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

C40H46Cl2N8O4 — CID 170735342

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

N-[2-chloro-3-[3-chloro-2-[3-methoxy-4-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]phenyl]-4-pyridinyl]phenyl]-1-methyl-5-(3-piperidin-1-ylpropanoyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide (PubChem CID 170735342) has the molecular formula C40H46Cl2N8O4 and a molecular weight of 773.77 g/mol. Its IUPAC name is N-[2-chloro-3-[3-chloro-2-[3-methoxy-4-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]phenyl]-4-pyridinyl]phenyl]-1-methyl-5-(3-piperidin-1-ylpropanoyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: N-[2-chloro-3-[3-chloro-2-[3-methoxy-4-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]phenyl]-4-pyridinyl]phenyl]-1-methyl-5-(3-piperidin-1-ylpropanoyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide
• PubChem CID: 170735342
• Molecular Formula: C40H46Cl2N8O4
• Molecular Weight: 773.77 g/mol
• Exact Mass: 772.30
• IUPAC Name: N-[2-chloro-3-[3-chloro-2-[3-methoxy-4-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]phenyl]-4-pyridinyl]phenyl]-1-methyl-5-(3-piperidin-1-ylpropanoyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide
• SMILES: COc1cc(-c2nccc(-c3cccc(NC(=O)c4nc5c(n4C)CCN(C(=O)CCN4CCCCC4)C5)c3Cl)c2Cl)ccc1CNC[C@@H]1CCC(=O)N1
• InChI: InChI=1S/C40H46Cl2N8O4/c1-48-32-14-20-50(35(52)15-19-49-17-4-3-5-18-49)24-31(32)46-39(48)40(53)47-30-8-6-7-28(36(30)41)29-13-16-44-38(37(29)42)25-9-10-26(33(21-25)54-2)22-43-23-27-11-12-34(51)45-27/h6-10,13,16,21,27,43H,3-5,11-12,14-15,17-20,22-24H2,1-2H3,(H,45,51)(H,47,53)/t27-/m0/s1
• InChIKey: XZVPZVNKJZFQMU-MHZLTWQESA-N
• XLogP: 5.85
• TPSA: 133.72 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 12
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	773.77
LogP ≤ 5	5.85
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

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

The IUPAC name of N-[2-chloro-3-[3-chloro-2-[3-methoxy-4-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]phenyl]-4-pyridinyl]phenyl]-1-methyl-5-(3-piperidin-1-ylpropanoyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide (CID 170735342) is N-[2-chloro-3-[3-chloro-2-[3-methoxy-4-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]phenyl]-4-pyridinyl]phenyl]-1-methyl-5-(3-piperidin-1-ylpropanoyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide.

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

The canonical SMILES for N-[2-chloro-3-[3-chloro-2-[3-methoxy-4-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]phenyl]-4-pyridinyl]phenyl]-1-methyl-5-(3-piperidin-1-ylpropanoyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide is COc1cc(-c2nccc(-c3cccc(NC(=O)c4nc5c(n4C)CCN(C(=O)CCN4CCCCC4)C5)c3Cl)c2Cl)ccc1CNC[C@@H]1CCC(=O)N1.

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

The InChIKey is XZVPZVNKJZFQMU-MHZLTWQESA-N. The full InChI is InChI=1S/C40H46Cl2N8O4/c1-48-32-14-20-50(35(52)15-19-49-17-4-3-5-18-49)24-31(32)46-39(48)40(53)47-30-8-6-7-28(36(30)41)29-13-16-44-38(37(29)42)25-9-10-26(33(21-25)54-2)22-43-23-27-11-12-34(51)45-27/h6-10,13,16,21,27,43H,3-5,11-12,14-15,17-20,22-24H2,1-2H3,(H,45,51)(H,47,53)/t27-/m0/s1.

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

N-[2-chloro-3-[3-chloro-2-[3-methoxy-4-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]phenyl]-4-pyridinyl]phenyl]-1-methyl-5-(3-piperidin-1-ylpropanoyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide has a molecular weight of 773.77 g/mol, XLogP of 5.85, 12 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-chloro-3-[3-chloro-2-[3-methoxy-4-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]phenyl]-4-pyridinyl]phenyl]-1-methyl-5-(3-piperidin-1-ylpropanoyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide is sourced from PubChem (CID 170735342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).