-22(28)18-8-2-3-12-24-18/h2-6,8-9,12-16,18,21-22H,7,10-11,17H2,1H3,(H,31,37)(H,34,38);1,5-6,10-15,18-19,21H,4,7-9,16-17H2,2H3;5-6,10-16,20-21H,4,7-9,17H2,1-3H3;2*4-5,9-14,17,19,21H,3,6-8,15-16H2,1-2H3;6-10,12,15-16H,3-5,11H2,1-2H3,(H,26,31)(H,28,32);2-3,7-11,13,16-17H,4-6,12H2,1H3,(H,27,30)(H,31,32);2-3,5,8-13,16-17H,4,6-7,14H2,1H3,(H,26,29)/t21-,22-;19-,21+;20-,21+;2*19-,21+;15-,16+;2*16-,17+/m01011101/s1
InChIKeyFPDWEZDNFMGGNO-PLGKYJNISA-N
MW3889.33 g/mol
LogP46.14
Rot. Bonds47

About 2-(5-chlorothiophen-2-yl)-N-methyl-3-[(1S,3R)-3-[(5-methylthiophene-2-carbonyl)amino]cyclohexyl]imidazo[4,5-b]pyridine-6-carboxamide;N,5-dimethyl-N-[(1S,3R)-3-(5-propanoyl-2-pyridin-2-ylbenzimidazol-1-yl)cyclohexyl]thiophene-2-carboxamide;ethyl 1-[(1S,3R)-3-[2-(5-ethynylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazole-5-carboxylate;bis(ethyl 1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazole-5-carboxylate);N-methyl-3-[(1S,3S)-3-[(5-phenylthiophene-2-carbonyl)amino]cyclohexyl]-2-pyridin-2-ylimidazo[4,5-b]pyridine-6-carboxamide;5-methyl-N-[(1R,3S)-3-(2-pyridin-2-ylimidazo[4,5-b]pyridin-3-yl)cyclohexyl]thiophene-2-carboxamide;3-[(1R,3S)-3-[(5-methylthiophene-2-carbonyl)amino]cyclohexyl]-2-pyridin-2-ylimidazo[4,5-b]pyridine-6-carboxylic acid

2-(5-chlorothiophen-2-yl)-N-methyl-3-[(1S,3R)-3-[(5-methylthiophene-2-carbonyl)amino]cyclohexyl]imidazo[4,5-b]pyridine-6-carboxamide;N,5-dimethyl-N-[(1S,3R)-3-(5-propanoyl-2-pyridin-2-ylbenzimidazol-1-yl)cyclohexyl]thiophene-2-carboxamide;ethyl 1-[(1S,3R)-3-[2-(5-ethynylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazole-5-carboxylate;bis(ethyl 1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazole-5-carboxylate);N-methyl-3-[(1S,3S)-3-[(5-phenylthiophene-2-carbonyl)amino]cyclohexyl]-2-pyridin-2-ylimidazo[4,5-b]pyridine-6-carboxamide;5-methyl-N-[(1R,3S)-3-(2-pyridin-2-ylimidazo[4,5-b]pyridin-3-yl)cyclohexyl]thiophene-2-carboxamide;3-[(1R,3S)-3-[(5-methylthiophene-2-carbonyl)amino]cyclohexyl]-2-pyridin-2-ylimidazo[4,5-b]pyridine-6-carboxylic acid (PubChem CID 167568549) has the molecular formula C214H213ClN34O19S9 and a molecular weight of 3889.33 g/mol. Its IUPAC name is 2-(5-chlorothiophen-2-yl)-N-methyl-3-[(1S,3R)-3-[(5-methylthiophene-2-carbonyl)amino]cyclohexyl]imidazo[4,5-b]pyridine-6-carboxamide;N,5-dimethyl-N-[(1S,3R)-3-(5-propanoyl-2-pyridin-2-ylbenzimidazol-1-yl)cyclohexyl]thiophene-2-carboxamide;ethyl 1-[(1S,3R)-3-[2-(5-ethynylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazole-5-carboxylate;bis(ethyl 1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazole-5-carboxylate);N-methyl-3-[(1S,3S)-3-[(5-phenylthiophene-2-carbonyl)amino]cyclohexyl]-2-pyridin-2-ylimidazo[4,5-b]pyridine-6-carboxamide;5-methyl-N-[(1R,3S)-3-(2-pyridin-2-ylimidazo[4,5-b]pyridin-3-yl)cyclohexyl]thiophene-2-carboxamide;3-[(1R,3S)-3-[(5-methylthiophene-2-carbonyl)amino]cyclohexyl]-2-pyridin-2-ylimidazo[4,5-b]pyridine-6-carboxylic acid.

