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

C35H39Cl2N9O4 — CID 170735343

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

N-[2-chloro-3-[3-chloro-4-[6-methoxy-5-[[(5-oxopyrrolidin-2-yl)methylamino]methyl]-2-pyridinyl]-2-pyridinyl]phenyl]-1-methyl-5-[3-(methylamino)propanoyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide (PubChem CID 170735343) has the molecular formula C35H39Cl2N9O4 and a molecular weight of 720.66 g/mol. Its IUPAC name is N-[2-chloro-3-[3-chloro-4-[6-methoxy-5-[[(5-oxopyrrolidin-2-yl)methylamino]methyl]-2-pyridinyl]-2-pyridinyl]phenyl]-1-methyl-5-[3-(methylamino)propanoyl]-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-[[(5-oxopyrrolidin-2-yl)methylamino]methyl]-2-pyridinyl]-2-pyridinyl]phenyl]-1-methyl-5-[3-(methylamino)propanoyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide
• PubChem CID: 170735343
• Molecular Formula: C35H39Cl2N9O4
• Molecular Weight: 720.66 g/mol
• Exact Mass: 719.25
• IUPAC Name: N-[2-chloro-3-[3-chloro-4-[6-methoxy-5-[[(5-oxopyrrolidin-2-yl)methylamino]methyl]-2-pyridinyl]-2-pyridinyl]phenyl]-1-methyl-5-[3-(methylamino)propanoyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide
• SMILES: CNCCC(=O)N1CCc2c(nc(C(=O)Nc3cccc(-c4nccc(-c5ccc(CNCC6CCC(=O)N6)c(OC)n5)c4Cl)c3Cl)n2C)C1
• InChI: InChI=1S/C35H39Cl2N9O4/c1-38-14-12-29(48)46-16-13-27-26(19-46)42-33(45(27)2)34(49)43-25-6-4-5-23(30(25)36)32-31(37)22(11-15-40-32)24-9-7-20(35(44-24)50-3)17-39-18-21-8-10-28(47)41-21/h4-7,9,11,15,21,38-39H,8,10,12-14,16-19H2,1-3H3,(H,41,47)(H,43,49)
• InChIKey: WMKSTSXAWJNXIV-UHFFFAOYSA-N
• XLogP: 3.97
• TPSA: 155.40 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 10
• Rotatable Bonds: 12
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	720.66
LogP ≤ 5	3.97
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-[[(5-oxopyrrolidin-2-yl)methylamino]methyl]-2-pyridinyl]-2-pyridinyl]phenyl]-1-methyl-5-[3-(methylamino)propanoyl]-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-[[(5-oxopyrrolidin-2-yl)methylamino]methyl]-2-pyridinyl]-2-pyridinyl]phenyl]-1-methyl-5-[3-(methylamino)propanoyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide (CID 170735343) is N-[2-chloro-3-[3-chloro-4-[6-methoxy-5-[[(5-oxopyrrolidin-2-yl)methylamino]methyl]-2-pyridinyl]-2-pyridinyl]phenyl]-1-methyl-5-[3-(methylamino)propanoyl]-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-[[(5-oxopyrrolidin-2-yl)methylamino]methyl]-2-pyridinyl]-2-pyridinyl]phenyl]-1-methyl-5-[3-(methylamino)propanoyl]-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-[[(5-oxopyrrolidin-2-yl)methylamino]methyl]-2-pyridinyl]-2-pyridinyl]phenyl]-1-methyl-5-[3-(methylamino)propanoyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide is CNCCC(=O)N1CCc2c(nc(C(=O)Nc3cccc(-c4nccc(-c5ccc(CNCC6CCC(=O)N6)c(OC)n5)c4Cl)c3Cl)n2C)C1.

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

The InChIKey is WMKSTSXAWJNXIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H39Cl2N9O4/c1-38-14-12-29(48)46-16-13-27-26(19-46)42-33(45(27)2)34(49)43-25-6-4-5-23(30(25)36)32-31(37)22(11-15-40-32)24-9-7-20(35(44-24)50-3)17-39-18-21-8-10-28(47)41-21/h4-7,9,11,15,21,38-39H,8,10,12-14,16-19H2,1-3H3,(H,41,47)(H,43,49).

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

N-[2-chloro-3-[3-chloro-4-[6-methoxy-5-[[(5-oxopyrrolidin-2-yl)methylamino]methyl]-2-pyridinyl]-2-pyridinyl]phenyl]-1-methyl-5-[3-(methylamino)propanoyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide has a molecular weight of 720.66 g/mol, XLogP of 3.97, 12 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-[[(5-oxopyrrolidin-2-yl)methylamino]methyl]-2-pyridinyl]-2-pyridinyl]phenyl]-1-methyl-5-[3-(methylamino)propanoyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide is sourced from PubChem (CID 170735343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).