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

C33H36Cl2N6O3 — CID 165147649

About N-[2-chloro-3-[2-chloro-3-[4-methoxy-5-[(oxan-4-ylamino)methyl]-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-[4-methoxy-5-[(oxan-4-ylamino)methyl]-2-pyridinyl]phenyl]phenyl]-1,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide (PubChem CID 165147649) has the molecular formula C33H36Cl2N6O3 and a molecular weight of 635.60 g/mol. Its IUPAC name is N-[2-chloro-3-[2-chloro-3-[4-methoxy-5-[(oxan-4-ylamino)methyl]-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-[4-methoxy-5-[(oxan-4-ylamino)methyl]-2-pyridinyl]phenyl]phenyl]-1,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide
• PubChem CID: 165147649
• Molecular Formula: C33H36Cl2N6O3
• Molecular Weight: 635.60 g/mol
• Exact Mass: 634.22
• IUPAC Name: N-[2-chloro-3-[2-chloro-3-[4-methoxy-5-[(oxan-4-ylamino)methyl]-2-pyridinyl]phenyl]phenyl]-1,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide
• SMILES: COc1cc(-c2cccc(-c3cccc(NC(=O)c4nc5c(n4C)CCN(C)C5)c3Cl)c2Cl)ncc1CNC1CCOCC1
• InChI: InChI=1S/C33H36Cl2N6O3/c1-40-13-10-28-27(19-40)38-32(41(28)2)33(42)39-25-9-5-7-23(31(25)35)22-6-4-8-24(30(22)34)26-16-29(43-3)20(18-37-26)17-36-21-11-14-44-15-12-21/h4-9,16,18,21,36H,10-15,17,19H2,1-3H3,(H,39,42)
• InChIKey: PXSUXMYLPJMKJF-UHFFFAOYSA-N
• XLogP: 5.97
• TPSA: 93.54 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	635.60
LogP ≤ 5	5.97
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-[4-methoxy-5-[(oxan-4-ylamino)methyl]-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-[4-methoxy-5-[(oxan-4-ylamino)methyl]-2-pyridinyl]phenyl]phenyl]-1,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide (CID 165147649) is N-[2-chloro-3-[2-chloro-3-[4-methoxy-5-[(oxan-4-ylamino)methyl]-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-[4-methoxy-5-[(oxan-4-ylamino)methyl]-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-[4-methoxy-5-[(oxan-4-ylamino)methyl]-2-pyridinyl]phenyl]phenyl]-1,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide is COc1cc(-c2cccc(-c3cccc(NC(=O)c4nc5c(n4C)CCN(C)C5)c3Cl)c2Cl)ncc1CNC1CCOCC1.

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

The InChIKey is PXSUXMYLPJMKJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H36Cl2N6O3/c1-40-13-10-28-27(19-40)38-32(41(28)2)33(42)39-25-9-5-7-23(31(25)35)22-6-4-8-24(30(22)34)26-16-29(43-3)20(18-37-26)17-36-21-11-14-44-15-12-21/h4-9,16,18,21,36H,10-15,17,19H2,1-3H3,(H,39,42).

What are the key properties of N-[2-chloro-3-[2-chloro-3-[4-methoxy-5-[(oxan-4-ylamino)methyl]-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-[4-methoxy-5-[(oxan-4-ylamino)methyl]-2-pyridinyl]phenyl]phenyl]-1,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide has a molecular weight of 635.60 g/mol, XLogP of 5.97, 8 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-[4-methoxy-5-[(oxan-4-ylamino)methyl]-2-pyridinyl]phenyl]phenyl]-1,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide is sourced from PubChem (CID 165147649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).