N-[(1R,3S)-3-(6-chloro-2-pyridin-2-ylimidazo[4,5-c]pyridin-3-yl)cyclohexyl]-5-methylthiophene-2-carboxamide;5-[(5-chlorothiophene-2-carbonyl)amino]-N-methyl-6-[[(1S,3R)-3-[(5-methylthiophene-2-carbonyl)amino]cyclohexyl]amino]pyridine-3-carboxamide;N-[(1R,3S)-3-[2-(3-fluoro-2-pyridinyl)imidazo[4,5-c]pyridin-3-yl]cyclohexyl]-5-methylthiophene-2-carboxamide;2-[(4-methoxy-3-methylphenyl)methyl]-4-pyrrolidin-1-ylquinazoline;N-methyl-3-[(1S,3R)-3-[(5-methylthiophene-2-carbonyl)amino]cyclohexyl]-2-phenylimidazo[4,5-c]pyridine-6-carboxamide;5-methyl-N-[(1R,3S)-3-(2-pyridin-2-ylimidazo[4,5-c]pyridin-3-yl)cyclohexyl]thiophene-2-carboxamide

C140H143Cl2FN28O9S6 — CID 167615122

About N-[(1R,3S)-3-(6-chloro-2-pyridin-2-ylimidazo[4,5-c]pyridin-3-yl)cyclohexyl]-5-methylthiophene-2-carboxamide;5-[(5-chlorothiophene-2-carbonyl)amino]-N-methyl-6-[[(1S,3R)-3-[(5-methylthiophene-2-carbonyl)amino]cyclohexyl]amino]pyridine-3-carboxamide;N-[(1R,3S)-3-[2-(3-fluoro-2-pyridinyl)imidazo[4,5-c]pyridin-3-yl]cyclohexyl]-5-methylthiophene-2-carboxamide;2-[(4-methoxy-3-methylphenyl)methyl]-4-pyrrolidin-1-ylquinazoline;N-methyl-3-[(1S,3R)-3-[(5-methylthiophene-2-carbonyl)amino]cyclohexyl]-2-phenylimidazo[4,5-c]pyridine-6-carboxamide;5-methyl-N-[(1R,3S)-3-(2-pyridin-2-ylimidazo[4,5-c]pyridin-3-yl)cyclohexyl]thiophene-2-carboxamide

N-[(1R,3S)-3-(6-chloro-2-pyridin-2-ylimidazo[4,5-c]pyridin-3-yl)cyclohexyl]-5-methylthiophene-2-carboxamide;5-[(5-chlorothiophene-2-carbonyl)amino]-N-methyl-6-[[(1S,3R)-3-[(5-methylthiophene-2-carbonyl)amino]cyclohexyl]amino]pyridine-3-carboxamide;N-[(1R,3S)-3-[2-(3-fluoro-2-pyridinyl)imidazo[4,5-c]pyridin-3-yl]cyclohexyl]-5-methylthiophene-2-carboxamide;2-[(4-methoxy-3-methylphenyl)methyl]-4-pyrrolidin-1-ylquinazoline;N-methyl-3-[(1S,3R)-3-[(5-methylthiophene-2-carbonyl)amino]cyclohexyl]-2-phenylimidazo[4,5-c]pyridine-6-carboxamide;5-methyl-N-[(1R,3S)-3-(2-pyridin-2-ylimidazo[4,5-c]pyridin-3-yl)cyclohexyl]thiophene-2-carboxamide (PubChem CID 167615122) has the molecular formula C140H143Cl2FN28O9S6 and a molecular weight of 2644.18 g/mol. Its IUPAC name is N-[(1R,3S)-3-(6-chloro-2-pyridin-2-ylimidazo[4,5-c]pyridin-3-yl)cyclohexyl]-5-methylthiophene-2-carboxamide;5-[(5-chlorothiophene-2-carbonyl)amino]-N-methyl-6-[[(1S,3R)-3-[(5-methylthiophene-2-carbonyl)amino]cyclohexyl]amino]pyridine-3-carboxamide;N-[(1R,3S)-3-[2-(3-fluoro-2-pyridinyl)imidazo[4,5-c]pyridin-3-yl]cyclohexyl]-5-methylthiophene-2-carboxamide;2-[(4-methoxy-3-methylphenyl)methyl]-4-pyrrolidin-1-ylquinazoline;N-methyl-3-[(1S,3R)-3-[(5-methylthiophene-2-carbonyl)amino]cyclohexyl]-2-phenylimidazo[4,5-c]pyridine-6-carboxamide;5-methyl-N-[(1R,3S)-3-(2-pyridin-2-ylimidazo[4,5-c]pyridin-3-yl)cyclohexyl]thiophene-2-carboxamide.

