(1-methyl-3-phenylpyrazol-5-yl)-[4-[6-(pyridin-2-ylamino)pyridazin-3-yl]piperazin-1-yl]methanone

C24H24N8O — CID 122347352

About (1-methyl-3-phenylpyrazol-5-yl)-[4-[6-(pyridin-2-ylamino)pyridazin-3-yl]piperazin-1-yl]methanone

(1-methyl-3-phenylpyrazol-5-yl)-[4-[6-(pyridin-2-ylamino)pyridazin-3-yl]piperazin-1-yl]methanone (PubChem CID 122347352) has the molecular formula C24H24N8O and a molecular weight of 440.51 g/mol. Its IUPAC name is (1-methyl-3-phenylpyrazol-5-yl)-[4-[6-(pyridin-2-ylamino)pyridazin-3-yl]piperazin-1-yl]methanone.

Molecular Properties

• Compound Name: (1-methyl-3-phenylpyrazol-5-yl)-[4-[6-(pyridin-2-ylamino)pyridazin-3-yl]piperazin-1-yl]methanone
• PubChem CID: 122347352
• Molecular Formula: C24H24N8O
• Molecular Weight: 440.51 g/mol
• Exact Mass: 440.21
• IUPAC Name: (1-methyl-3-phenylpyrazol-5-yl)-[4-[6-(pyridin-2-ylamino)pyridazin-3-yl]piperazin-1-yl]methanone
• SMILES: Cn1nc(-c2ccccc2)cc1C(=O)N1CCN(c2ccc(Nc3ccccn3)nn2)CC1
• InChI: InChI=1S/C24H24N8O/c1-30-20(17-19(29-30)18-7-3-2-4-8-18)24(33)32-15-13-31(14-16-32)23-11-10-22(27-28-23)26-21-9-5-6-12-25-21/h2-12,17H,13-16H2,1H3,(H,25,26,27)
• InChIKey: BHJAZJCEAJHTHI-UHFFFAOYSA-N
• XLogP: 2.98
• TPSA: 92.07 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	440.51
LogP ≤ 5	2.98
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of (1-methyl-3-phenylpyrazol-5-yl)-[4-[6-(pyridin-2-ylamino)pyridazin-3-yl]piperazin-1-yl]methanone?

The IUPAC name of (1-methyl-3-phenylpyrazol-5-yl)-[4-[6-(pyridin-2-ylamino)pyridazin-3-yl]piperazin-1-yl]methanone (CID 122347352) is (1-methyl-3-phenylpyrazol-5-yl)-[4-[6-(pyridin-2-ylamino)pyridazin-3-yl]piperazin-1-yl]methanone.

What is the SMILES notation for (1-methyl-3-phenylpyrazol-5-yl)-[4-[6-(pyridin-2-ylamino)pyridazin-3-yl]piperazin-1-yl]methanone?

The canonical SMILES for (1-methyl-3-phenylpyrazol-5-yl)-[4-[6-(pyridin-2-ylamino)pyridazin-3-yl]piperazin-1-yl]methanone is Cn1nc(-c2ccccc2)cc1C(=O)N1CCN(c2ccc(Nc3ccccn3)nn2)CC1.

What is the InChIKey of (1-methyl-3-phenylpyrazol-5-yl)-[4-[6-(pyridin-2-ylamino)pyridazin-3-yl]piperazin-1-yl]methanone?

The InChIKey is BHJAZJCEAJHTHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N8O/c1-30-20(17-19(29-30)18-7-3-2-4-8-18)24(33)32-15-13-31(14-16-32)23-11-10-22(27-28-23)26-21-9-5-6-12-25-21/h2-12,17H,13-16H2,1H3,(H,25,26,27).

What are the key properties of (1-methyl-3-phenylpyrazol-5-yl)-[4-[6-(pyridin-2-ylamino)pyridazin-3-yl]piperazin-1-yl]methanone?

(1-methyl-3-phenylpyrazol-5-yl)-[4-[6-(pyridin-2-ylamino)pyridazin-3-yl]piperazin-1-yl]methanone has a molecular weight of 440.51 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (1-methyl-3-phenylpyrazol-5-yl)-[4-[6-(pyridin-2-ylamino)pyridazin-3-yl]piperazin-1-yl]methanone is sourced from PubChem (CID 122347352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).