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

C35H37Cl2N7O5 — CID 170734852

About N-[2-chloro-3-[3-chloro-2-[3-methoxy-4-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]phenyl]-4-pyridinyl]phenyl]-5-(2-methoxyacetyl)-1-methyl-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]-5-(2-methoxyacetyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide (PubChem CID 170734852) has the molecular formula C35H37Cl2N7O5 and a molecular weight of 706.63 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]-5-(2-methoxyacetyl)-1-methyl-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]-5-(2-methoxyacetyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide
• PubChem CID: 170734852
• Molecular Formula: C35H37Cl2N7O5
• Molecular Weight: 706.63 g/mol
• Exact Mass: 705.22
• IUPAC Name: N-[2-chloro-3-[3-chloro-2-[3-methoxy-4-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]phenyl]-4-pyridinyl]phenyl]-5-(2-methoxyacetyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide
• SMILES: COCC(=O)N1CCc2c(nc(C(=O)Nc3cccc(-c4ccnc(-c5ccc(CNC[C@@H]6CCC(=O)N6)c(OC)c5)c4Cl)c3Cl)n2C)C1
• InChI: InChI=1S/C35H37Cl2N7O5/c1-43-27-12-14-44(30(46)19-48-2)18-26(27)41-34(43)35(47)42-25-6-4-5-23(31(25)36)24-11-13-39-33(32(24)37)20-7-8-21(28(15-20)49-3)16-38-17-22-9-10-29(45)40-22/h4-8,11,13,15,22,38H,9-10,12,14,16-19H2,1-3H3,(H,40,45)(H,42,47)/t22-/m0/s1
• InChIKey: KCGLQXSWRRSQRD-QFIPXVFZSA-N
• XLogP: 4.62
• TPSA: 139.71 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 11
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	706.63
LogP ≤ 5	4.62
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]-5-(2-methoxyacetyl)-1-methyl-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]-5-(2-methoxyacetyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide (CID 170734852) is N-[2-chloro-3-[3-chloro-2-[3-methoxy-4-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]phenyl]-4-pyridinyl]phenyl]-5-(2-methoxyacetyl)-1-methyl-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]-5-(2-methoxyacetyl)-1-methyl-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]-5-(2-methoxyacetyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide is COCC(=O)N1CCc2c(nc(C(=O)Nc3cccc(-c4ccnc(-c5ccc(CNC[C@@H]6CCC(=O)N6)c(OC)c5)c4Cl)c3Cl)n2C)C1.

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]-5-(2-methoxyacetyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide?

The InChIKey is KCGLQXSWRRSQRD-QFIPXVFZSA-N. The full InChI is InChI=1S/C35H37Cl2N7O5/c1-43-27-12-14-44(30(46)19-48-2)18-26(27)41-34(43)35(47)42-25-6-4-5-23(31(25)36)24-11-13-39-33(32(24)37)20-7-8-21(28(15-20)49-3)16-38-17-22-9-10-29(45)40-22/h4-8,11,13,15,22,38H,9-10,12,14,16-19H2,1-3H3,(H,40,45)(H,42,47)/t22-/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]-5-(2-methoxyacetyl)-1-methyl-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]-5-(2-methoxyacetyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide has a molecular weight of 706.63 g/mol, XLogP of 4.62, 11 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]-5-(2-methoxyacetyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide is sourced from PubChem (CID 170734852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).