Molecular Properties

• Compound Name: N-[(1R,3S)-3-(6-chloro-2-pyridin-2-ylimidazo[4,5-c]pyridin-3-yl)cyclohexyl]-5-methylthiophene-2-carboxamide;5-[(5-chlorothiophene-2-carbonyl)amino]-N-methyl-6-[[(1S,3R)-3-[(5-methylthiophene-2-carbonyl)amino]cyclohexyl]amino]pyridine-3-carboxamide;N-[(1R,3S)-3-[2-(3-fluoro-2-pyridinyl)imidazo[4,5-c]pyridin-3-yl]cyclohexyl]-5-methylthiophene-2-carboxamide;2-[(4-methoxy-3-methylphenyl)methyl]-4-pyrrolidin-1-ylquinazoline;N-methyl-3-[(1S,3R)-3-[(5-methylthiophene-2-carbonyl)amino]cyclohexyl]-2-phenylimidazo[4,5-c]pyridine-6-carboxamide;5-methyl-N-[(1R,3S)-3-(2-pyridin-2-ylimidazo[4,5-c]pyridin-3-yl)cyclohexyl]thiophene-2-carboxamide
• PubChem CID: 167615122
• Molecular Formula: C140H143Cl2FN28O9S6
• Molecular Weight: 2644.18 g/mol
• Exact Mass: 2640.93
• IUPAC Name: N-[(1R,3S)-3-(6-chloro-2-pyridin-2-ylimidazo[4,5-c]pyridin-3-yl)cyclohexyl]-5-methylthiophene-2-carboxamide;5-[(5-chlorothiophene-2-carbonyl)amino]-N-methyl-6-[[(1S,3R)-3-[(5-methylthiophene-2-carbonyl)amino]cyclohexyl]amino]pyridine-3-carboxamide;N-[(1R,3S)-3-[2-(3-fluoro-2-pyridinyl)imidazo[4,5-c]pyridin-3-yl]cyclohexyl]-5-methylthiophene-2-carboxamide;2-[(4-methoxy-3-methylphenyl)methyl]-4-pyrrolidin-1-ylquinazoline;N-methyl-3-[(1S,3R)-3-[(5-methylthiophene-2-carbonyl)amino]cyclohexyl]-2-phenylimidazo[4,5-c]pyridine-6-carboxamide;5-methyl-N-[(1R,3S)-3-(2-pyridin-2-ylimidazo[4,5-c]pyridin-3-yl)cyclohexyl]thiophene-2-carboxamide