Molecular Properties

Compound Name2-(5-chlorothiophen-2-yl)-N-methyl-3-[(1S,3R)-3-[(5-methylthiophene-2-carbonyl)amino]cyclohexyl]imidazo[4,5-b]pyridine-6-carboxamide;N,5-dimethyl-N-[(1S,3R)-3-(5-propanoyl-2-pyridin-2-ylbenzimidazol-1-yl)cyclohexyl]thiophene-2-carboxamide;ethyl 1-[(1S,3R)-3-[2-(5-ethynylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazole-5-carboxylate;bis(ethyl 1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazole-5-carboxylate);N-methyl-3-[(1S,3S)-3-[(5-phenylthiophene-2-carbonyl)amino]cyclohexyl]-2-pyridin-2-ylimidazo[4,5-b]pyridine-6-carboxamide;5-methyl-N-[(1R,3S)-3-(2-pyridin-2-ylimidazo[4,5-b]pyridin-3-yl)cyclohexyl]thiophene-2-carboxamide;3-[(1R,3S)-3-[(5-methylthiophene-2-carbonyl)amino]cyclohexyl]-2-pyridin-2-ylimidazo[4,5-b]pyridine-6-carboxylic acid
PubChem CID167568549
Molecular FormulaC214H213ClN34O19S9
Molecular Weight3889.33 g/mol
Exact Mass3885.39
IUPAC Name2-(5-chlorothiophen-2-yl)-N-methyl-3-[(1S,3R)-3-[(5-methylthiophene-2-carbonyl)amino]cyclohexyl]imidazo[4,5-b]pyridine-6-carboxamide;N,5-dimethyl-N-[(1S,3R)-3-(5-propanoyl-2-pyridin-2-ylbenzimidazol-1-yl)cyclohexyl]thiophene-2-carboxamide;ethyl 1-[(1S,3R)-3-[2-(5-ethynylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazole-5-carboxylate;bis(ethyl 1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazole-5-carboxylate);N-methyl-3-[(1S,3S)-3-[(5-phenylthiophene-2-carbonyl)amino]cyclohexyl]-2-pyridin-2-ylimidazo[4,5-b]pyridine-6-carboxamide;5-methyl-N-[(1R,3S)-3-(2-pyridin-2-ylimidazo[4,5-b]pyridin-3-yl)cyclohexyl]thiophene-2-carboxamide;3-[(1R,3S)-3-[(5-methylthiophene-2-carbonyl)amino]cyclohexyl]-2-pyridin-2-ylimidazo[4,5-b]pyridine-6-carboxylic acid
SMILESC#Cc1ccc(C(=O)C[C@@H]2CCC[C@H](n3c(-c4ccccn4)nc4cc(C(=O)OCC)ccc43)C2)s1.CCC(=O)c1ccc2c(c1)nc(-c1ccccn1)n2[C@@H]1CCC[C@H](N(C)C(=O)c2ccc(C)s2)C1.CCOC(=O)c1ccc2c(c1)nc(-c1ccccn1)n2[C@H]1CCC[C@@H](CC(=O)c2ccc(C)s2)C1.CCOC(=O)c1ccc2c(c1)nc(-c1ccccn1)n2[C@H]1CCC[C@@H](CC(=O)c2ccc(C)s2)C1.CNC(=O)c1cnc2c(c1)nc(-c1ccc(Cl)s1)n2[C@H]1CCC[C@@H](NC(=O)c2ccc(C)s2)C1.CNC(=O)c1cnc2c(c1)nc(-c1ccccn1)n2[C@H]1CCC[C@H](NC(=O)c2ccc(-c3ccccc3)s2)C1.Cc1ccc(C(=O)N[C@@H]2CCC[C@H](n3c(-c4ccccn4)nc4cccnc43)C2)s1.Cc1ccc(C(=O)N[C@H]2CCC[C@@H](n3c(-c4ccccn4)nc4cc(C(=O)O)cnc43)C2)s1
InChIInChI=1S/C30H28N6O2S.C29H27N3O3S.C28H30N4O2S.2C28H29N3O3S.C24H24ClN5O2S2.C24H23N5O3S.C23H23N5OS/c1-31-29(37)20-16-24-27(33-18-20)36(28(35-24)23-12-5-6-15-32-23)22-11-7-10-21(17-22)34-30(38)26-14-13-25(39-26)19-8-3-2-4-9-19;1-3-22-12-14-27(36-22)26(33)17-19-8-7-9-21(16-19)32-25-13-11-20(29(34)35-4-2)18-24(25)31-28(32)23-10-5-6-15-30-23;1-4-25(33)19-12-13-24-23(16-19)30-27(22-10-5-6-15-29-22)32(24)21-9-7-8-20(17-21)31(3)28(34)26-14-11-18(2)35-26;2*1-3-34-28(33)20-11-12-24-23(17-20)30-27(22-9-4-5-14-29-22)31(24)21-8-6-7-19(15-21)16-25(32)26-13-10-18(2)35-26;1-13-6-7-19(33-13)24(32)28-15-4-3-5-16(11-15)30-21-17(10-14(12-27-21)23(31)26-2)29-22(30)18-8-9-20(25)34-18;1-14-8-9-20(33-14)23(30)27-16-5-4-6-17(12-16)29-21-19(11-15(13-26-21)24(31)32)28-22(29)18-7-2-3-10-25-18;1-15-10-11-20(30-15)23(29)26-16-6-4-7-17(14-16)28-21-19(9-5-13-25-21)27-22(28)18-8-2-3-12-24-18/h2-6,8-9,12-16,18,21-22H,7,10-11,17H2,1H3,(H,31,37)(H,34,38);1,5-6,10-15,18-19,21H,4,7-9,16-17H2,2H3;5-6,10-16,20-21H,4,7-9,17H2,1-3H3;2*4-5,9-14,17,19,21H,3,6-8,15-16H2,1-2H3;6-10,12,15-16H,3-5,11H2,1-2H3,(H,26,31)(H,28,32);2-3,7-11,13,16-17H,4-6,12H2,1H3,(H,27,30)(H,31,32);2-3,5,8-13,16-17H,4,6-7,14H2,1H3,(H,26,29)/t21-,22-;19-,21+;20-,21+;2*19-,21+;15-,16+;2*16-,17+/m01011101/s1
