(2-methylimidazo[1,2-a]pyridin-3-yl)-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone

C21H22N8O — CID 122345889

About (2-methylimidazo[1,2-a]pyridin-3-yl)-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone

(2-methylimidazo[1,2-a]pyridin-3-yl)-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone (PubChem CID 122345889) has the molecular formula C21H22N8O and a molecular weight of 402.46 g/mol. Its IUPAC name is (2-methylimidazo[1,2-a]pyridin-3-yl)-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone.

Molecular Properties

• Compound Name: (2-methylimidazo[1,2-a]pyridin-3-yl)-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone
• PubChem CID: 122345889
• Molecular Formula: C21H22N8O
• Molecular Weight: 402.46 g/mol
• Exact Mass: 402.19
• IUPAC Name: (2-methylimidazo[1,2-a]pyridin-3-yl)-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone
• SMILES: Cc1ccn(-c2ccc(N3CCN(C(=O)c4c(C)nc5ccccn45)CC3)nn2)n1
• InChI: InChI=1S/C21H22N8O/c1-15-8-10-29(25-15)19-7-6-18(23-24-19)26-11-13-27(14-12-26)21(30)20-16(2)22-17-5-3-4-9-28(17)20/h3-10H,11-14H2,1-2H3
• InChIKey: YEPOWONLPCYWPL-UHFFFAOYSA-N
• XLogP: 1.89
• TPSA: 84.45 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 3
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	402.46
LogP ≤ 5	1.89
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of (2-methylimidazo[1,2-a]pyridin-3-yl)-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone?

The IUPAC name of (2-methylimidazo[1,2-a]pyridin-3-yl)-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone (CID 122345889) is (2-methylimidazo[1,2-a]pyridin-3-yl)-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone.

What is the SMILES notation for (2-methylimidazo[1,2-a]pyridin-3-yl)-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone?

The canonical SMILES for (2-methylimidazo[1,2-a]pyridin-3-yl)-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone is Cc1ccn(-c2ccc(N3CCN(C(=O)c4c(C)nc5ccccn45)CC3)nn2)n1.

What is the InChIKey of (2-methylimidazo[1,2-a]pyridin-3-yl)-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone?

The InChIKey is YEPOWONLPCYWPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N8O/c1-15-8-10-29(25-15)19-7-6-18(23-24-19)26-11-13-27(14-12-26)21(30)20-16(2)22-17-5-3-4-9-28(17)20/h3-10H,11-14H2,1-2H3.

What are the key properties of (2-methylimidazo[1,2-a]pyridin-3-yl)-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone?

(2-methylimidazo[1,2-a]pyridin-3-yl)-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone has a molecular weight of 402.46 g/mol, XLogP of 1.89, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (2-methylimidazo[1,2-a]pyridin-3-yl)-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone is sourced from PubChem (CID 122345889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).