• SMILES: CNC(=O)c1cc2nc(-c3ccccc3)n([C@H]3CCC[C@@H](NC(=O)c4ccc(C)s4)C3)c2cn1.CNC(=O)c1cnc(N[C@H]2CCC[C@@H](NC(=O)c3ccc(C)s3)C2)c(NC(=O)c2ccc(Cl)s2)c1.COc1ccc(Cc2nc(N3CCCC3)c3ccccc3n2)cc1C.Cc1ccc(C(=O)N[C@@H]2CCC[C@H](n3c(-c4ccccn4)nc4cc(Cl)ncc43)C2)s1.Cc1ccc(C(=O)N[C@@H]2CCC[C@H](n3c(-c4ccccn4)nc4ccncc43)C2)s1.Cc1ccc(C(=O)N[C@@H]2CCC[C@H](n3c(-c4ncccc4F)nc4ccncc43)C2)s1
• InChI: InChI=1S/C26H27N5O2S.C24H26ClN5O3S2.C23H22ClN5OS.C23H22FN5OS.C23H23N5OS.C21H23N3O/c1-16-11-12-23(34-16)26(33)29-18-9-6-10-19(13-18)31-22-15-28-21(25(32)27-2)14-20(22)30-24(31)17-7-4-3-5-8-17;1-13-6-7-18(34-13)23(32)29-16-5-3-4-15(11-16)28-21-17(10-14(12-27-21)22(31)26-2)30-24(33)19-8-9-20(25)35-19;1-14-8-9-20(31-14)23(30)27-15-5-4-6-16(11-15)29-19-13-26-21(24)12-18(19)28-22(29)17-7-2-3-10-25-17;1-14-7-8-20(31-14)23(30)27-15-4-2-5-16(12-15)29-19-13-25-11-9-18(19)28-22(29)21-17(24)6-3-10-26-21;1-15-8-9-21(30-15)23(29)26-16-5-4-6-17(13-16)28-20-14-24-12-10-18(20)27-22(28)19-7-2-3-11-25-19;1-15-13-16(9-10-19(15)25-2)14-20-22-18-8-4-3-7-17(18)21(23-20)24-11-5-6-12-24/h3-5,7-8,11-12,14-15,18-19H,6,9-10,13H2,1-2H3,(H,27,32)(H,29,33);6-10,12,15-16H,3-5,11H2,1-2H3,(H,26,31)(H,27,28)(H,29,32)(H,30,33);2-3,7-10,12-13,15-16H,4-6,11H2,1H3,(H,27,30);3,6-11,13,15-16H,2,4-5,12H2,1H3,(H,27,30);2-3,7-12,14,16-17H,4-6,13H2,1H3,(H,26,29);3-4,7-10,13H,5-6,11-12,14H2,1-2H3/t18-,19+;3*15-,16+;16-,17+;/m10111./s1
• InChIKey: LQAPASJLYAMJNK-BTGWYVJPSA-N
• XLogP: 28.93
• TPSA: 457.48 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 35
• Rotatable Bonds: 28
• Heavy Atoms: 186
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2644.18
LogP ≤ 5	28.93
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	35