InChIKeyFPDWEZDNFMGGNO-PLGKYJNISA-N
XLogP46.14
TPSA663.74 Ų
H-Bond Donors7
H-Bond Acceptors54
Rotatable Bonds47
Heavy Atoms277
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003889.33
LogP ≤ 546.14
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1054

Analyze 2-(5-chlorothiophen-2-yl)-N-methyl-3-[(1S,3R)-3-[(5-methylthiophene-2-carbonyl)amino]cyclohexyl]imidazo[4,5-b]pyridine-6-carboxamide;N,5-dimethyl-N-[(1S,3R)-3-(5-propanoyl-2-pyridin-2-ylbenzimidazol-1-yl)cyclohexyl]thiophene-2-carboxamide;ethyl 1-[(1S,3R)-3-[2-(5-ethynylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazole-5-carboxylate;bis(ethyl 1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazole-5-carboxylate);N-methyl-3-[(1S,3S)-3-[(5-phenylthiophene-2-carbonyl)amino]cyclohexyl]-2-pyridin-2-ylimidazo[4,5-b]pyridine-6-carboxamide;5-methyl-N-[(1R,3S)-3-(2-pyridin-2-ylimidazo[4,5-b]pyridin-3-yl)cyclohexyl]thiophene-2-carboxamide;3-[(1R,3S)-3-[(5-methylthiophene-2-carbonyl)amino]cyclohexyl]-2-pyridin-2-ylimidazo[4,5-b]pyridine-6-carboxylic acid with MolForge

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Related Compounds

1-[1-[(1R,3S)-3-[2-[5-(1,1-difluoroethyl)thiophen-2-yl]-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one;2-[(1S,3R)-3-[5-(hydroxymethyl)-2-pyridin-2-ylbenzimidazol-1-yl]cyclohexyl]-1-thiophen-2-ylethanone;methyl 1-[(1R,3S)-3-(2-oxo-2-thiophen-2-ylethyl)cyclohexyl]-2-pyridin-2-ylbenzimidazole-5-carboxylate;1-[1-[(1R,3S)-3-[2-(3-methylphenyl)-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one;1-[1-[(1R,3S)-3-[2-(4-methylphenyl)-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one;1-[1-[(1R,3S)-3-phenacylcyclohexyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one
CID 167669576
1-(2-chloro-4-methylpyrimidin-5-yl)ethanone;(1R)-1-[2-[(1R)-8-(hydroxymethyl)-7-methylsulfonyl-1-propan-2-yl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl]-4-methylpyrimidin-5-yl]ethanol;(1S)-1-[2-[(1R)-8-(hydroxymethyl)-7-methylsulfonyl-1-propan-2-yl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl]-4-methylpyrimidin-5-yl]ethanol;(1R)-1-[2-[(1S)-8-(hydroxymethyl)-7-methylsulfonyl-1-propan-2-yl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl]-4-methylpyrimidin-5-yl]ethanol;(1S)-1-[2-[(1S)-8-(hydroxymethyl)-7-methylsulfonyl-1-propan-2-yl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl]-4-methylpyrimidin-5-yl]ethanol;methane;methyl (1R)-2-(5-acetyl-4-methylpyrimidin-2-yl)-7-methylsulfonyl-1-propan-2-yl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole-8-carboxylate;methyl (1R)-7-methylsulfonyl-1-propan-2-yl-1,2,3,4-tetrahydropyrazino[1,2-a]benzimidazole-8-carboxylate
