3-(4-ethylpiperazine-1-carbonyl)-N-(pyridin-4-ylmethyl)imidazo[1,5-a]pyridine-1-carboxamide

C21H24N6O2 — CID 109070021

About 3-(4-ethylpiperazine-1-carbonyl)-N-(pyridin-4-ylmethyl)imidazo[1,5-a]pyridine-1-carboxamide

3-(4-ethylpiperazine-1-carbonyl)-N-(pyridin-4-ylmethyl)imidazo[1,5-a]pyridine-1-carboxamide (PubChem CID 109070021) has the molecular formula C21H24N6O2 and a molecular weight of 392.46 g/mol. Its IUPAC name is 3-(4-ethylpiperazine-1-carbonyl)-N-(pyridin-4-ylmethyl)imidazo[1,5-a]pyridine-1-carboxamide.

Molecular Properties

• Compound Name: 3-(4-ethylpiperazine-1-carbonyl)-N-(pyridin-4-ylmethyl)imidazo[1,5-a]pyridine-1-carboxamide
• PubChem CID: 109070021
• Molecular Formula: C21H24N6O2
• Molecular Weight: 392.46 g/mol
• Exact Mass: 392.20
• IUPAC Name: 3-(4-ethylpiperazine-1-carbonyl)-N-(pyridin-4-ylmethyl)imidazo[1,5-a]pyridine-1-carboxamide
• SMILES: CCN1CCN(C(=O)c2nc(C(=O)NCc3ccncc3)c3ccccn23)CC1
• InChI: InChI=1S/C21H24N6O2/c1-2-25-11-13-26(14-12-25)21(29)19-24-18(17-5-3-4-10-27(17)19)20(28)23-15-16-6-8-22-9-7-16/h3-10H,2,11-15H2,1H3,(H,23,28)
• InChIKey: RMRORWWFVHXMQZ-UHFFFAOYSA-N
• XLogP: 1.44
• TPSA: 82.84 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	392.46
LogP ≤ 5	1.44
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethylpiperazine-1-carbonyl)-N-(pyridin-4-ylmethyl)imidazo[1,5-a]pyridine-1-carboxamide?

The IUPAC name of 3-(4-ethylpiperazine-1-carbonyl)-N-(pyridin-4-ylmethyl)imidazo[1,5-a]pyridine-1-carboxamide (CID 109070021) is 3-(4-ethylpiperazine-1-carbonyl)-N-(pyridin-4-ylmethyl)imidazo[1,5-a]pyridine-1-carboxamide.

What is the SMILES notation for 3-(4-ethylpiperazine-1-carbonyl)-N-(pyridin-4-ylmethyl)imidazo[1,5-a]pyridine-1-carboxamide?

The canonical SMILES for 3-(4-ethylpiperazine-1-carbonyl)-N-(pyridin-4-ylmethyl)imidazo[1,5-a]pyridine-1-carboxamide is CCN1CCN(C(=O)c2nc(C(=O)NCc3ccncc3)c3ccccn23)CC1.

What is the InChIKey of 3-(4-ethylpiperazine-1-carbonyl)-N-(pyridin-4-ylmethyl)imidazo[1,5-a]pyridine-1-carboxamide?

The InChIKey is RMRORWWFVHXMQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O2/c1-2-25-11-13-26(14-12-25)21(29)19-24-18(17-5-3-4-10-27(17)19)20(28)23-15-16-6-8-22-9-7-16/h3-10H,2,11-15H2,1H3,(H,23,28).

What are the key properties of 3-(4-ethylpiperazine-1-carbonyl)-N-(pyridin-4-ylmethyl)imidazo[1,5-a]pyridine-1-carboxamide?

3-(4-ethylpiperazine-1-carbonyl)-N-(pyridin-4-ylmethyl)imidazo[1,5-a]pyridine-1-carboxamide has a molecular weight of 392.46 g/mol, XLogP of 1.44, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(4-ethylpiperazine-1-carbonyl)-N-(pyridin-4-ylmethyl)imidazo[1,5-a]pyridine-1-carboxamide is sourced from PubChem (CID 109070021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).