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

C32H35ClFN7O3 — CID 156575161

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

N-[2-chloro-3-[3-[[5-[(2-fluoroethylamino)methyl]-4-methoxypyridine-2-carbonyl]amino]-2-methylphenyl]phenyl]-1,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide (PubChem CID 156575161) has the molecular formula C32H35ClFN7O3 and a molecular weight of 620.13 g/mol. Its IUPAC name is N-[2-chloro-3-[3-[[5-[(2-fluoroethylamino)methyl]-4-methoxypyridine-2-carbonyl]amino]-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-[[5-[(2-fluoroethylamino)methyl]-4-methoxypyridine-2-carbonyl]amino]-2-methylphenyl]phenyl]-1,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide
• PubChem CID: 156575161
• Molecular Formula: C32H35ClFN7O3
• Molecular Weight: 620.13 g/mol
• Exact Mass: 619.25
• IUPAC Name: N-[2-chloro-3-[3-[[5-[(2-fluoroethylamino)methyl]-4-methoxypyridine-2-carbonyl]amino]-2-methylphenyl]phenyl]-1,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide
• SMILES: COc1cc(C(=O)Nc2cccc(-c3cccc(NC(=O)c4nc5c(n4C)CCN(C)C5)c3Cl)c2C)ncc1CNCCF
• InChI: InChI=1S/C32H35ClFN7O3/c1-19-21(7-5-9-23(19)38-31(42)25-15-28(44-4)20(17-36-25)16-35-13-12-34)22-8-6-10-24(29(22)33)39-32(43)30-37-26-18-40(2)14-11-27(26)41(30)3/h5-10,15,17,35H,11-14,16,18H2,1-4H3,(H,38,42)(H,39,43)
• InChIKey: QPIVTPMVHHNMRF-UHFFFAOYSA-N
• XLogP: 5.00
• TPSA: 113.41 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	620.13
LogP ≤ 5	5.00
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-3-[3-[[5-[(2-fluoroethylamino)methyl]-4-methoxypyridine-2-carbonyl]amino]-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-[[5-[(2-fluoroethylamino)methyl]-4-methoxypyridine-2-carbonyl]amino]-2-methylphenyl]phenyl]-1,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide (CID 156575161) is N-[2-chloro-3-[3-[[5-[(2-fluoroethylamino)methyl]-4-methoxypyridine-2-carbonyl]amino]-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-[[5-[(2-fluoroethylamino)methyl]-4-methoxypyridine-2-carbonyl]amino]-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-[[5-[(2-fluoroethylamino)methyl]-4-methoxypyridine-2-carbonyl]amino]-2-methylphenyl]phenyl]-1,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide is COc1cc(C(=O)Nc2cccc(-c3cccc(NC(=O)c4nc5c(n4C)CCN(C)C5)c3Cl)c2C)ncc1CNCCF.

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

The InChIKey is QPIVTPMVHHNMRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H35ClFN7O3/c1-19-21(7-5-9-23(19)38-31(42)25-15-28(44-4)20(17-36-25)16-35-13-12-34)22-8-6-10-24(29(22)33)39-32(43)30-37-26-18-40(2)14-11-27(26)41(30)3/h5-10,15,17,35H,11-14,16,18H2,1-4H3,(H,38,42)(H,39,43).

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

N-[2-chloro-3-[3-[[5-[(2-fluoroethylamino)methyl]-4-methoxypyridine-2-carbonyl]amino]-2-methylphenyl]phenyl]-1,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide has a molecular weight of 620.13 g/mol, XLogP of 5.00, 10 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-[(2-fluoroethylamino)methyl]-4-methoxypyridine-2-carbonyl]amino]-2-methylphenyl]phenyl]-1,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide is sourced from PubChem (CID 156575161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).