1-(4-cyclobutylpiperazin-1-yl)-2-[4-[6-(3-propan-2-ylphenyl)pyridazin-3-yl]piperazin-1-yl]ethanone

C27H38N6O — CID 57443060

About 1-(4-cyclobutylpiperazin-1-yl)-2-[4-[6-(3-propan-2-ylphenyl)pyridazin-3-yl]piperazin-1-yl]ethanone

1-(4-cyclobutylpiperazin-1-yl)-2-[4-[6-(3-propan-2-ylphenyl)pyridazin-3-yl]piperazin-1-yl]ethanone (PubChem CID 57443060) has the molecular formula C27H38N6O and a molecular weight of 462.64 g/mol. Its IUPAC name is 1-(4-cyclobutylpiperazin-1-yl)-2-[4-[6-(3-propan-2-ylphenyl)pyridazin-3-yl]piperazin-1-yl]ethanone.

Molecular Properties

• Compound Name: 1-(4-cyclobutylpiperazin-1-yl)-2-[4-[6-(3-propan-2-ylphenyl)pyridazin-3-yl]piperazin-1-yl]ethanone
• PubChem CID: 57443060
• Molecular Formula: C27H38N6O
• Molecular Weight: 462.64 g/mol
• Exact Mass: 462.31
• IUPAC Name: 1-(4-cyclobutylpiperazin-1-yl)-2-[4-[6-(3-propan-2-ylphenyl)pyridazin-3-yl]piperazin-1-yl]ethanone
• SMILES: CC(C)c1cccc(-c2ccc(N3CCN(CC(=O)N4CCN(C5CCC5)CC4)CC3)nn2)c1
• InChI: InChI=1S/C27H38N6O/c1-21(2)22-5-3-6-23(19-22)25-9-10-26(29-28-25)32-13-11-30(12-14-32)20-27(34)33-17-15-31(16-18-33)24-7-4-8-24/h3,5-6,9-10,19,21,24H,4,7-8,11-18,20H2,1-2H3
• InChIKey: YJJQKZSFRQWNGD-UHFFFAOYSA-N
• XLogP: 3.09
• TPSA: 55.81 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	462.64
LogP ≤ 5	3.09
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclobutylpiperazin-1-yl)-2-[4-[6-(3-propan-2-ylphenyl)pyridazin-3-yl]piperazin-1-yl]ethanone?

The IUPAC name of 1-(4-cyclobutylpiperazin-1-yl)-2-[4-[6-(3-propan-2-ylphenyl)pyridazin-3-yl]piperazin-1-yl]ethanone (CID 57443060) is 1-(4-cyclobutylpiperazin-1-yl)-2-[4-[6-(3-propan-2-ylphenyl)pyridazin-3-yl]piperazin-1-yl]ethanone.

What is the SMILES notation for 1-(4-cyclobutylpiperazin-1-yl)-2-[4-[6-(3-propan-2-ylphenyl)pyridazin-3-yl]piperazin-1-yl]ethanone?

The canonical SMILES for 1-(4-cyclobutylpiperazin-1-yl)-2-[4-[6-(3-propan-2-ylphenyl)pyridazin-3-yl]piperazin-1-yl]ethanone is CC(C)c1cccc(-c2ccc(N3CCN(CC(=O)N4CCN(C5CCC5)CC4)CC3)nn2)c1.

What is the InChIKey of 1-(4-cyclobutylpiperazin-1-yl)-2-[4-[6-(3-propan-2-ylphenyl)pyridazin-3-yl]piperazin-1-yl]ethanone?

The InChIKey is YJJQKZSFRQWNGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H38N6O/c1-21(2)22-5-3-6-23(19-22)25-9-10-26(29-28-25)32-13-11-30(12-14-32)20-27(34)33-17-15-31(16-18-33)24-7-4-8-24/h3,5-6,9-10,19,21,24H,4,7-8,11-18,20H2,1-2H3.

What are the key properties of 1-(4-cyclobutylpiperazin-1-yl)-2-[4-[6-(3-propan-2-ylphenyl)pyridazin-3-yl]piperazin-1-yl]ethanone?

1-(4-cyclobutylpiperazin-1-yl)-2-[4-[6-(3-propan-2-ylphenyl)pyridazin-3-yl]piperazin-1-yl]ethanone has a molecular weight of 462.64 g/mol, XLogP of 3.09, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(4-cyclobutylpiperazin-1-yl)-2-[4-[6-(3-propan-2-ylphenyl)pyridazin-3-yl]piperazin-1-yl]ethanone is sourced from PubChem (CID 57443060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).