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

C39H43Cl2N9O5 — CID 170734801

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

5-(1-acetylpiperidine-4-carbonyl)-N-[2-chloro-3-[3-chloro-4-[6-methoxy-5-[[[(2R)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]-2-pyridinyl]phenyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide (PubChem CID 170734801) has the molecular formula C39H43Cl2N9O5 and a molecular weight of 788.74 g/mol. Its IUPAC name is 5-(1-acetylpiperidine-4-carbonyl)-N-[2-chloro-3-[3-chloro-4-[6-methoxy-5-[[[(2R)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]-2-pyridinyl]phenyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 5-(1-acetylpiperidine-4-carbonyl)-N-[2-chloro-3-[3-chloro-4-[6-methoxy-5-[[[(2R)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]-2-pyridinyl]phenyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide
• PubChem CID: 170734801
• Molecular Formula: C39H43Cl2N9O5
• Molecular Weight: 788.74 g/mol
• Exact Mass: 787.28
• IUPAC Name: 5-(1-acetylpiperidine-4-carbonyl)-N-[2-chloro-3-[3-chloro-4-[6-methoxy-5-[[[(2R)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]-2-pyridinyl]phenyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide
• SMILES: COc1nc(-c2ccnc(-c3cccc(NC(=O)c4nc5c(n4C)CCN(C(=O)C4CCN(C(C)=O)CC4)C5)c3Cl)c2Cl)ccc1CNC[C@H]1CCC(=O)N1
• InChI: InChI=1S/C39H43Cl2N9O5/c1-22(51)49-16-12-23(13-17-49)39(54)50-18-14-31-30(21-50)45-36(48(31)2)37(53)46-29-6-4-5-27(33(29)40)35-34(41)26(11-15-43-35)28-9-7-24(38(47-28)55-3)19-42-20-25-8-10-32(52)44-25/h4-7,9,11,15,23,25,42H,8,10,12-14,16-21H2,1-3H3,(H,44,52)(H,46,53)/t25-/m1/s1
• InChIKey: YVYHKXIZZYZZEL-RUZDIDTESA-N
• XLogP: 4.62
• TPSA: 163.68 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 10
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	788.74
LogP ≤ 5	4.62
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

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

The IUPAC name of 5-(1-acetylpiperidine-4-carbonyl)-N-[2-chloro-3-[3-chloro-4-[6-methoxy-5-[[[(2R)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]-2-pyridinyl]phenyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide (CID 170734801) is 5-(1-acetylpiperidine-4-carbonyl)-N-[2-chloro-3-[3-chloro-4-[6-methoxy-5-[[[(2R)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]-2-pyridinyl]phenyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide.

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

The canonical SMILES for 5-(1-acetylpiperidine-4-carbonyl)-N-[2-chloro-3-[3-chloro-4-[6-methoxy-5-[[[(2R)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]-2-pyridinyl]phenyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide is COc1nc(-c2ccnc(-c3cccc(NC(=O)c4nc5c(n4C)CCN(C(=O)C4CCN(C(C)=O)CC4)C5)c3Cl)c2Cl)ccc1CNC[C@H]1CCC(=O)N1.

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

The InChIKey is YVYHKXIZZYZZEL-RUZDIDTESA-N. The full InChI is InChI=1S/C39H43Cl2N9O5/c1-22(51)49-16-12-23(13-17-49)39(54)50-18-14-31-30(21-50)45-36(48(31)2)37(53)46-29-6-4-5-27(33(29)40)35-34(41)26(11-15-43-35)28-9-7-24(38(47-28)55-3)19-42-20-25-8-10-32(52)44-25/h4-7,9,11,15,23,25,42H,8,10,12-14,16-21H2,1-3H3,(H,44,52)(H,46,53)/t25-/m1/s1.

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

5-(1-acetylpiperidine-4-carbonyl)-N-[2-chloro-3-[3-chloro-4-[6-methoxy-5-[[[(2R)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]-2-pyridinyl]phenyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide has a molecular weight of 788.74 g/mol, XLogP of 4.62, 10 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(1-acetylpiperidine-4-carbonyl)-N-[2-chloro-3-[3-chloro-4-[6-methoxy-5-[[[(2R)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]-2-pyridinyl]phenyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide is sourced from PubChem (CID 170734801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).