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[(1R,3S)-3-(6-chloro-2-pyridin-2-ylimidazo[4,5-c]pyridin-3-yl)cyclohexyl]-5-methylthiophene-2-carboxamide;5-[(5-chlorothiophene-2-carbonyl)amino]-N-methyl-6-[[(1S,3R)-3-[(5-methylthiophene-2-carbonyl)amino]cyclohexyl]amino]pyridine-3-carboxamide;N-[(1R,3S)-3-[2-(3-fluoro-2-pyridinyl)imidazo[4,5-c]pyridin-3-yl]cyclohexyl]-5-methylthiophene-2-carboxamide;2-[(4-methoxy-3-methylphenyl)methyl]-4-pyrrolidin-1-ylquinazoline;N-methyl-3-[(1S,3R)-3-[(5-methylthiophene-2-carbonyl)amino]cyclohexyl]-2-phenylimidazo[4,5-c]pyridine-6-carboxamide;5-methyl-N-[(1R,3S)-3-(2-pyridin-2-ylimidazo[4,5-c]pyridin-3-yl)cyclohexyl]thiophene-2-carboxamide?

The IUPAC name of N-[(1R,3S)-3-(6-chloro-2-pyridin-2-ylimidazo[4,5-c]pyridin-3-yl)cyclohexyl]-5-methylthiophene-2-carboxamide;5-[(5-chlorothiophene-2-carbonyl)amino]-N-methyl-6-[[(1S,3R)-3-[(5-methylthiophene-2-carbonyl)amino]cyclohexyl]amino]pyridine-3-carboxamide;N-[(1R,3S)-3-[2-(3-fluoro-2-pyridinyl)imidazo[4,5-c]pyridin-3-yl]cyclohexyl]-5-methylthiophene-2-carboxamide;2-[(4-methoxy-3-methylphenyl)methyl]-4-pyrrolidin-1-ylquinazoline;N-methyl-3-[(1S,3R)-3-[(5-methylthiophene-2-carbonyl)amino]cyclohexyl]-2-phenylimidazo[4,5-c]pyridine-6-carboxamide;5-methyl-N-[(1R,3S)-3-(2-pyridin-2-ylimidazo[4,5-c]pyridin-3-yl)cyclohexyl]thiophene-2-carboxamide (CID 167615122) is N-[(1R,3S)-3-(6-chloro-2-pyridin-2-ylimidazo[4,5-c]pyridin-3-yl)cyclohexyl]-5-methylthiophene-2-carboxamide;5-[(5-chlorothiophene-2-carbonyl)amino]-N-methyl-6-[[(1S,3R)-3-[(5-methylthiophene-2-carbonyl)amino]cyclohexyl]amino]pyridine-3-carboxamide;N-[(1R,3S)-3-[2-(3-fluoro-2-pyridinyl)imidazo[4,5-c]pyridin-3-yl]cyclohexyl]-5-methylthiophene-2-carboxamide;2-[(4-methoxy-3-methylphenyl)methyl]-4-pyrrolidin-1-ylquinazoline;N-methyl-3-[(1S,3R)-3-[(5-methylthiophene-2-carbonyl)amino]cyclohexyl]-2-phenylimidazo[4,5-c]pyridine-6-carboxamide;5-methyl-N-[(1R,3S)-3-(2-pyridin-2-ylimidazo[4,5-c]pyridin-3-yl)cyclohexyl]thiophene-2-carboxamide.

What is the SMILES notation for N-[(1R,3S)-3-(6-chloro-2-pyridin-2-ylimidazo[4,5-c]pyridin-3-yl)cyclohexyl]-5-methylthiophene-2-carboxamide;5-[(5-chlorothiophene-2-carbonyl)amino]-N-methyl-6-[[(1S,3R)-3-[(5-methylthiophene-2-carbonyl)amino]cyclohexyl]amino]pyridine-3-carboxamide;N-[(1R,3S)-3-[2-(3-fluoro-2-pyridinyl)imidazo[4,5-c]pyridin-3-yl]cyclohexyl]-5-methylthiophene-2-carboxamide;2-[(4-methoxy-3-methylphenyl)methyl]-4-pyrrolidin-1-ylquinazoline;N-methyl-3-[(1S,3R)-3-[(5-methylthiophene-2-carbonyl)amino]cyclohexyl]-2-phenylimidazo[4,5-c]pyridine-6-carboxamide;5-methyl-N-[(1R,3S)-3-(2-pyridin-2-ylimidazo[4,5-c]pyridin-3-yl)cyclohexyl]thiophene-2-carboxamide?

