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-[(3R)-piperidine-3-carbonyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide

C37H41Cl2N9O4 — CID 170735381

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-[(3R)-piperidine-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-[(3R)-piperidine-3-carbonyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide (PubChem CID 170735381) has the molecular formula C37H41Cl2N9O4 and a molecular weight of 746.70 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-[(3R)-piperidine-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-[(3R)-piperidine-3-carbonyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide
• PubChem CID: 170735381
• Molecular Formula: C37H41Cl2N9O4
• Molecular Weight: 746.70 g/mol
• Exact Mass: 745.27
• 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-[(3R)-piperidine-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]4CCCNC4)C5)c3Cl)c2Cl)ccc1CNC[C@H]1CCC(=O)N1
• InChI: InChI=1S/C37H41Cl2N9O4/c1-47-29-13-16-48(37(51)22-5-4-14-40-18-22)20-28(29)44-34(47)35(50)45-27-7-3-6-25(31(27)38)33-32(39)24(12-15-42-33)26-10-8-21(36(46-26)52-2)17-41-19-23-9-11-30(49)43-23/h3,6-8,10,12,15,22-23,40-41H,4-5,9,11,13-14,16-20H2,1-2H3,(H,43,49)(H,45,50)/t22-,23-/m1/s1
• InChIKey: QCEZPEKTDGGWFM-DHIUTWEWSA-N
• XLogP: 4.36
• TPSA: 155.40 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 10
• Rotatable Bonds: 10
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	746.70
LogP ≤ 5	4.36
H-Bond Donors ≤ 5	4
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-[(3R)-piperidine-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-[(3R)-piperidine-3-carbonyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide (CID 170735381) 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-[(3R)-piperidine-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-[(3R)-piperidine-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-[(3R)-piperidine-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]4CCCNC4)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-[(3R)-piperidine-3-carbonyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide?

The InChIKey is QCEZPEKTDGGWFM-DHIUTWEWSA-N. The full InChI is InChI=1S/C37H41Cl2N9O4/c1-47-29-13-16-48(37(51)22-5-4-14-40-18-22)20-28(29)44-34(47)35(50)45-27-7-3-6-25(31(27)38)33-32(39)24(12-15-42-33)26-10-8-21(36(46-26)52-2)17-41-19-23-9-11-30(49)43-23/h3,6-8,10,12,15,22-23,40-41H,4-5,9,11,13-14,16-20H2,1-2H3,(H,43,49)(H,45,50)/t22-,23-/m1/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-[(3R)-piperidine-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-[(3R)-piperidine-3-carbonyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide has a molecular weight of 746.70 g/mol, XLogP of 4.36, 10 rotatable bonds, 4 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-[(3R)-piperidine-3-carbonyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide is sourced from PubChem (CID 170735381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).