N-[2-chloro-3-[3-chloro-4-[6-methoxy-5-[[[(2R)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]-2-pyridinyl]phenyl]-1-methyl-5-[(3S)-1-methylpiperidine-3-carbonyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide

C38H43Cl2N9O4 — CID 170734745

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

N-[2-chloro-3-[3-chloro-4-[6-methoxy-5-[[[(2R)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]-2-pyridinyl]phenyl]-1-methyl-5-[(3S)-1-methylpiperidine-3-carbonyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide (PubChem CID 170734745) has the molecular formula C38H43Cl2N9O4 and a molecular weight of 760.73 g/mol. Its IUPAC name is N-[2-chloro-3-[3-chloro-4-[6-methoxy-5-[[[(2R)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]-2-pyridinyl]phenyl]-1-methyl-5-[(3S)-1-methylpiperidine-3-carbonyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: N-[2-chloro-3-[3-chloro-4-[6-methoxy-5-[[[(2R)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]-2-pyridinyl]phenyl]-1-methyl-5-[(3S)-1-methylpiperidine-3-carbonyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide
• PubChem CID: 170734745
• Molecular Formula: C38H43Cl2N9O4
• Molecular Weight: 760.73 g/mol
• Exact Mass: 759.28
• IUPAC Name: N-[2-chloro-3-[3-chloro-4-[6-methoxy-5-[[[(2R)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]-2-pyridinyl]phenyl]-1-methyl-5-[(3S)-1-methylpiperidine-3-carbonyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide
• SMILES: COc1nc(-c2ccnc(-c3cccc(NC(=O)c4nc5c(n4C)CCN(C(=O)[C@H]4CCCN(C)C4)C5)c3Cl)c2Cl)ccc1CNC[C@H]1CCC(=O)N1
• InChI: InChI=1S/C38H43Cl2N9O4/c1-47-16-5-6-23(20-47)38(52)49-17-14-30-29(21-49)44-35(48(30)2)36(51)45-28-8-4-7-26(32(28)39)34-33(40)25(13-15-42-34)27-11-9-22(37(46-27)53-3)18-41-19-24-10-12-31(50)43-24/h4,7-9,11,13,15,23-24,41H,5-6,10,12,14,16-21H2,1-3H3,(H,43,50)(H,45,51)/t23-,24+/m0/s1
• InChIKey: PSZKBXIPEATNIB-BJKOFHAPSA-N
• XLogP: 4.71
• TPSA: 146.61 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 10
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	760.73
LogP ≤ 5	4.71
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

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

The IUPAC name of N-[2-chloro-3-[3-chloro-4-[6-methoxy-5-[[[(2R)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]-2-pyridinyl]phenyl]-1-methyl-5-[(3S)-1-methylpiperidine-3-carbonyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide (CID 170734745) is N-[2-chloro-3-[3-chloro-4-[6-methoxy-5-[[[(2R)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]-2-pyridinyl]phenyl]-1-methyl-5-[(3S)-1-methylpiperidine-3-carbonyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide.

What is the SMILES notation for N-[2-chloro-3-[3-chloro-4-[6-methoxy-5-[[[(2R)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]-2-pyridinyl]phenyl]-1-methyl-5-[(3S)-1-methylpiperidine-3-carbonyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide?

The canonical SMILES for N-[2-chloro-3-[3-chloro-4-[6-methoxy-5-[[[(2R)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]-2-pyridinyl]phenyl]-1-methyl-5-[(3S)-1-methylpiperidine-3-carbonyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide is COc1nc(-c2ccnc(-c3cccc(NC(=O)c4nc5c(n4C)CCN(C(=O)[C@H]4CCCN(C)C4)C5)c3Cl)c2Cl)ccc1CNC[C@H]1CCC(=O)N1.

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

The InChIKey is PSZKBXIPEATNIB-BJKOFHAPSA-N. The full InChI is InChI=1S/C38H43Cl2N9O4/c1-47-16-5-6-23(20-47)38(52)49-17-14-30-29(21-49)44-35(48(30)2)36(51)45-28-8-4-7-26(32(28)39)34-33(40)25(13-15-42-34)27-11-9-22(37(46-27)53-3)18-41-19-24-10-12-31(50)43-24/h4,7-9,11,13,15,23-24,41H,5-6,10,12,14,16-21H2,1-3H3,(H,43,50)(H,45,51)/t23-,24+/m0/s1.

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

N-[2-chloro-3-[3-chloro-4-[6-methoxy-5-[[[(2R)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]-2-pyridinyl]phenyl]-1-methyl-5-[(3S)-1-methylpiperidine-3-carbonyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide has a molecular weight of 760.73 g/mol, XLogP of 4.71, 10 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-chloro-3-[3-chloro-4-[6-methoxy-5-[[[(2R)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]-2-pyridinyl]phenyl]-1-methyl-5-[(3S)-1-methylpiperidine-3-carbonyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide is sourced from PubChem (CID 170734745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).