6-imidazol-1-yl-2-[7-[4-(2-methoxyphenyl)piperazin-1-yl]heptyl]pyridazin-3-one

C25H34N6O2 — CID 11134154

About 6-imidazol-1-yl-2-[7-[4-(2-methoxyphenyl)piperazin-1-yl]heptyl]pyridazin-3-one

6-imidazol-1-yl-2-[7-[4-(2-methoxyphenyl)piperazin-1-yl]heptyl]pyridazin-3-one (PubChem CID 11134154) has the molecular formula C25H34N6O2 and a molecular weight of 450.59 g/mol. Its IUPAC name is 6-imidazol-1-yl-2-[7-[4-(2-methoxyphenyl)piperazin-1-yl]heptyl]pyridazin-3-one.

Molecular Properties

• Compound Name: 6-imidazol-1-yl-2-[7-[4-(2-methoxyphenyl)piperazin-1-yl]heptyl]pyridazin-3-one
• PubChem CID: 11134154
• Molecular Formula: C25H34N6O2
• Molecular Weight: 450.59 g/mol
• Exact Mass: 450.27
• IUPAC Name: 6-imidazol-1-yl-2-[7-[4-(2-methoxyphenyl)piperazin-1-yl]heptyl]pyridazin-3-one
• SMILES: COc1ccccc1N1CCN(CCCCCCCn2nc(-n3ccnc3)ccc2=O)CC1
• InChI: InChI=1S/C25H34N6O2/c1-33-23-10-6-5-9-22(23)29-19-17-28(18-20-29)14-7-3-2-4-8-15-31-25(32)12-11-24(27-31)30-16-13-26-21-30/h5-6,9-13,16,21H,2-4,7-8,14-15,17-20H2,1H3
• InChIKey: KXDWILMTNQPDCR-UHFFFAOYSA-N
• XLogP: 3.21
• TPSA: 68.42 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 11
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	450.59
LogP ≤ 5	3.21
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-imidazol-1-yl-2-[7-[4-(2-methoxyphenyl)piperazin-1-yl]heptyl]pyridazin-3-one?

The IUPAC name of 6-imidazol-1-yl-2-[7-[4-(2-methoxyphenyl)piperazin-1-yl]heptyl]pyridazin-3-one (CID 11134154) is 6-imidazol-1-yl-2-[7-[4-(2-methoxyphenyl)piperazin-1-yl]heptyl]pyridazin-3-one.

What is the SMILES notation for 6-imidazol-1-yl-2-[7-[4-(2-methoxyphenyl)piperazin-1-yl]heptyl]pyridazin-3-one?

The canonical SMILES for 6-imidazol-1-yl-2-[7-[4-(2-methoxyphenyl)piperazin-1-yl]heptyl]pyridazin-3-one is COc1ccccc1N1CCN(CCCCCCCn2nc(-n3ccnc3)ccc2=O)CC1.

What is the InChIKey of 6-imidazol-1-yl-2-[7-[4-(2-methoxyphenyl)piperazin-1-yl]heptyl]pyridazin-3-one?

The InChIKey is KXDWILMTNQPDCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N6O2/c1-33-23-10-6-5-9-22(23)29-19-17-28(18-20-29)14-7-3-2-4-8-15-31-25(32)12-11-24(27-31)30-16-13-26-21-30/h5-6,9-13,16,21H,2-4,7-8,14-15,17-20H2,1H3.

What are the key properties of 6-imidazol-1-yl-2-[7-[4-(2-methoxyphenyl)piperazin-1-yl]heptyl]pyridazin-3-one?

6-imidazol-1-yl-2-[7-[4-(2-methoxyphenyl)piperazin-1-yl]heptyl]pyridazin-3-one has a molecular weight of 450.59 g/mol, XLogP of 3.21, 11 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-imidazol-1-yl-2-[7-[4-(2-methoxyphenyl)piperazin-1-yl]heptyl]pyridazin-3-one is sourced from PubChem (CID 11134154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).