2-methyl-1-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]-2-phenylpropan-1-one

C22H26N6O — CID 133290882

About 2-methyl-1-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]-2-phenylpropan-1-one

2-methyl-1-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]-2-phenylpropan-1-one (PubChem CID 133290882) has the molecular formula C22H26N6O and a molecular weight of 390.49 g/mol. Its IUPAC name is 2-methyl-1-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]-2-phenylpropan-1-one.

Molecular Properties

• Compound Name: 2-methyl-1-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]-2-phenylpropan-1-one
• PubChem CID: 133290882
• Molecular Formula: C22H26N6O
• Molecular Weight: 390.49 g/mol
• Exact Mass: 390.22
• IUPAC Name: 2-methyl-1-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]-2-phenylpropan-1-one
• SMILES: Cc1ccn(-c2ccc(N3CCN(C(=O)C(C)(C)c4ccccc4)CC3)nn2)n1
• InChI: InChI=1S/C22H26N6O/c1-17-11-12-28(25-17)20-10-9-19(23-24-20)26-13-15-27(16-14-26)21(29)22(2,3)18-7-5-4-6-8-18/h4-12H,13-16H2,1-3H3
• InChIKey: AJAVSGPCCUQRRE-UHFFFAOYSA-N
• XLogP: 2.60
• TPSA: 67.15 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	390.49
LogP ≤ 5	2.60
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]-2-phenylpropan-1-one?

The IUPAC name of 2-methyl-1-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]-2-phenylpropan-1-one (CID 133290882) is 2-methyl-1-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]-2-phenylpropan-1-one.

What is the SMILES notation for 2-methyl-1-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]-2-phenylpropan-1-one?

The canonical SMILES for 2-methyl-1-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]-2-phenylpropan-1-one is Cc1ccn(-c2ccc(N3CCN(C(=O)C(C)(C)c4ccccc4)CC3)nn2)n1.

What is the InChIKey of 2-methyl-1-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]-2-phenylpropan-1-one?

The InChIKey is AJAVSGPCCUQRRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6O/c1-17-11-12-28(25-17)20-10-9-19(23-24-20)26-13-15-27(16-14-26)21(29)22(2,3)18-7-5-4-6-8-18/h4-12H,13-16H2,1-3H3.

What are the key properties of 2-methyl-1-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]-2-phenylpropan-1-one?

2-methyl-1-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]-2-phenylpropan-1-one has a molecular weight of 390.49 g/mol, XLogP of 2.60, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methyl-1-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]-2-phenylpropan-1-one is sourced from PubChem (CID 133290882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).