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

C22H26N4O3 — CID 109067549

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

1-N-[2-(3-methoxyphenyl)ethyl]-3-N-(2-methylpropyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide (PubChem CID 109067549) has the molecular formula C22H26N4O3 and a molecular weight of 394.48 g/mol. Its IUPAC name is 1-N-[2-(3-methoxyphenyl)ethyl]-3-N-(2-methylpropyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide.

Molecular Properties

• Compound Name: 1-N-[2-(3-methoxyphenyl)ethyl]-3-N-(2-methylpropyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
• PubChem CID: 109067549
• Molecular Formula: C22H26N4O3
• Molecular Weight: 394.48 g/mol
• Exact Mass: 394.20
• IUPAC Name: 1-N-[2-(3-methoxyphenyl)ethyl]-3-N-(2-methylpropyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
• SMILES: COc1cccc(CCNC(=O)c2nc(C(=O)NCC(C)C)n3ccccc23)c1
• InChI: InChI=1S/C22H26N4O3/c1-15(2)14-24-22(28)20-25-19(18-9-4-5-12-26(18)20)21(27)23-11-10-16-7-6-8-17(13-16)29-3/h4-9,12-13,15H,10-11,14H2,1-3H3,(H,23,27)(H,24,28)
• InChIKey: REYNROWZMHJVOZ-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 1-N-[2-(3-methoxyphenyl)ethyl]-3-N-(2-methylpropyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide?

The IUPAC name of 1-N-[2-(3-methoxyphenyl)ethyl]-3-N-(2-methylpropyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide (CID 109067549) is 1-N-[2-(3-methoxyphenyl)ethyl]-3-N-(2-methylpropyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide.

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

The canonical SMILES for 1-N-[2-(3-methoxyphenyl)ethyl]-3-N-(2-methylpropyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide is COc1cccc(CCNC(=O)c2nc(C(=O)NCC(C)C)n3ccccc23)c1.

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

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

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

1-N-[2-(3-methoxyphenyl)ethyl]-3-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 1-N-[2-(3-methoxyphenyl)ethyl]-3-N-(2-methylpropyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide is sourced from PubChem (CID 109067549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).