CID 157051479
CID 157261036
CID 157261036
1-(2-chloro-4-methylpyrimidin-5-yl)ethanone;(1R)-1-[2-[(1R)-8-(hydroxymethyl)-7-methylsulfonyl-1-propan-2-yl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl]-4-methylpyrimidin-5-yl]ethanol;(1S)-1-[2-[(1R)-8-(hydroxymethyl)-7-methylsulfonyl-1-propan-2-yl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl]-4-methylpyrimidin-5-yl]ethanol;(1R)-1-[2-[(1S)-8-(hydroxymethyl)-7-methylsulfonyl-1-propan-2-yl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl]-4-methylpyrimidin-5-yl]ethanol;(1S)-1-[2-[(1S)-8-(hydroxymethyl)-7-methylsulfonyl-1-propan-2-yl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl]-4-methylpyrimidin-5-yl]ethanol;methane;methyl (1R)-2-(5-acetyl-4-methylpyrimidin-2-yl)-7-methylsulfonyl-1-propan-2-yl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole-8-carboxylate;methyl (1R)-7-methylsulfonyl-1-propan-2-yl-1,2,3,4-tetrahydropyrazino[1,2-a]benzimidazole-8-carboxylate
CID 157295147
sodium;cyclopropanamine;3-cyclopropyl-N-[(4-ethylsulfonylphenyl)methyl]-2-[(4-methylcyclohexyl)methyl]imidazo[4,5-b]pyridine-6-carboxamide;3-cyclopropyl-2-[(4-methylcyclohexyl)methyl]imidazo[4,5-b]pyridine-6-carboxylic acid;(4-ethylsulfonylphenyl)methanamine;methyl 5-amino-6-(cyclopropylamino)pyridine-3-carboxylate;methyl 6-chloro-5-nitropyridine-3-carboxylate;2-(4-methylcyclohexyl)acetic acid;methyl 6-(cyclopropylamino)-5-[3-(4-methylcyclohexyl)-2-oxopropyl]pyridine-3-carboxylate;methyl 6-(cyclopropylamino)-5-nitropyridine-3-carboxylate;tris(methyl 3-cyclopropyl-2-[(4-methylcyclohexyl)methyl]imidazo[4,5-b]pyridine-6-carboxylate);hydroxide;hydrochloride
CID 157304578
2-(4-chlorophenyl)-8-[[(3R)-piperidin-3-yl]amino]imidazo[1,2-a]pyrazine-5-carboxamide;5-[4-(4-chlorophenyl)thiophen-2-yl]-2-[(3S)-piperidin-3-yl]imidazo[1,2-a]pyrazin-8-amine;ethyl 5-[8-amino-2-[(3S)-piperidin-3-yl]imidazo[1,2-a]pyrazin-5-yl]thiophene-3-carboxylate;methane;5-(3-methylphenyl)-2-[(3S)-piperidin-3-yl]imidazo[1,2-a]pyrazin-8-amine;5-(3-phenylthiophen-2-yl)-2-piperidin-3-ylimidazo[1,2-a]pyrazin-8-amine;5-(4-phenylthiophen-2-yl)-2-[(3S)-piperidin-3-yl]imidazo[1,2-a]pyrazin-8-amine
CID 157328725
CID 159662982
CID 159662982
CID 160019483
CID 160019483
N-[(3R)-3-[4-[(2-benzamidoacetyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,6-dichloro-4-methylpyridine-3-carboxamide;2,6-dichloro-N-[(3R)-3-[4-[(2-imidazol-1-ylacetyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide;ethyl 4-[[[1-[(2R)-4-[(6-chloro-2,4-dimethylpyridine-3-carbonyl)amino]butan-2-yl]piperidin-4-yl]-(thiophen-3-ylmethyl)carbamoyl]amino]benzoate;methyl 3-[[[1-[(2R)-4-[(6-chloro-2,4-dimethylpyridine-3-carbonyl)amino]butan-2-yl]piperidin-4-yl]-(thiophen-3-ylmethyl)carbamoyl]amino]benzoate
CID 160108597
