1-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]-2-naphthalen-1-ylethanone

C25H26N6O — CID 122339228

About 1-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]-2-naphthalen-1-ylethanone

1-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]-2-naphthalen-1-ylethanone (PubChem CID 122339228) has the molecular formula C25H26N6O and a molecular weight of 426.52 g/mol. Its IUPAC name is 1-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]-2-naphthalen-1-ylethanone.

Molecular Properties

• Compound Name: 1-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]-2-naphthalen-1-ylethanone
• PubChem CID: 122339228
• Molecular Formula: C25H26N6O
• Molecular Weight: 426.52 g/mol
• Exact Mass: 426.22
• IUPAC Name: 1-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]-2-naphthalen-1-ylethanone
• SMILES: Cc1cc(C)n(-c2ccc(N3CCN(C(=O)Cc4cccc5ccccc45)CC3)nn2)n1
• InChI: InChI=1S/C25H26N6O/c1-18-16-19(2)31(28-18)24-11-10-23(26-27-24)29-12-14-30(15-13-29)25(32)17-21-8-5-7-20-6-3-4-9-22(20)21/h3-11,16H,12-15,17H2,1-2H3
• InChIKey: KNTKRZURJLHKBK-UHFFFAOYSA-N
• XLogP: 3.32
• TPSA: 67.15 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	426.52
LogP ≤ 5	3.32
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]-2-naphthalen-1-ylethanone?

The IUPAC name of 1-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]-2-naphthalen-1-ylethanone (CID 122339228) is 1-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]-2-naphthalen-1-ylethanone.

What is the SMILES notation for 1-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]-2-naphthalen-1-ylethanone?

The canonical SMILES for 1-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]-2-naphthalen-1-ylethanone is Cc1cc(C)n(-c2ccc(N3CCN(C(=O)Cc4cccc5ccccc45)CC3)nn2)n1.

What is the InChIKey of 1-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]-2-naphthalen-1-ylethanone?

The InChIKey is KNTKRZURJLHKBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N6O/c1-18-16-19(2)31(28-18)24-11-10-23(26-27-24)29-12-14-30(15-13-29)25(32)17-21-8-5-7-20-6-3-4-9-22(20)21/h3-11,16H,12-15,17H2,1-2H3.

What are the key properties of 1-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]-2-naphthalen-1-ylethanone?

1-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]-2-naphthalen-1-ylethanone has a molecular weight of 426.52 g/mol, XLogP of 3.32, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]-2-naphthalen-1-ylethanone is sourced from PubChem (CID 122339228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).