5-[[4-[bis[(4-methoxyphenyl)methyl]amino]-1-methylimidazo[4,5-c]pyridin-6-yl]-methylamino]-6-chloro-4-ethylpyridine-2-carbonitrile

C32H32ClN7O2 — CID 126485285

About 5-[[4-[bis[(4-methoxyphenyl)methyl]amino]-1-methylimidazo[4,5-c]pyridin-6-yl]-methylamino]-6-chloro-4-ethylpyridine-2-carbonitrile

5-[[4-[bis[(4-methoxyphenyl)methyl]amino]-1-methylimidazo[4,5-c]pyridin-6-yl]-methylamino]-6-chloro-4-ethylpyridine-2-carbonitrile (PubChem CID 126485285) has the molecular formula C32H32ClN7O2 and a molecular weight of 582.11 g/mol. Its IUPAC name is 5-[[4-[bis[(4-methoxyphenyl)methyl]amino]-1-methylimidazo[4,5-c]pyridin-6-yl]-methylamino]-6-chloro-4-ethylpyridine-2-carbonitrile.

Molecular Properties

• Compound Name: 5-[[4-[bis[(4-methoxyphenyl)methyl]amino]-1-methylimidazo[4,5-c]pyridin-6-yl]-methylamino]-6-chloro-4-ethylpyridine-2-carbonitrile
• PubChem CID: 126485285
• Molecular Formula: C32H32ClN7O2
• Molecular Weight: 582.11 g/mol
• Exact Mass: 581.23
• IUPAC Name: 5-[[4-[bis[(4-methoxyphenyl)methyl]amino]-1-methylimidazo[4,5-c]pyridin-6-yl]-methylamino]-6-chloro-4-ethylpyridine-2-carbonitrile
• SMILES: CCc1cc(C#N)nc(Cl)c1N(C)c1cc2c(ncn2C)c(N(Cc2ccc(OC)cc2)Cc2ccc(OC)cc2)n1
• InChI: InChI=1S/C32H32ClN7O2/c1-6-23-15-24(17-34)36-31(33)30(23)39(3)28-16-27-29(35-20-38(27)2)32(37-28)40(18-21-7-11-25(41-4)12-8-21)19-22-9-13-26(42-5)14-10-22/h7-16,20H,6,18-19H2,1-5H3
• InChIKey: RHEGGRYHHNFHJO-UHFFFAOYSA-N
• XLogP: 6.44
• TPSA: 92.33 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 10
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	582.11
LogP ≤ 5	6.44
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-[[4-[bis[(4-methoxyphenyl)methyl]amino]-1-methylimidazo[4,5-c]pyridin-6-yl]-methylamino]-6-chloro-4-ethylpyridine-2-carbonitrile?

The IUPAC name of 5-[[4-[bis[(4-methoxyphenyl)methyl]amino]-1-methylimidazo[4,5-c]pyridin-6-yl]-methylamino]-6-chloro-4-ethylpyridine-2-carbonitrile (CID 126485285) is 5-[[4-[bis[(4-methoxyphenyl)methyl]amino]-1-methylimidazo[4,5-c]pyridin-6-yl]-methylamino]-6-chloro-4-ethylpyridine-2-carbonitrile.

What is the SMILES notation for 5-[[4-[bis[(4-methoxyphenyl)methyl]amino]-1-methylimidazo[4,5-c]pyridin-6-yl]-methylamino]-6-chloro-4-ethylpyridine-2-carbonitrile?

The canonical SMILES for 5-[[4-[bis[(4-methoxyphenyl)methyl]amino]-1-methylimidazo[4,5-c]pyridin-6-yl]-methylamino]-6-chloro-4-ethylpyridine-2-carbonitrile is CCc1cc(C#N)nc(Cl)c1N(C)c1cc2c(ncn2C)c(N(Cc2ccc(OC)cc2)Cc2ccc(OC)cc2)n1.

What is the InChIKey of 5-[[4-[bis[(4-methoxyphenyl)methyl]amino]-1-methylimidazo[4,5-c]pyridin-6-yl]-methylamino]-6-chloro-4-ethylpyridine-2-carbonitrile?

The InChIKey is RHEGGRYHHNFHJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H32ClN7O2/c1-6-23-15-24(17-34)36-31(33)30(23)39(3)28-16-27-29(35-20-38(27)2)32(37-28)40(18-21-7-11-25(41-4)12-8-21)19-22-9-13-26(42-5)14-10-22/h7-16,20H,6,18-19H2,1-5H3.

What are the key properties of 5-[[4-[bis[(4-methoxyphenyl)methyl]amino]-1-methylimidazo[4,5-c]pyridin-6-yl]-methylamino]-6-chloro-4-ethylpyridine-2-carbonitrile?

5-[[4-[bis[(4-methoxyphenyl)methyl]amino]-1-methylimidazo[4,5-c]pyridin-6-yl]-methylamino]-6-chloro-4-ethylpyridine-2-carbonitrile has a molecular weight of 582.11 g/mol, XLogP of 6.44, 10 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[[4-[bis[(4-methoxyphenyl)methyl]amino]-1-methylimidazo[4,5-c]pyridin-6-yl]-methylamino]-6-chloro-4-ethylpyridine-2-carbonitrile is sourced from PubChem (CID 126485285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).