1-(2-chloro-4-methylpyrimidin-5-yl)ethanone;(1R)-1-[2-[(1R)-8-(hydroxymethyl)-7-methylsulfonyl-1-propan-2-yl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl]-4-methylpyrimidin-5-yl]ethanol;(1S)-1-[2-[(1R)-8-(hydroxymethyl)-7-methylsulfonyl-1-propan-2-yl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl]-4-methylpyrimidin-5-yl]ethanol;(1R)-1-[2-[(1S)-8-(hydroxymethyl)-7-methylsulfonyl-1-propan-2-yl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl]-4-methylpyrimidin-5-yl]ethanol;(1S)-1-[2-[(1S)-8-(hydroxymethyl)-7-methylsulfonyl-1-propan-2-yl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl]-4-methylpyrimidin-5-yl]ethanol;methyl (1R)-2-(5-acetyl-4-methylpyrimidin-2-yl)-7-methylsulfonyl-1-propan-2-yl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole-8-carboxylate;methyl (1R)-7-methylsulfonyl-1-propan-2-yl-1,2,3,4-tetrahydropyrazino[1,2-a]benzimidazole-8-carboxylate
CID 160870544
N-[(3R)-3-[4-[[2-(carbamoylamino)acetyl]-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,6-dichloro-4-methylpyridine-3-carboxamide;4-[[[1-[(2R)-4-[(6-chloro-2,4-dimethylpyridine-3-carbonyl)amino]butan-2-yl]piperidin-4-yl]-(thiophen-3-ylmethyl)carbamoyl]amino]benzoic acid;2,6-dichloro-N-[(3R)-3-[4-[(2-imidazol-1-ylacetyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide;ethyl 4-[[[1-[(2R)-4-[(6-chloro-2,4-dimethylpyridine-3-carbonyl)amino]butan-2-yl]piperidin-4-yl]-(thiophen-3-ylmethyl)carbamoyl]amino]benzoate;methyl 3-[[[1-[(2R)-4-[(6-chloro-2,4-dimethylpyridine-3-carbonyl)amino]butan-2-yl]piperidin-4-yl]-(thiophen-3-ylmethyl)carbamoyl]amino]benzoate
CID 161158583
1-(2-chloro-4-methylpyrimidin-5-yl)ethanone;(1R)-1-[2-[(1R)-8-(hydroxymethyl)-7-methylsulfonyl-1-propan-2-yl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl]-4-methylpyrimidin-5-yl]ethanol;(1S)-1-[2-[(1R)-8-(hydroxymethyl)-7-methylsulfonyl-1-propan-2-yl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl]-4-methylpyrimidin-5-yl]ethanol;(1R)-1-[2-[(1S)-8-(hydroxymethyl)-7-methylsulfonyl-1-propan-2-yl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl]-4-methylpyrimidin-5-yl]ethanol;(1S)-1-[2-[(1S)-8-(hydroxymethyl)-7-methylsulfonyl-1-propan-2-yl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl]-4-methylpyrimidin-5-yl]ethanol;methane;methyl (1R)-2-(5-acetyl-4-methylpyrimidin-2-yl)-7-methylsulfonyl-1-propan-2-yl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole-8-carboxylate;[(1R)-7-methylsulfonyl-1-propan-2-yl-1,2,3,4-tetrahydropyrazino[1,2-a]benzimidazol-8-yl]methyl acetate
CID 161784408

Frequently Asked Questions

What is the IUPAC name of 2-(5-chlorothiophen-2-yl)-N-methyl-3-[(1S,3R)-3-[(5-methylthiophene-2-carbonyl)amino]cyclohexyl]imidazo[4,5-b]pyridine-6-carboxamide;N,5-dimethyl-N-[(1S,3R)-3-(5-propanoyl-2-pyridin-2-ylbenzimidazol-1-yl)cyclohexyl]thiophene-2-carboxamide;ethyl 1-[(1S,3R)-3-[2-(5-ethynylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazole-5-carboxylate;bis(ethyl 1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazole-5-carboxylate);N-methyl-3-[(1S,3S)-3-[(5-phenylthiophene-2-carbonyl)amino]cyclohexyl]-2-pyridin-2-ylimidazo[4,5-b]pyridine-6-carboxamide;5-methyl-N-[(1R,3S)-3-(2-pyridin-2-ylimidazo[4,5-b]pyridin-3-yl)cyclohexyl]thiophene-2-carboxamide;3-[(1R,3S)-3-[(5-methylthiophene-2-carbonyl)amino]cyclohexyl]-2-pyridin-2-ylimidazo[4,5-b]pyridine-6-carboxylic acid?
