3-N-[2-(4-methoxyphenyl)ethyl]-1-N-(2-methylpropyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide

C22H26N4O3 — CID 109067421

About 3-N-[2-(4-methoxyphenyl)ethyl]-1-N-(2-methylpropyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide

3-N-[2-(4-methoxyphenyl)ethyl]-1-N-(2-methylpropyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide (PubChem CID 109067421) has the molecular formula C22H26N4O3 and a molecular weight of 394.48 g/mol. Its IUPAC name is 3-N-[2-(4-methoxyphenyl)ethyl]-1-N-(2-methylpropyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide.

Molecular Properties

• Compound Name: 3-N-[2-(4-methoxyphenyl)ethyl]-1-N-(2-methylpropyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
• PubChem CID: 109067421
• Molecular Formula: C22H26N4O3
• Molecular Weight: 394.48 g/mol
• Exact Mass: 394.20
• IUPAC Name: 3-N-[2-(4-methoxyphenyl)ethyl]-1-N-(2-methylpropyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
• SMILES: COc1ccc(CCNC(=O)c2nc(C(=O)NCC(C)C)c3ccccn23)cc1
• InChI: InChI=1S/C22H26N4O3/c1-15(2)14-24-21(27)19-18-6-4-5-13-26(18)20(25-19)22(28)23-12-11-16-7-9-17(29-3)10-8-16/h4-10,13,15H,11-12,14H2,1-3H3,(H,23,28)(H,24,27)
• InChIKey: OMOZEJYOACJBLY-UHFFFAOYSA-N
• XLogP: 2.70
• TPSA: 84.73 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	394.48
LogP ≤ 5	2.70
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-N-[2-(4-methoxyphenyl)ethyl]-1-N-(2-methylpropyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide?

The IUPAC name of 3-N-[2-(4-methoxyphenyl)ethyl]-1-N-(2-methylpropyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide (CID 109067421) is 3-N-[2-(4-methoxyphenyl)ethyl]-1-N-(2-methylpropyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide.

What is the SMILES notation for 3-N-[2-(4-methoxyphenyl)ethyl]-1-N-(2-methylpropyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide?

The canonical SMILES for 3-N-[2-(4-methoxyphenyl)ethyl]-1-N-(2-methylpropyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide is COc1ccc(CCNC(=O)c2nc(C(=O)NCC(C)C)c3ccccn23)cc1.

What is the InChIKey of 3-N-[2-(4-methoxyphenyl)ethyl]-1-N-(2-methylpropyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide?

The InChIKey is OMOZEJYOACJBLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O3/c1-15(2)14-24-21(27)19-18-6-4-5-13-26(18)20(25-19)22(28)23-12-11-16-7-9-17(29-3)10-8-16/h4-10,13,15H,11-12,14H2,1-3H3,(H,23,28)(H,24,27).

What are the key properties of 3-N-[2-(4-methoxyphenyl)ethyl]-1-N-(2-methylpropyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide?

3-N-[2-(4-methoxyphenyl)ethyl]-1-N-(2-methylpropyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide has a molecular weight of 394.48 g/mol, XLogP of 2.70, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-N-[2-(4-methoxyphenyl)ethyl]-1-N-(2-methylpropyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide is sourced from PubChem (CID 109067421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).