2-[2-butyl-4-oxo-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[4,5-c]pyridin-5-yl]-N-methyl-N-phenylacetamide

C33H32N8O2 — CID 10438031

About 2-[2-butyl-4-oxo-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[4,5-c]pyridin-5-yl]-N-methyl-N-phenylacetamide

2-[2-butyl-4-oxo-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[4,5-c]pyridin-5-yl]-N-methyl-N-phenylacetamide (PubChem CID 10438031) has the molecular formula C33H32N8O2 and a molecular weight of 572.67 g/mol. Its IUPAC name is 2-[2-butyl-4-oxo-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[4,5-c]pyridin-5-yl]-N-methyl-N-phenylacetamide.

Molecular Properties

• Compound Name: 2-[2-butyl-4-oxo-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[4,5-c]pyridin-5-yl]-N-methyl-N-phenylacetamide
• PubChem CID: 10438031
• Molecular Formula: C33H32N8O2
• Molecular Weight: 572.67 g/mol
• Exact Mass: 572.26
• IUPAC Name: 2-[2-butyl-4-oxo-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[4,5-c]pyridin-5-yl]-N-methyl-N-phenylacetamide
• SMILES: CCCCc1nc2ccn(CC(=O)N(C)c3ccccc3)c(=O)c2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1
• InChI: InChI=1S/C33H32N8O2/c1-3-4-14-29-34-28-19-20-40(22-30(42)39(2)25-10-6-5-7-11-25)33(43)31(28)41(29)21-23-15-17-24(18-16-23)26-12-8-9-13-27(26)32-35-37-38-36-32/h5-13,15-20H,3-4,14,21-22H2,1-2H3,(H,35,36,37,38)
• InChIKey: GKEUJIWSZBCQCW-UHFFFAOYSA-N
• XLogP: 5.10
• TPSA: 114.59 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	572.67
LogP ≤ 5	5.10
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-[2-butyl-4-oxo-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[4,5-c]pyridin-5-yl]-N-methyl-N-phenylacetamide?

The IUPAC name of 2-[2-butyl-4-oxo-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[4,5-c]pyridin-5-yl]-N-methyl-N-phenylacetamide (CID 10438031) is 2-[2-butyl-4-oxo-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[4,5-c]pyridin-5-yl]-N-methyl-N-phenylacetamide.

What is the SMILES notation for 2-[2-butyl-4-oxo-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[4,5-c]pyridin-5-yl]-N-methyl-N-phenylacetamide?

The canonical SMILES for 2-[2-butyl-4-oxo-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[4,5-c]pyridin-5-yl]-N-methyl-N-phenylacetamide is CCCCc1nc2ccn(CC(=O)N(C)c3ccccc3)c(=O)c2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1.

What is the InChIKey of 2-[2-butyl-4-oxo-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[4,5-c]pyridin-5-yl]-N-methyl-N-phenylacetamide?

The InChIKey is GKEUJIWSZBCQCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H32N8O2/c1-3-4-14-29-34-28-19-20-40(22-30(42)39(2)25-10-6-5-7-11-25)33(43)31(28)41(29)21-23-15-17-24(18-16-23)26-12-8-9-13-27(26)32-35-37-38-36-32/h5-13,15-20H,3-4,14,21-22H2,1-2H3,(H,35,36,37,38).

What are the key properties of 2-[2-butyl-4-oxo-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[4,5-c]pyridin-5-yl]-N-methyl-N-phenylacetamide?

2-[2-butyl-4-oxo-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[4,5-c]pyridin-5-yl]-N-methyl-N-phenylacetamide has a molecular weight of 572.67 g/mol, XLogP of 5.10, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-butyl-4-oxo-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[4,5-c]pyridin-5-yl]-N-methyl-N-phenylacetamide is sourced from PubChem (CID 10438031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).