N-[2-chloro-3-[2-chloro-3-[6-methoxy-5-(piperazin-1-ylmethyl)-2-pyridinyl]phenyl]phenyl]-1,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide

C32H35Cl2N7O2 — CID 156575389

About N-[2-chloro-3-[2-chloro-3-[6-methoxy-5-(piperazin-1-ylmethyl)-2-pyridinyl]phenyl]phenyl]-1,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide

N-[2-chloro-3-[2-chloro-3-[6-methoxy-5-(piperazin-1-ylmethyl)-2-pyridinyl]phenyl]phenyl]-1,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide (PubChem CID 156575389) has the molecular formula C32H35Cl2N7O2 and a molecular weight of 620.59 g/mol. Its IUPAC name is N-[2-chloro-3-[2-chloro-3-[6-methoxy-5-(piperazin-1-ylmethyl)-2-pyridinyl]phenyl]phenyl]-1,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: N-[2-chloro-3-[2-chloro-3-[6-methoxy-5-(piperazin-1-ylmethyl)-2-pyridinyl]phenyl]phenyl]-1,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide
• PubChem CID: 156575389
• Molecular Formula: C32H35Cl2N7O2
• Molecular Weight: 620.59 g/mol
• Exact Mass: 619.22
• IUPAC Name: N-[2-chloro-3-[2-chloro-3-[6-methoxy-5-(piperazin-1-ylmethyl)-2-pyridinyl]phenyl]phenyl]-1,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide
• SMILES: COc1nc(-c2cccc(-c3cccc(NC(=O)c4nc5c(n4C)CCN(C)C5)c3Cl)c2Cl)ccc1CN1CCNCC1
• InChI: InChI=1S/C32H35Cl2N7O2/c1-39-15-12-27-26(19-39)36-30(40(27)2)31(42)37-25-9-5-7-22(29(25)34)21-6-4-8-23(28(21)33)24-11-10-20(32(38-24)43-3)18-41-16-13-35-14-17-41/h4-11,35H,12-19H2,1-3H3,(H,37,42)
• InChIKey: DGDPTENOWYDUJR-UHFFFAOYSA-N
• XLogP: 5.11
• TPSA: 87.55 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	620.59
LogP ≤ 5	5.11
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-3-[2-chloro-3-[6-methoxy-5-(piperazin-1-ylmethyl)-2-pyridinyl]phenyl]phenyl]-1,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide?

The IUPAC name of N-[2-chloro-3-[2-chloro-3-[6-methoxy-5-(piperazin-1-ylmethyl)-2-pyridinyl]phenyl]phenyl]-1,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide (CID 156575389) is N-[2-chloro-3-[2-chloro-3-[6-methoxy-5-(piperazin-1-ylmethyl)-2-pyridinyl]phenyl]phenyl]-1,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide.

What is the SMILES notation for N-[2-chloro-3-[2-chloro-3-[6-methoxy-5-(piperazin-1-ylmethyl)-2-pyridinyl]phenyl]phenyl]-1,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide?

The canonical SMILES for N-[2-chloro-3-[2-chloro-3-[6-methoxy-5-(piperazin-1-ylmethyl)-2-pyridinyl]phenyl]phenyl]-1,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide is COc1nc(-c2cccc(-c3cccc(NC(=O)c4nc5c(n4C)CCN(C)C5)c3Cl)c2Cl)ccc1CN1CCNCC1.

What is the InChIKey of N-[2-chloro-3-[2-chloro-3-[6-methoxy-5-(piperazin-1-ylmethyl)-2-pyridinyl]phenyl]phenyl]-1,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide?

The InChIKey is DGDPTENOWYDUJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H35Cl2N7O2/c1-39-15-12-27-26(19-39)36-30(40(27)2)31(42)37-25-9-5-7-22(29(25)34)21-6-4-8-23(28(21)33)24-11-10-20(32(38-24)43-3)18-41-16-13-35-14-17-41/h4-11,35H,12-19H2,1-3H3,(H,37,42).

What are the key properties of N-[2-chloro-3-[2-chloro-3-[6-methoxy-5-(piperazin-1-ylmethyl)-2-pyridinyl]phenyl]phenyl]-1,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide?

N-[2-chloro-3-[2-chloro-3-[6-methoxy-5-(piperazin-1-ylmethyl)-2-pyridinyl]phenyl]phenyl]-1,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide has a molecular weight of 620.59 g/mol, XLogP of 5.11, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-chloro-3-[2-chloro-3-[6-methoxy-5-(piperazin-1-ylmethyl)-2-pyridinyl]phenyl]phenyl]-1,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide is sourced from PubChem (CID 156575389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).