The canonical SMILES for N-[(1R,3S)-3-(6-chloro-2-pyridin-2-ylimidazo[4,5-c]pyridin-3-yl)cyclohexyl]-5-methylthiophene-2-carboxamide;5-[(5-chlorothiophene-2-carbonyl)amino]-N-methyl-6-[[(1S,3R)-3-[(5-methylthiophene-2-carbonyl)amino]cyclohexyl]amino]pyridine-3-carboxamide;N-[(1R,3S)-3-[2-(3-fluoro-2-pyridinyl)imidazo[4,5-c]pyridin-3-yl]cyclohexyl]-5-methylthiophene-2-carboxamide;2-[(4-methoxy-3-methylphenyl)methyl]-4-pyrrolidin-1-ylquinazoline;N-methyl-3-[(1S,3R)-3-[(5-methylthiophene-2-carbonyl)amino]cyclohexyl]-2-phenylimidazo[4,5-c]pyridine-6-carboxamide;5-methyl-N-[(1R,3S)-3-(2-pyridin-2-ylimidazo[4,5-c]pyridin-3-yl)cyclohexyl]thiophene-2-carboxamide is CNC(=O)c1cc2nc(-c3ccccc3)n([C@H]3CCC[C@@H](NC(=O)c4ccc(C)s4)C3)c2cn1.CNC(=O)c1cnc(N[C@H]2CCC[C@@H](NC(=O)c3ccc(C)s3)C2)c(NC(=O)c2ccc(Cl)s2)c1.COc1ccc(Cc2nc(N3CCCC3)c3ccccc3n2)cc1C.Cc1ccc(C(=O)N[C@@H]2CCC[C@H](n3c(-c4ccccn4)nc4cc(Cl)ncc43)C2)s1.Cc1ccc(C(=O)N[C@@H]2CCC[C@H](n3c(-c4ccccn4)nc4ccncc43)C2)s1.Cc1ccc(C(=O)N[C@@H]2CCC[C@H](n3c(-c4ncccc4F)nc4ccncc43)C2)s1.

What is the InChIKey of N-[(1R,3S)-3-(6-chloro-2-pyridin-2-ylimidazo[4,5-c]pyridin-3-yl)cyclohexyl]-5-methylthiophene-2-carboxamide;5-[(5-chlorothiophene-2-carbonyl)amino]-N-methyl-6-[[(1S,3R)-3-[(5-methylthiophene-2-carbonyl)amino]cyclohexyl]amino]pyridine-3-carboxamide;N-[(1R,3S)-3-[2-(3-fluoro-2-pyridinyl)imidazo[4,5-c]pyridin-3-yl]cyclohexyl]-5-methylthiophene-2-carboxamide;2-[(4-methoxy-3-methylphenyl)methyl]-4-pyrrolidin-1-ylquinazoline;N-methyl-3-[(1S,3R)-3-[(5-methylthiophene-2-carbonyl)amino]cyclohexyl]-2-phenylimidazo[4,5-c]pyridine-6-carboxamide;5-methyl-N-[(1R,3S)-3-(2-pyridin-2-ylimidazo[4,5-c]pyridin-3-yl)cyclohexyl]thiophene-2-carboxamide?

The InChIKey is LQAPASJLYAMJNK-BTGWYVJPSA-N. The full InChI is InChI=1S/C26H27N5O2S.C24H26ClN5O3S2.C23H22ClN5OS.C23H22FN5OS.C23H23N5OS.C21H23N3O/c1-16-11-12-23(34-16)26(33)29-18-9-6-10-19(13-18)31-22-15-28-21(25(32)27-2)14-20(22)30-24(31)17-7-4-3-5-8-17;1-13-6-7-18(34-13)23(32)29-16-5-3-4-15(11-16)28-21-17(10-14(12-27-21)22(31)26-2)30-24(33)19-8-9-20(25)35-19;1-14-8-9-20(31-14)23(30)27-15-5-4-6-16(11-15)29-19-13-26-21(24)12-18(19)28-22(29)17-7-2-3-10-25-17;1-14-7-8-20(31-14)23(30)27-15-4-2-5-16(12-15)29-19-13-25-11-9-18(19)28-22(29)21-17(24)6-3-10-26-21;1-15-8-9-21(30-15)23(29)26-16-5-4-6-17(13-16)28-20-14-24-12-10-18(20)27-22(28)19-7-2-3-11-25-19;1-15-13-16(9-10-19(15)25-2)14-20-22-18-8-4-3-7-17(18)21(23-20)24-11-5-6-12-24/h3-5,7-8,11-12,14-15,18-19H,6,9-10,13H2,1-2H3,(H,27,32)(H,29,33);6-10,12,15-16H,3-5,11H2,1-2H3,(H,26,31)(H,27,28)(H,29,32)(H,30,33);2-3,7-10,12-13,15-16H,4-6,11H2,1H3,(H,27,30);3,6-11,13,15-16H,2,4-5,12H2,1H3,(H,27,30);2-3,7-12,14,16-17H,4-6,13H2,1H3,(H,26,29);3-4,7-10,13H,5-6,11-12,14H2,1-2H3/t18-,19+;3*15-,16+;16-,17+;/m10111./s1.

