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

C32H35ClN6O4 — CID 175976329

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

N-[2-chloro-3-[3-[[5-(hydroxymethyl)-4-(methoxymethyl)pyridine-2-carbonyl]amino]-2-methylphenyl]phenyl]-5-ethyl-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide (PubChem CID 175976329) has the molecular formula C32H35ClN6O4 and a molecular weight of 603.12 g/mol. Its IUPAC name is N-[2-chloro-3-[3-[[5-(hydroxymethyl)-4-(methoxymethyl)pyridine-2-carbonyl]amino]-2-methylphenyl]phenyl]-5-ethyl-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: N-[2-chloro-3-[3-[[5-(hydroxymethyl)-4-(methoxymethyl)pyridine-2-carbonyl]amino]-2-methylphenyl]phenyl]-5-ethyl-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide
• PubChem CID: 175976329
• Molecular Formula: C32H35ClN6O4
• Molecular Weight: 603.12 g/mol
• Exact Mass: 602.24
• IUPAC Name: N-[2-chloro-3-[3-[[5-(hydroxymethyl)-4-(methoxymethyl)pyridine-2-carbonyl]amino]-2-methylphenyl]phenyl]-5-ethyl-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide
• SMILES: CCN1CCc2c(nc(C(=O)Nc3cccc(-c4cccc(NC(=O)c5cc(COC)c(CO)cn5)c4C)c3Cl)n2C)C1
• InChI: InChI=1S/C32H35ClN6O4/c1-5-39-13-12-28-27(16-39)35-30(38(28)3)32(42)37-25-11-7-9-23(29(25)33)22-8-6-10-24(19(22)2)36-31(41)26-14-20(18-43-4)21(17-40)15-34-26/h6-11,14-15,40H,5,12-13,16-18H2,1-4H3,(H,36,41)(H,37,42)
• InChIKey: IDXDKGKHXZDXTB-UHFFFAOYSA-N
• XLogP: 4.97
• TPSA: 121.61 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	603.12
LogP ≤ 5	4.97
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of N-[2-chloro-3-[3-[[5-(hydroxymethyl)-4-(methoxymethyl)pyridine-2-carbonyl]amino]-2-methylphenyl]phenyl]-5-ethyl-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide (CID 175976329) is N-[2-chloro-3-[3-[[5-(hydroxymethyl)-4-(methoxymethyl)pyridine-2-carbonyl]amino]-2-methylphenyl]phenyl]-5-ethyl-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-(hydroxymethyl)-4-(methoxymethyl)pyridine-2-carbonyl]amino]-2-methylphenyl]phenyl]-5-ethyl-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide?

The canonical SMILES for N-[2-chloro-3-[3-[[5-(hydroxymethyl)-4-(methoxymethyl)pyridine-2-carbonyl]amino]-2-methylphenyl]phenyl]-5-ethyl-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide is CCN1CCc2c(nc(C(=O)Nc3cccc(-c4cccc(NC(=O)c5cc(COC)c(CO)cn5)c4C)c3Cl)n2C)C1.

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

The InChIKey is IDXDKGKHXZDXTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H35ClN6O4/c1-5-39-13-12-28-27(16-39)35-30(38(28)3)32(42)37-25-11-7-9-23(29(25)33)22-8-6-10-24(19(22)2)36-31(41)26-14-20(18-43-4)21(17-40)15-34-26/h6-11,14-15,40H,5,12-13,16-18H2,1-4H3,(H,36,41)(H,37,42).

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

N-[2-chloro-3-[3-[[5-(hydroxymethyl)-4-(methoxymethyl)pyridine-2-carbonyl]amino]-2-methylphenyl]phenyl]-5-ethyl-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide has a molecular weight of 603.12 g/mol, XLogP of 4.97, 9 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-chloro-3-[3-[[5-(hydroxymethyl)-4-(methoxymethyl)pyridine-2-carbonyl]amino]-2-methylphenyl]phenyl]-5-ethyl-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide is sourced from PubChem (CID 175976329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).