6-indol-1-yl-2-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]pyridazin-3-one

C27H31N5O2 — CID 10072826

About 6-indol-1-yl-2-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]pyridazin-3-one

6-indol-1-yl-2-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]pyridazin-3-one (PubChem CID 10072826) has the molecular formula C27H31N5O2 and a molecular weight of 457.58 g/mol. Its IUPAC name is 6-indol-1-yl-2-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]pyridazin-3-one.

Molecular Properties

• Compound Name: 6-indol-1-yl-2-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]pyridazin-3-one
• PubChem CID: 10072826
• Molecular Formula: C27H31N5O2
• Molecular Weight: 457.58 g/mol
• Exact Mass: 457.25
• IUPAC Name: 6-indol-1-yl-2-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]pyridazin-3-one
• SMILES: COc1ccccc1N1CCN(CCCCn2nc(-n3ccc4ccccc43)ccc2=O)CC1
• InChI: InChI=1S/C27H31N5O2/c1-34-25-11-5-4-10-24(25)30-20-18-29(19-21-30)15-6-7-16-32-27(33)13-12-26(28-32)31-17-14-22-8-2-3-9-23(22)31/h2-5,8-14,17H,6-7,15-16,18-21H2,1H3
• InChIKey: AENMCUGUMJQVHK-UHFFFAOYSA-N
• XLogP: 3.80
• TPSA: 55.53 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	457.58
LogP ≤ 5	3.80
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 6-indol-1-yl-2-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]pyridazin-3-one (CID 10072826) is 6-indol-1-yl-2-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]pyridazin-3-one.

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

The canonical SMILES for 6-indol-1-yl-2-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]pyridazin-3-one is COc1ccccc1N1CCN(CCCCn2nc(-n3ccc4ccccc43)ccc2=O)CC1.

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

The InChIKey is AENMCUGUMJQVHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N5O2/c1-34-25-11-5-4-10-24(25)30-20-18-29(19-21-30)15-6-7-16-32-27(33)13-12-26(28-32)31-17-14-22-8-2-3-9-23(22)31/h2-5,8-14,17H,6-7,15-16,18-21H2,1H3.

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

6-indol-1-yl-2-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]pyridazin-3-one has a molecular weight of 457.58 g/mol, XLogP of 3.80, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-indol-1-yl-2-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]pyridazin-3-one is sourced from PubChem (CID 10072826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).