N-[2-chloro-3-[3-[(5-cyclopentyl-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carbonyl)amino]-2-methylphenyl]phenyl]-5-(2-cyclohexylethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide

C42H53ClN8O2 — CID 175763833

About N-[2-chloro-3-[3-[(5-cyclopentyl-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carbonyl)amino]-2-methylphenyl]phenyl]-5-(2-cyclohexylethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide

N-[2-chloro-3-[3-[(5-cyclopentyl-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carbonyl)amino]-2-methylphenyl]phenyl]-5-(2-cyclohexylethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide (PubChem CID 175763833) has the molecular formula C42H53ClN8O2 and a molecular weight of 737.39 g/mol. Its IUPAC name is N-[2-chloro-3-[3-[(5-cyclopentyl-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carbonyl)amino]-2-methylphenyl]phenyl]-5-(2-cyclohexylethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: N-[2-chloro-3-[3-[(5-cyclopentyl-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carbonyl)amino]-2-methylphenyl]phenyl]-5-(2-cyclohexylethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide
• PubChem CID: 175763833
• Molecular Formula: C42H53ClN8O2
• Molecular Weight: 737.39 g/mol
• Exact Mass: 736.40
• IUPAC Name: N-[2-chloro-3-[3-[(5-cyclopentyl-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carbonyl)amino]-2-methylphenyl]phenyl]-5-(2-cyclohexylethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide
• SMILES: Cc1c(NC(=O)c2nc3c(n2C)CCN(C2CCCC2)C3)cccc1-c1cccc(NC(=O)c2nc3c(n2C)CCN(CCC2CCCCC2)C3)c1Cl
• InChI: InChI=1S/C42H53ClN8O2/c1-27-30(15-9-17-32(27)46-41(52)39-45-35-26-51(29-13-7-8-14-29)24-21-37(35)49(39)3)31-16-10-18-33(38(31)43)47-42(53)40-44-34-25-50(23-20-36(34)48(40)2)22-19-28-11-5-4-6-12-28/h9-10,15-18,28-29H,4-8,11-14,19-26H2,1-3H3,(H,46,52)(H,47,53)
• InChIKey: NFXWXIFPLYJFOD-UHFFFAOYSA-N
• XLogP: 7.92
• TPSA: 100.32 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	737.39
LogP ≤ 5	7.92
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-3-[3-[(5-cyclopentyl-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carbonyl)amino]-2-methylphenyl]phenyl]-5-(2-cyclohexylethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide?

The IUPAC name of N-[2-chloro-3-[3-[(5-cyclopentyl-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carbonyl)amino]-2-methylphenyl]phenyl]-5-(2-cyclohexylethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide (CID 175763833) is N-[2-chloro-3-[3-[(5-cyclopentyl-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carbonyl)amino]-2-methylphenyl]phenyl]-5-(2-cyclohexylethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide.

What is the SMILES notation for N-[2-chloro-3-[3-[(5-cyclopentyl-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carbonyl)amino]-2-methylphenyl]phenyl]-5-(2-cyclohexylethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide?

The canonical SMILES for N-[2-chloro-3-[3-[(5-cyclopentyl-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carbonyl)amino]-2-methylphenyl]phenyl]-5-(2-cyclohexylethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide is Cc1c(NC(=O)c2nc3c(n2C)CCN(C2CCCC2)C3)cccc1-c1cccc(NC(=O)c2nc3c(n2C)CCN(CCC2CCCCC2)C3)c1Cl.

What is the InChIKey of N-[2-chloro-3-[3-[(5-cyclopentyl-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carbonyl)amino]-2-methylphenyl]phenyl]-5-(2-cyclohexylethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide?

The InChIKey is NFXWXIFPLYJFOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H53ClN8O2/c1-27-30(15-9-17-32(27)46-41(52)39-45-35-26-51(29-13-7-8-14-29)24-21-37(35)49(39)3)31-16-10-18-33(38(31)43)47-42(53)40-44-34-25-50(23-20-36(34)48(40)2)22-19-28-11-5-4-6-12-28/h9-10,15-18,28-29H,4-8,11-14,19-26H2,1-3H3,(H,46,52)(H,47,53).

What are the key properties of N-[2-chloro-3-[3-[(5-cyclopentyl-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carbonyl)amino]-2-methylphenyl]phenyl]-5-(2-cyclohexylethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide?

N-[2-chloro-3-[3-[(5-cyclopentyl-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carbonyl)amino]-2-methylphenyl]phenyl]-5-(2-cyclohexylethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide has a molecular weight of 737.39 g/mol, XLogP of 7.92, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-chloro-3-[3-[(5-cyclopentyl-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carbonyl)amino]-2-methylphenyl]phenyl]-5-(2-cyclohexylethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide is sourced from PubChem (CID 175763833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).