2-(6-pyrazol-1-ylpyridazin-3-yl)oxy-1-[4-(6-pyrrolidin-1-ylpyridazin-4-yl)piperazin-1-yl]ethanone

C21H25N9O2 — CID 72718281

About 2-(6-pyrazol-1-ylpyridazin-3-yl)oxy-1-[4-(6-pyrrolidin-1-ylpyridazin-4-yl)piperazin-1-yl]ethanone

2-(6-pyrazol-1-ylpyridazin-3-yl)oxy-1-[4-(6-pyrrolidin-1-ylpyridazin-4-yl)piperazin-1-yl]ethanone (PubChem CID 72718281) has the molecular formula C21H25N9O2 and a molecular weight of 435.49 g/mol. Its IUPAC name is 2-(6-pyrazol-1-ylpyridazin-3-yl)oxy-1-[4-(6-pyrrolidin-1-ylpyridazin-4-yl)piperazin-1-yl]ethanone.

Molecular Properties

• Compound Name: 2-(6-pyrazol-1-ylpyridazin-3-yl)oxy-1-[4-(6-pyrrolidin-1-ylpyridazin-4-yl)piperazin-1-yl]ethanone
• PubChem CID: 72718281
• Molecular Formula: C21H25N9O2
• Molecular Weight: 435.49 g/mol
• Exact Mass: 435.21
• IUPAC Name: 2-(6-pyrazol-1-ylpyridazin-3-yl)oxy-1-[4-(6-pyrrolidin-1-ylpyridazin-4-yl)piperazin-1-yl]ethanone
• SMILES: O=C(COc1ccc(-n2cccn2)nn1)N1CCN(c2cnnc(N3CCCC3)c2)CC1
• InChI: InChI=1S/C21H25N9O2/c31-21(16-32-20-5-4-18(25-26-20)30-9-3-6-23-30)29-12-10-27(11-13-29)17-14-19(24-22-15-17)28-7-1-2-8-28/h3-6,9,14-15H,1-2,7-8,10-13,16H2
• InChIKey: LYMAGGKHZPQCMK-UHFFFAOYSA-N
• XLogP: 0.78
• TPSA: 105.40 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	435.49
LogP ≤ 5	0.78
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 2-(6-pyrazol-1-ylpyridazin-3-yl)oxy-1-[4-(6-pyrrolidin-1-ylpyridazin-4-yl)piperazin-1-yl]ethanone?

The IUPAC name of 2-(6-pyrazol-1-ylpyridazin-3-yl)oxy-1-[4-(6-pyrrolidin-1-ylpyridazin-4-yl)piperazin-1-yl]ethanone (CID 72718281) is 2-(6-pyrazol-1-ylpyridazin-3-yl)oxy-1-[4-(6-pyrrolidin-1-ylpyridazin-4-yl)piperazin-1-yl]ethanone.

What is the SMILES notation for 2-(6-pyrazol-1-ylpyridazin-3-yl)oxy-1-[4-(6-pyrrolidin-1-ylpyridazin-4-yl)piperazin-1-yl]ethanone?

The canonical SMILES for 2-(6-pyrazol-1-ylpyridazin-3-yl)oxy-1-[4-(6-pyrrolidin-1-ylpyridazin-4-yl)piperazin-1-yl]ethanone is O=C(COc1ccc(-n2cccn2)nn1)N1CCN(c2cnnc(N3CCCC3)c2)CC1.

What is the InChIKey of 2-(6-pyrazol-1-ylpyridazin-3-yl)oxy-1-[4-(6-pyrrolidin-1-ylpyridazin-4-yl)piperazin-1-yl]ethanone?

The InChIKey is LYMAGGKHZPQCMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N9O2/c31-21(16-32-20-5-4-18(25-26-20)30-9-3-6-23-30)29-12-10-27(11-13-29)17-14-19(24-22-15-17)28-7-1-2-8-28/h3-6,9,14-15H,1-2,7-8,10-13,16H2.

What are the key properties of 2-(6-pyrazol-1-ylpyridazin-3-yl)oxy-1-[4-(6-pyrrolidin-1-ylpyridazin-4-yl)piperazin-1-yl]ethanone?

2-(6-pyrazol-1-ylpyridazin-3-yl)oxy-1-[4-(6-pyrrolidin-1-ylpyridazin-4-yl)piperazin-1-yl]ethanone has a molecular weight of 435.49 g/mol, XLogP of 0.78, 6 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(6-pyrazol-1-ylpyridazin-3-yl)oxy-1-[4-(6-pyrrolidin-1-ylpyridazin-4-yl)piperazin-1-yl]ethanone is sourced from PubChem (CID 72718281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).