N-[2-chloro-3-[3-[4-methoxy-5-[[[2-(oxomethylidene)piperidin-3-yl]amino]methyl]-2-pyridinyl]-2-methylphenyl]phenyl]-1,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide

C35H38ClN7O3 — CID 176520695

About N-[2-chloro-3-[3-[4-methoxy-5-[[[2-(oxomethylidene)piperidin-3-yl]amino]methyl]-2-pyridinyl]-2-methylphenyl]phenyl]-1,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide

N-[2-chloro-3-[3-[4-methoxy-5-[[[2-(oxomethylidene)piperidin-3-yl]amino]methyl]-2-pyridinyl]-2-methylphenyl]phenyl]-1,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide (PubChem CID 176520695) has the molecular formula C35H38ClN7O3 and a molecular weight of 640.19 g/mol. Its IUPAC name is N-[2-chloro-3-[3-[4-methoxy-5-[[[2-(oxomethylidene)piperidin-3-yl]amino]methyl]-2-pyridinyl]-2-methylphenyl]phenyl]-1,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: N-[2-chloro-3-[3-[4-methoxy-5-[[[2-(oxomethylidene)piperidin-3-yl]amino]methyl]-2-pyridinyl]-2-methylphenyl]phenyl]-1,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide
• PubChem CID: 176520695
• Molecular Formula: C35H38ClN7O3
• Molecular Weight: 640.19 g/mol
• Exact Mass: 639.27
• IUPAC Name: N-[2-chloro-3-[3-[4-methoxy-5-[[[2-(oxomethylidene)piperidin-3-yl]amino]methyl]-2-pyridinyl]-2-methylphenyl]phenyl]-1,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide
• SMILES: COc1cc(-c2cccc(-c3cccc(NC(=O)c4nc5c(n4C)CCN(C)C5)c3Cl)c2C)ncc1CNC1CCCNC1=C=O
• InChI: InChI=1S/C35H38ClN7O3/c1-21-23(25-10-6-11-27(33(25)36)41-35(45)34-40-29-19-42(2)15-13-31(29)43(34)3)8-5-9-24(21)28-16-32(46-4)22(18-39-28)17-38-26-12-7-14-37-30(26)20-44/h5-6,8-11,16,18,26,37-38H,7,12-15,17,19H2,1-4H3,(H,41,45)
• InChIKey: BWUSYKLPGUWOOU-UHFFFAOYSA-N
• XLogP: 4.92
• TPSA: 113.41 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	640.19
LogP ≤ 5	4.92
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'ketene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-3-[3-[4-methoxy-5-[[[2-(oxomethylidene)piperidin-3-yl]amino]methyl]-2-pyridinyl]-2-methylphenyl]phenyl]-1,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide?

The IUPAC name of N-[2-chloro-3-[3-[4-methoxy-5-[[[2-(oxomethylidene)piperidin-3-yl]amino]methyl]-2-pyridinyl]-2-methylphenyl]phenyl]-1,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide (CID 176520695) is N-[2-chloro-3-[3-[4-methoxy-5-[[[2-(oxomethylidene)piperidin-3-yl]amino]methyl]-2-pyridinyl]-2-methylphenyl]phenyl]-1,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide.

What is the SMILES notation for N-[2-chloro-3-[3-[4-methoxy-5-[[[2-(oxomethylidene)piperidin-3-yl]amino]methyl]-2-pyridinyl]-2-methylphenyl]phenyl]-1,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide?

The canonical SMILES for N-[2-chloro-3-[3-[4-methoxy-5-[[[2-(oxomethylidene)piperidin-3-yl]amino]methyl]-2-pyridinyl]-2-methylphenyl]phenyl]-1,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide is COc1cc(-c2cccc(-c3cccc(NC(=O)c4nc5c(n4C)CCN(C)C5)c3Cl)c2C)ncc1CNC1CCCNC1=C=O.

What is the InChIKey of N-[2-chloro-3-[3-[4-methoxy-5-[[[2-(oxomethylidene)piperidin-3-yl]amino]methyl]-2-pyridinyl]-2-methylphenyl]phenyl]-1,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide?

The InChIKey is BWUSYKLPGUWOOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H38ClN7O3/c1-21-23(25-10-6-11-27(33(25)36)41-35(45)34-40-29-19-42(2)15-13-31(29)43(34)3)8-5-9-24(21)28-16-32(46-4)22(18-39-28)17-38-26-12-7-14-37-30(26)20-44/h5-6,8-11,16,18,26,37-38H,7,12-15,17,19H2,1-4H3,(H,41,45).

What are the key properties of N-[2-chloro-3-[3-[4-methoxy-5-[[[2-(oxomethylidene)piperidin-3-yl]amino]methyl]-2-pyridinyl]-2-methylphenyl]phenyl]-1,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide?

N-[2-chloro-3-[3-[4-methoxy-5-[[[2-(oxomethylidene)piperidin-3-yl]amino]methyl]-2-pyridinyl]-2-methylphenyl]phenyl]-1,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide has a molecular weight of 640.19 g/mol, XLogP of 4.92, 8 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-chloro-3-[3-[4-methoxy-5-[[[2-(oxomethylidene)piperidin-3-yl]amino]methyl]-2-pyridinyl]-2-methylphenyl]phenyl]-1,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide is sourced from PubChem (CID 176520695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).