The IUPAC name of 2-(5-chlorothiophen-2-yl)-N-methyl-3-[(1S,3R)-3-[(5-methylthiophene-2-carbonyl)amino]cyclohexyl]imidazo[4,5-b]pyridine-6-carboxamide;N,5-dimethyl-N-[(1S,3R)-3-(5-propanoyl-2-pyridin-2-ylbenzimidazol-1-yl)cyclohexyl]thiophene-2-carboxamide;ethyl 1-[(1S,3R)-3-[2-(5-ethynylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazole-5-carboxylate;bis(ethyl 1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazole-5-carboxylate);N-methyl-3-[(1S,3S)-3-[(5-phenylthiophene-2-carbonyl)amino]cyclohexyl]-2-pyridin-2-ylimidazo[4,5-b]pyridine-6-carboxamide;5-methyl-N-[(1R,3S)-3-(2-pyridin-2-ylimidazo[4,5-b]pyridin-3-yl)cyclohexyl]thiophene-2-carboxamide;3-[(1R,3S)-3-[(5-methylthiophene-2-carbonyl)amino]cyclohexyl]-2-pyridin-2-ylimidazo[4,5-b]pyridine-6-carboxylic acid (CID 167568549) is 2-(5-chlorothiophen-2-yl)-N-methyl-3-[(1S,3R)-3-[(5-methylthiophene-2-carbonyl)amino]cyclohexyl]imidazo[4,5-b]pyridine-6-carboxamide;N,5-dimethyl-N-[(1S,3R)-3-(5-propanoyl-2-pyridin-2-ylbenzimidazol-1-yl)cyclohexyl]thiophene-2-carboxamide;ethyl 1-[(1S,3R)-3-[2-(5-ethynylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazole-5-carboxylate;bis(ethyl 1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazole-5-carboxylate);N-methyl-3-[(1S,3S)-3-[(5-phenylthiophene-2-carbonyl)amino]cyclohexyl]-2-pyridin-2-ylimidazo[4,5-b]pyridine-6-carboxamide;5-methyl-N-[(1R,3S)-3-(2-pyridin-2-ylimidazo[4,5-b]pyridin-3-yl)cyclohexyl]thiophene-2-carboxamide;3-[(1R,3S)-3-[(5-methylthiophene-2-carbonyl)amino]cyclohexyl]-2-pyridin-2-ylimidazo[4,5-b]pyridine-6-carboxylic acid.
What is the SMILES notation for 2-(5-chlorothiophen-2-yl)-N-methyl-3-[(1S,3R)-3-[(5-methylthiophene-2-carbonyl)amino]cyclohexyl]imidazo[4,5-b]pyridine-6-carboxamide;N,5-dimethyl-N-[(1S,3R)-3-(5-propanoyl-2-pyridin-2-ylbenzimidazol-1-yl)cyclohexyl]thiophene-2-carboxamide;ethyl 1-[(1S,3R)-3-[2-(5-ethynylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazole-5-carboxylate;bis(ethyl 1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazole-5-carboxylate);N-methyl-3-[(1S,3S)-3-[(5-phenylthiophene-2-carbonyl)amino]cyclohexyl]-2-pyridin-2-ylimidazo[4,5-b]pyridine-6-carboxamide;5-methyl-N-[(1R,3S)-3-(2-pyridin-2-ylimidazo[4,5-b]pyridin-3-yl)cyclohexyl]thiophene-2-carboxamide;3-[(1R,3S)-3-[(5-methylthiophene-2-carbonyl)amino]cyclohexyl]-2-pyridin-2-ylimidazo[4,5-b]pyridine-6-carboxylic acid?
