sodium;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;bis(methyl 3-cyclopropyl-2-[(4-methylcyclohexyl)methyl]imidazo[4,5-b]pyridine-6-carboxylate);hydroxide;hydrochloride

C92H122ClN14NaO12S2 — CID 160767199

About sodium;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;bis(methyl 3-cyclopropyl-2-[(4-methylcyclohexyl)methyl]imidazo[4,5-b]pyridine-6-carboxylate);hydroxide;hydrochloride

sodium;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;bis(methyl 3-cyclopropyl-2-[(4-methylcyclohexyl)methyl]imidazo[4,5-b]pyridine-6-carboxylate);hydroxide;hydrochloride (PubChem CID 160767199) has the molecular formula C92H122ClN14NaO12S2 and a molecular weight of 1738.65 g/mol. Its IUPAC name is sodium;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;bis(methyl 3-cyclopropyl-2-[(4-methylcyclohexyl)methyl]imidazo[4,5-b]pyridine-6-carboxylate);hydroxide;hydrochloride.

Molecular Properties

• Compound Name: sodium;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;bis(methyl 3-cyclopropyl-2-[(4-methylcyclohexyl)methyl]imidazo[4,5-b]pyridine-6-carboxylate);hydroxide;hydrochloride
• PubChem CID: 160767199
• Molecular Formula: C92H122ClN14NaO12S2
• Molecular Weight: 1738.65 g/mol
• Exact Mass: 1736.84
• IUPAC Name: sodium;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;bis(methyl 3-cyclopropyl-2-[(4-methylcyclohexyl)methyl]imidazo[4,5-b]pyridine-6-carboxylate);hydroxide;hydrochloride
• SMILES: CC1CCC(Cc2nc3cc(C(=O)O)cnc3n2C2CC2)CC1.CCS(=O)(=O)c1ccc(CN)cc1.CCS(=O)(=O)c1ccc(CNC(=O)c2cnc3c(c2)nc(CC2CCC(C)CC2)n3C2CC2)cc1.COC(=O)c1cnc2c(c1)nc(CC1CCC(C)CC1)n2C1CC1.COC(=O)c1cnc2c(c1)nc(CC1CCC(C)CC1)n2C1CC1.Cl.[Na+].[OH-]
• InChI: InChI=1S/C27H34N4O3S.2C19H25N3O2.C18H23N3O2.C9H13NO2S.ClH.Na.H2O/c1-3-35(33,34)23-12-8-20(9-13-23)16-29-27(32)21-15-24-26(28-17-21)31(22-10-11-22)25(30-24)14-19-6-4-18(2)5-7-19;2*1-12-3-5-13(6-4-12)9-17-21-16-10-14(19(23)24-2)11-20-18(16)22(17)15-7-8-15;1-11-2-4-12(5-3-11)8-16-20-15-9-13(18(22)23)10-19-17(15)21(16)14-6-7-14;1-2-13(11,12)9-5-3-8(7-10)4-6-9;;;/h8-9,12-13,15,17-19,22H,3-7,10-11,14,16H2,1-2H3,(H,29,32);2*10-13,15H,3-9H2,1-2H3;9-12,14H,2-8H2,1H3,(H,22,23);3-6H,2,7,10H2,1H3;1H;;1H2/q;;;;;;+1;/p-1
• InChIKey: VNSSATQTXWSOLJ-UHFFFAOYSA-M
• XLogP: 14.72
• TPSA: 366.14 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 24
• Rotatable Bonds: 23
• Heavy Atoms: 122
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1738.65
LogP ≤ 5	14.72
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	24

Frequently Asked Questions

What is the IUPAC name of sodium;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;bis(methyl 3-cyclopropyl-2-[(4-methylcyclohexyl)methyl]imidazo[4,5-b]pyridine-6-carboxylate);hydroxide;hydrochloride?

The IUPAC name of sodium;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;bis(methyl 3-cyclopropyl-2-[(4-methylcyclohexyl)methyl]imidazo[4,5-b]pyridine-6-carboxylate);hydroxide;hydrochloride (CID 160767199) is sodium;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;bis(methyl 3-cyclopropyl-2-[(4-methylcyclohexyl)methyl]imidazo[4,5-b]pyridine-6-carboxylate);hydroxide;hydrochloride.

What is the SMILES notation for sodium;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;bis(methyl 3-cyclopropyl-2-[(4-methylcyclohexyl)methyl]imidazo[4,5-b]pyridine-6-carboxylate);hydroxide;hydrochloride?

The canonical SMILES for sodium;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;bis(methyl 3-cyclopropyl-2-[(4-methylcyclohexyl)methyl]imidazo[4,5-b]pyridine-6-carboxylate);hydroxide;hydrochloride is CC1CCC(Cc2nc3cc(C(=O)O)cnc3n2C2CC2)CC1.CCS(=O)(=O)c1ccc(CN)cc1.CCS(=O)(=O)c1ccc(CNC(=O)c2cnc3c(c2)nc(CC2CCC(C)CC2)n3C2CC2)cc1.COC(=O)c1cnc2c(c1)nc(CC1CCC(C)CC1)n2C1CC1.COC(=O)c1cnc2c(c1)nc(CC1CCC(C)CC1)n2C1CC1.Cl.[Na+].[OH-].

What is the InChIKey of sodium;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;bis(methyl 3-cyclopropyl-2-[(4-methylcyclohexyl)methyl]imidazo[4,5-b]pyridine-6-carboxylate);hydroxide;hydrochloride?

The InChIKey is VNSSATQTXWSOLJ-UHFFFAOYSA-M. The full InChI is InChI=1S/C27H34N4O3S.2C19H25N3O2.C18H23N3O2.C9H13NO2S.ClH.Na.H2O/c1-3-35(33,34)23-12-8-20(9-13-23)16-29-27(32)21-15-24-26(28-17-21)31(22-10-11-22)25(30-24)14-19-6-4-18(2)5-7-19;2*1-12-3-5-13(6-4-12)9-17-21-16-10-14(19(23)24-2)11-20-18(16)22(17)15-7-8-15;1-11-2-4-12(5-3-11)8-16-20-15-9-13(18(22)23)10-19-17(15)21(16)14-6-7-14;1-2-13(11,12)9-5-3-8(7-10)4-6-9;;;/h8-9,12-13,15,17-19,22H,3-7,10-11,14,16H2,1-2H3,(H,29,32);2*10-13,15H,3-9H2,1-2H3;9-12,14H,2-8H2,1H3,(H,22,23);3-6H,2,7,10H2,1H3;1H;;1H2/q;;;;;;+1;/p-1.

What are the key properties of sodium;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;bis(methyl 3-cyclopropyl-2-[(4-methylcyclohexyl)methyl]imidazo[4,5-b]pyridine-6-carboxylate);hydroxide;hydrochloride?

sodium;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;bis(methyl 3-cyclopropyl-2-[(4-methylcyclohexyl)methyl]imidazo[4,5-b]pyridine-6-carboxylate);hydroxide;hydrochloride has a molecular weight of 1738.65 g/mol, XLogP of 14.72, 23 rotatable bonds, 3 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for sodium;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;bis(methyl 3-cyclopropyl-2-[(4-methylcyclohexyl)methyl]imidazo[4,5-b]pyridine-6-carboxylate);hydroxide;hydrochloride is sourced from PubChem (CID 160767199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).