What are the key properties of N-[(1R,3S)-3-(6-chloro-2-pyridin-2-ylimidazo[4,5-c]pyridin-3-yl)cyclohexyl]-5-methylthiophene-2-carboxamide;5-[(5-chlorothiophene-2-carbonyl)amino]-N-methyl-6-[[(1S,3R)-3-[(5-methylthiophene-2-carbonyl)amino]cyclohexyl]amino]pyridine-3-carboxamide;N-[(1R,3S)-3-[2-(3-fluoro-2-pyridinyl)imidazo[4,5-c]pyridin-3-yl]cyclohexyl]-5-methylthiophene-2-carboxamide;2-[(4-methoxy-3-methylphenyl)methyl]-4-pyrrolidin-1-ylquinazoline;N-methyl-3-[(1S,3R)-3-[(5-methylthiophene-2-carbonyl)amino]cyclohexyl]-2-phenylimidazo[4,5-c]pyridine-6-carboxamide;5-methyl-N-[(1R,3S)-3-(2-pyridin-2-ylimidazo[4,5-c]pyridin-3-yl)cyclohexyl]thiophene-2-carboxamide?

N-[(1R,3S)-3-(6-chloro-2-pyridin-2-ylimidazo[4,5-c]pyridin-3-yl)cyclohexyl]-5-methylthiophene-2-carboxamide;5-[(5-chlorothiophene-2-carbonyl)amino]-N-methyl-6-[[(1S,3R)-3-[(5-methylthiophene-2-carbonyl)amino]cyclohexyl]amino]pyridine-3-carboxamide;N-[(1R,3S)-3-[2-(3-fluoro-2-pyridinyl)imidazo[4,5-c]pyridin-3-yl]cyclohexyl]-5-methylthiophene-2-carboxamide;2-[(4-methoxy-3-methylphenyl)methyl]-4-pyrrolidin-1-ylquinazoline;N-methyl-3-[(1S,3R)-3-[(5-methylthiophene-2-carbonyl)amino]cyclohexyl]-2-phenylimidazo[4,5-c]pyridine-6-carboxamide;5-methyl-N-[(1R,3S)-3-(2-pyridin-2-ylimidazo[4,5-c]pyridin-3-yl)cyclohexyl]thiophene-2-carboxamide has a molecular weight of 2644.18 g/mol, XLogP of 28.93, 28 rotatable bonds, 9 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1R,3S)-3-(6-chloro-2-pyridin-2-ylimidazo[4,5-c]pyridin-3-yl)cyclohexyl]-5-methylthiophene-2-carboxamide;5-[(5-chlorothiophene-2-carbonyl)amino]-N-methyl-6-[[(1S,3R)-3-[(5-methylthiophene-2-carbonyl)amino]cyclohexyl]amino]pyridine-3-carboxamide;N-[(1R,3S)-3-[2-(3-fluoro-2-pyridinyl)imidazo[4,5-c]pyridin-3-yl]cyclohexyl]-5-methylthiophene-2-carboxamide;2-[(4-methoxy-3-methylphenyl)methyl]-4-pyrrolidin-1-ylquinazoline;N-methyl-3-[(1S,3R)-3-[(5-methylthiophene-2-carbonyl)amino]cyclohexyl]-2-phenylimidazo[4,5-c]pyridine-6-carboxamide;5-methyl-N-[(1R,3S)-3-(2-pyridin-2-ylimidazo[4,5-c]pyridin-3-yl)cyclohexyl]thiophene-2-carboxamide is sourced from PubChem (CID 167615122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).