1-(4-cyclobutylpiperazin-1-yl)-3-[4-[6-(3,4-dichlorophenyl)pyridazin-3-yl]piperazin-1-yl]propan-2-one

C25H32Cl2N6O — CID 143404073

About 1-(4-cyclobutylpiperazin-1-yl)-3-[4-[6-(3,4-dichlorophenyl)pyridazin-3-yl]piperazin-1-yl]propan-2-one

1-(4-cyclobutylpiperazin-1-yl)-3-[4-[6-(3,4-dichlorophenyl)pyridazin-3-yl]piperazin-1-yl]propan-2-one (PubChem CID 143404073) has the molecular formula C25H32Cl2N6O and a molecular weight of 503.48 g/mol. Its IUPAC name is 1-(4-cyclobutylpiperazin-1-yl)-3-[4-[6-(3,4-dichlorophenyl)pyridazin-3-yl]piperazin-1-yl]propan-2-one.

Molecular Properties

• Compound Name: 1-(4-cyclobutylpiperazin-1-yl)-3-[4-[6-(3,4-dichlorophenyl)pyridazin-3-yl]piperazin-1-yl]propan-2-one
• PubChem CID: 143404073
• Molecular Formula: C25H32Cl2N6O
• Molecular Weight: 503.48 g/mol
• Exact Mass: 502.20
• IUPAC Name: 1-(4-cyclobutylpiperazin-1-yl)-3-[4-[6-(3,4-dichlorophenyl)pyridazin-3-yl]piperazin-1-yl]propan-2-one
• SMILES: O=C(CN1CCN(c2ccc(-c3ccc(Cl)c(Cl)c3)nn2)CC1)CN1CCN(C2CCC2)CC1
• InChI: InChI=1S/C25H32Cl2N6O/c26-22-5-4-19(16-23(22)27)24-6-7-25(29-28-24)33-14-10-31(11-15-33)18-21(34)17-30-8-12-32(13-9-30)20-2-1-3-20/h4-7,16,20H,1-3,8-15,17-18H2
• InChIKey: IAJVYEYJSCBZCX-UHFFFAOYSA-N
• XLogP: 3.31
• TPSA: 55.81 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	503.48
LogP ≤ 5	3.31
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 1-(4-cyclobutylpiperazin-1-yl)-3-[4-[6-(3,4-dichlorophenyl)pyridazin-3-yl]piperazin-1-yl]propan-2-one (CID 143404073) is 1-(4-cyclobutylpiperazin-1-yl)-3-[4-[6-(3,4-dichlorophenyl)pyridazin-3-yl]piperazin-1-yl]propan-2-one.

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

The canonical SMILES for 1-(4-cyclobutylpiperazin-1-yl)-3-[4-[6-(3,4-dichlorophenyl)pyridazin-3-yl]piperazin-1-yl]propan-2-one is O=C(CN1CCN(c2ccc(-c3ccc(Cl)c(Cl)c3)nn2)CC1)CN1CCN(C2CCC2)CC1.

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

The InChIKey is IAJVYEYJSCBZCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32Cl2N6O/c26-22-5-4-19(16-23(22)27)24-6-7-25(29-28-24)33-14-10-31(11-15-33)18-21(34)17-30-8-12-32(13-9-30)20-2-1-3-20/h4-7,16,20H,1-3,8-15,17-18H2.

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

1-(4-cyclobutylpiperazin-1-yl)-3-[4-[6-(3,4-dichlorophenyl)pyridazin-3-yl]piperazin-1-yl]propan-2-one has a molecular weight of 503.48 g/mol, XLogP of 3.31, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(4-cyclobutylpiperazin-1-yl)-3-[4-[6-(3,4-dichlorophenyl)pyridazin-3-yl]piperazin-1-yl]propan-2-one is sourced from PubChem (CID 143404073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).