The canonical SMILES for 2-(5-chlorothiophen-2-yl)-N-methyl-3-[(1S,3R)-3-[(5-methylthiophene-2-carbonyl)amino]cyclohexyl]imidazo[4,5-b]pyridine-6-carboxamide;N,5-dimethyl-N-[(1S,3R)-3-(5-propanoyl-2-pyridin-2-ylbenzimidazol-1-yl)cyclohexyl]thiophene-2-carboxamide;ethyl 1-[(1S,3R)-3-[2-(5-ethynylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazole-5-carboxylate;bis(ethyl 1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazole-5-carboxylate);N-methyl-3-[(1S,3S)-3-[(5-phenylthiophene-2-carbonyl)amino]cyclohexyl]-2-pyridin-2-ylimidazo[4,5-b]pyridine-6-carboxamide;5-methyl-N-[(1R,3S)-3-(2-pyridin-2-ylimidazo[4,5-b]pyridin-3-yl)cyclohexyl]thiophene-2-carboxamide;3-[(1R,3S)-3-[(5-methylthiophene-2-carbonyl)amino]cyclohexyl]-2-pyridin-2-ylimidazo[4,5-b]pyridine-6-carboxylic acid is C#Cc1ccc(C(=O)C[C@@H]2CCC[C@H](n3c(-c4ccccn4)nc4cc(C(=O)OCC)ccc43)C2)s1.CCC(=O)c1ccc2c(c1)nc(-c1ccccn1)n2[C@@H]1CCC[C@H](N(C)C(=O)c2ccc(C)s2)C1.CCOC(=O)c1ccc2c(c1)nc(-c1ccccn1)n2[C@H]1CCC[C@@H](CC(=O)c2ccc(C)s2)C1.CCOC(=O)c1ccc2c(c1)nc(-c1ccccn1)n2[C@H]1CCC[C@@H](CC(=O)c2ccc(C)s2)C1.CNC(=O)c1cnc2c(c1)nc(-c1ccc(Cl)s1)n2[C@H]1CCC[C@@H](NC(=O)c2ccc(C)s2)C1.CNC(=O)c1cnc2c(c1)nc(-c1ccccn1)n2[C@H]1CCC[C@H](NC(=O)c2ccc(-c3ccccc3)s2)C1.Cc1ccc(C(=O)N[C@@H]2CCC[C@H](n3c(-c4ccccn4)nc4cccnc43)C2)s1.Cc1ccc(C(=O)N[C@H]2CCC[C@@H](n3c(-c4ccccn4)nc4cc(C(=O)O)cnc43)C2)s1.
What is the InChIKey of 2-(5-chlorothiophen-2-yl)-N-methyl-3-[(1S,3R)-3-[(5-methylthiophene-2-carbonyl)amino]cyclohexyl]imidazo[4,5-b]pyridine-6-carboxamide;N,5-dimethyl-N-[(1S,3R)-3-(5-propanoyl-2-pyridin-2-ylbenzimidazol-1-yl)cyclohexyl]thiophene-2-carboxamide;ethyl 1-[(1S,3R)-3-[2-(5-ethynylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazole-5-carboxylate;bis(ethyl 1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazole-5-carboxylate);N-methyl-3-[(1S,3S)-3-[(5-phenylthiophene-2-carbonyl)amino]cyclohexyl]-2-pyridin-2-ylimidazo[4,5-b]pyridine-6-carboxamide;5-methyl-N-[(1R,3S)-3-(2-pyridin-2-ylimidazo[4,5-b]pyridin-3-yl)cyclohexyl]thiophene-2-carboxamide;3-[(1R,3S)-3-[(5-methylthiophene-2-carbonyl)amino]cyclohexyl]-2-pyridin-2-ylimidazo[4,5-b]pyridine-6-carboxylic acid?
The InChIKey is FPDWEZDNFMGGNO-PLGKYJNISA-N. The full InChI is InChI=1S/C30H28N6O2S.C29H27N3O3S.C28H30N4O2S.2C28H29N3O3S.C24H24ClN5O2S2.C24H23N5O3S.C23H23N5OS/c1-31-29(37)20-16-24-27(33-18-20)36(28(35-24)23-12-5-6-15-32-23)22-11-7-10-21(17-22)34-30(38)26-14-13-25(39-26)19-8-3-2-4-9-19;1-3-22-12-14-27(36-22)26(33)17-19-8-7-9-21(16-19)32-25-13-11-20(29(34)35-4-2)18-24(25)31-28(32)23-10-5-6-15-30-23;1-4-25(33)19-12-13-24-23(16-19)30-27(22-10-5-6-15-29-22)32(24)21-9-7-8-20(17-21)31(3)28(34)26-14-11-18(2)35-26;2*1-3-34-28(33)20-11-12-24-23(17-20)30-27(22-9-4-5-14-29-22)31(24)21-8-6-7-19(15-21)16-25(32)26-13-10-18(2)35-26;1-13-6-7-19(33-13)24(32)28-15-4-3-5-16(11-15)30-21-17(10-14(12-27-21)23(31)26-2)29-22(30)18-8-9-20(25)34-18;1-14-8-9-20(33-14)23(30)27-16-5-4-6-17(12-16)29-21-19(11-15(13-26-21)24(31)32)28-22(29)18-7-2-3-10-25-18;1-15-10-11-20(30-15)23(29)26-16-6-4-7-17(14-16)28-21-19(9-5-13-25-21)27-22(28)18-8-2-3-12-24-18/h2-6,8-9,12-16,18,21-22H,7,10-11,17H2,1H3,(H,31,37)(H,34,38);1,5-6,10-15,18-19,21H,4,7-9,16-17H2,2H3;5-6,10-16,20-21H,4,7-9,17H2,1-3H3;2*4-5,9-14,17,19,21H,3,6-8,15-16H2,1-2H3;6-10,12,15-16H,3-5,11H2,1-2H3,(H,26,31)(H,28,32);2-3,7-11,13,16-17H,4-6,12H2,1H3,(H,27,30)(H,31,32);2-3,5,8-13,16-17H,4,6-7,14H2,1H3,(H,26,29)/t21-,22-;19-,21+;20-,21+;2*19-,21+;15-,16+;2*16-,17+/m01011101/s1.
