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

C32H33Cl2N7O3 — CID 156575744

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

N-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[[(5-oxopyrrolidin-3-yl)amino]methyl]-2-pyridinyl]phenyl]phenyl]-1,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide (PubChem CID 156575744) has the molecular formula C32H33Cl2N7O3 and a molecular weight of 634.57 g/mol. Its IUPAC name is N-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[[(5-oxopyrrolidin-3-yl)amino]methyl]-2-pyridinyl]phenyl]phenyl]-1,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: N-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[[(5-oxopyrrolidin-3-yl)amino]methyl]-2-pyridinyl]phenyl]phenyl]-1,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide
• PubChem CID: 156575744
• Molecular Formula: C32H33Cl2N7O3
• Molecular Weight: 634.57 g/mol
• Exact Mass: 633.20
• IUPAC Name: N-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[[(5-oxopyrrolidin-3-yl)amino]methyl]-2-pyridinyl]phenyl]phenyl]-1,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide
• SMILES: COc1nc(-c2cccc(-c3cccc(NC(=O)c4nc5c(n4C)CCN(C)C5)c3Cl)c2Cl)ccc1CNC1CNC(=O)C1
• InChI: InChI=1S/C32H33Cl2N7O3/c1-40-13-12-26-25(17-40)37-30(41(26)2)31(43)38-24-9-5-7-21(29(24)34)20-6-4-8-22(28(20)33)23-11-10-18(32(39-23)44-3)15-35-19-14-27(42)36-16-19/h4-11,19,35H,12-17H2,1-3H3,(H,36,42)(H,38,43)
• InChIKey: ZZEVYWJIGCVWQJ-UHFFFAOYSA-N
• XLogP: 4.68
• TPSA: 113.41 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	634.57
LogP ≤ 5	4.68
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of N-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[[(5-oxopyrrolidin-3-yl)amino]methyl]-2-pyridinyl]phenyl]phenyl]-1,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide (CID 156575744) is N-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[[(5-oxopyrrolidin-3-yl)amino]methyl]-2-pyridinyl]phenyl]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-[2-chloro-3-[6-methoxy-5-[[(5-oxopyrrolidin-3-yl)amino]methyl]-2-pyridinyl]phenyl]phenyl]-1,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide?

The canonical SMILES for N-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[[(5-oxopyrrolidin-3-yl)amino]methyl]-2-pyridinyl]phenyl]phenyl]-1,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide is COc1nc(-c2cccc(-c3cccc(NC(=O)c4nc5c(n4C)CCN(C)C5)c3Cl)c2Cl)ccc1CNC1CNC(=O)C1.

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

The InChIKey is ZZEVYWJIGCVWQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H33Cl2N7O3/c1-40-13-12-26-25(17-40)37-30(41(26)2)31(43)38-24-9-5-7-21(29(24)34)20-6-4-8-22(28(20)33)23-11-10-18(32(39-23)44-3)15-35-19-14-27(42)36-16-19/h4-11,19,35H,12-17H2,1-3H3,(H,36,42)(H,38,43).

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

N-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[[(5-oxopyrrolidin-3-yl)amino]methyl]-2-pyridinyl]phenyl]phenyl]-1,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide has a molecular weight of 634.57 g/mol, XLogP of 4.68, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[[(5-oxopyrrolidin-3-yl)amino]methyl]-2-pyridinyl]phenyl]phenyl]-1,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide is sourced from PubChem (CID 156575744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).