What are the key properties of 2-(5-chlorothiophen-2-yl)-N-methyl-3-[(1S,3R)-3-[(5-methylthiophene-2-carbonyl)amino]cyclohexyl]imidazo[4,5-b]pyridine-6-carboxamide;N,5-dimethyl-N-[(1S,3R)-3-(5-propanoyl-2-pyridin-2-ylbenzimidazol-1-yl)cyclohexyl]thiophene-2-carboxamide;ethyl 1-[(1S,3R)-3-[2-(5-ethynylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazole-5-carboxylate;bis(ethyl 1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazole-5-carboxylate);N-methyl-3-[(1S,3S)-3-[(5-phenylthiophene-2-carbonyl)amino]cyclohexyl]-2-pyridin-2-ylimidazo[4,5-b]pyridine-6-carboxamide;5-methyl-N-[(1R,3S)-3-(2-pyridin-2-ylimidazo[4,5-b]pyridin-3-yl)cyclohexyl]thiophene-2-carboxamide;3-[(1R,3S)-3-[(5-methylthiophene-2-carbonyl)amino]cyclohexyl]-2-pyridin-2-ylimidazo[4,5-b]pyridine-6-carboxylic acid?
2-(5-chlorothiophen-2-yl)-N-methyl-3-[(1S,3R)-3-[(5-methylthiophene-2-carbonyl)amino]cyclohexyl]imidazo[4,5-b]pyridine-6-carboxamide;N,5-dimethyl-N-[(1S,3R)-3-(5-propanoyl-2-pyridin-2-ylbenzimidazol-1-yl)cyclohexyl]thiophene-2-carboxamide;ethyl 1-[(1S,3R)-3-[2-(5-ethynylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazole-5-carboxylate;bis(ethyl 1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazole-5-carboxylate);N-methyl-3-[(1S,3S)-3-[(5-phenylthiophene-2-carbonyl)amino]cyclohexyl]-2-pyridin-2-ylimidazo[4,5-b]pyridine-6-carboxamide;5-methyl-N-[(1R,3S)-3-(2-pyridin-2-ylimidazo[4,5-b]pyridin-3-yl)cyclohexyl]thiophene-2-carboxamide;3-[(1R,3S)-3-[(5-methylthiophene-2-carbonyl)amino]cyclohexyl]-2-pyridin-2-ylimidazo[4,5-b]pyridine-6-carboxylic acid has a molecular weight of 3889.33 g/mol, XLogP of 46.14, 47 rotatable bonds, 7 hydrogen bond donors, and 54 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chlorothiophen-2-yl)-N-methyl-3-[(1S,3R)-3-[(5-methylthiophene-2-carbonyl)amino]cyclohexyl]imidazo[4,5-b]pyridine-6-carboxamide;N,5-dimethyl-N-[(1S,3R)-3-(5-propanoyl-2-pyridin-2-ylbenzimidazol-1-yl)cyclohexyl]thiophene-2-carboxamide;ethyl 1-[(1S,3R)-3-[2-(5-ethynylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazole-5-carboxylate;bis(ethyl 1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazole-5-carboxylate);N-methyl-3-[(1S,3S)-3-[(5-phenylthiophene-2-carbonyl)amino]cyclohexyl]-2-pyridin-2-ylimidazo[4,5-b]pyridine-6-carboxamide;5-methyl-N-[(1R,3S)-3-(2-pyridin-2-ylimidazo[4,5-b]pyridin-3-yl)cyclohexyl]thiophene-2-carboxamide;3-[(1R,3S)-3-[(5-methylthiophene-2-carbonyl)amino]cyclohexyl]-2-pyridin-2-ylimidazo[4,5-b]pyridine-6-carboxylic acid is sourced from PubChem (CID 167568549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).