4-[3-[4-(5-chloro-2-methoxyphenyl)piperazin-1-yl]propylamino]-2-methyl-6-phenylpyridazin-3-one

C25H30ClN5O2 — CID 11081136

IUPAC4-[3-[4-(5-chloro-2-methoxyphenyl)piperazin-1-yl]propylamino]-2-methyl-6-phenylpyridazin-3-one
SMILESCOc1ccc(Cl)cc1N1CCN(CCCNc2cc(-c3ccccc3)nn(C)c2=O)CC1
InChIInChI=1S/C25H30ClN5O2/c1-29-25(32)22(18-21(28-29)19-7-4-3-5-8-19)27-11-6-12-30-13-15-31(16-14-30)23-17-20(26)9-10-24(23)33-2/h3-5,7-10,17-18,27H,6,11-16H2,1-2H3
InChIKeyZVWUWJMYOLNCLM-UHFFFAOYSA-N
MW468.00 g/mol
LogP3.73
Rot. Bonds8

About 4-[3-[4-(5-chloro-2-methoxyphenyl)piperazin-1-yl]propylamino]-2-methyl-6-phenylpyridazin-3-one

4-[3-[4-(5-chloro-2-methoxyphenyl)piperazin-1-yl]propylamino]-2-methyl-6-phenylpyridazin-3-one (PubChem CID 11081136) has the molecular formula C25H30ClN5O2 and a molecular weight of 468.00 g/mol. Its IUPAC name is 4-[3-[4-(5-chloro-2-methoxyphenyl)piperazin-1-yl]propylamino]-2-methyl-6-phenylpyridazin-3-one.

Molecular Properties

Compound Name4-[3-[4-(5-chloro-2-methoxyphenyl)piperazin-1-yl]propylamino]-2-methyl-6-phenylpyridazin-3-one
PubChem CID11081136
Molecular FormulaC25H30ClN5O2
Molecular Weight468.00 g/mol
Exact Mass467.21
IUPAC Name4-[3-[4-(5-chloro-2-methoxyphenyl)piperazin-1-yl]propylamino]-2-methyl-6-phenylpyridazin-3-one
SMILESCOc1ccc(Cl)cc1N1CCN(CCCNc2cc(-c3ccccc3)nn(C)c2=O)CC1
InChIInChI=1S/C25H30ClN5O2/c1-29-25(32)22(18-21(28-29)19-7-4-3-5-8-19)27-11-6-12-30-13-15-31(16-14-30)23-17-20(26)9-10-24(23)33-2/h3-5,7-10,17-18,27H,6,11-16H2,1-2H3
InChIKeyZVWUWJMYOLNCLM-UHFFFAOYSA-N
XLogP3.73
TPSA62.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.00
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 4-[3-[4-(5-chloro-2-methoxyphenyl)piperazin-1-yl]propylamino]-2-methyl-6-phenylpyridazin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[3-[4-(5-chloro-2-methoxyphenyl)piperazin-1-yl]propylamino]-2-methyl-6-phenylpyridazin-3-one?
The IUPAC name of 4-[3-[4-(5-chloro-2-methoxyphenyl)piperazin-1-yl]propylamino]-2-methyl-6-phenylpyridazin-3-one (CID 11081136) is 4-[3-[4-(5-chloro-2-methoxyphenyl)piperazin-1-yl]propylamino]-2-methyl-6-phenylpyridazin-3-one.
What is the SMILES notation for 4-[3-[4-(5-chloro-2-methoxyphenyl)piperazin-1-yl]propylamino]-2-methyl-6-phenylpyridazin-3-one?
The canonical SMILES for 4-[3-[4-(5-chloro-2-methoxyphenyl)piperazin-1-yl]propylamino]-2-methyl-6-phenylpyridazin-3-one is COc1ccc(Cl)cc1N1CCN(CCCNc2cc(-c3ccccc3)nn(C)c2=O)CC1.
What is the InChIKey of 4-[3-[4-(5-chloro-2-methoxyphenyl)piperazin-1-yl]propylamino]-2-methyl-6-phenylpyridazin-3-one?
The InChIKey is ZVWUWJMYOLNCLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30ClN5O2/c1-29-25(32)22(18-21(28-29)19-7-4-3-5-8-19)27-11-6-12-30-13-15-31(16-14-30)23-17-20(26)9-10-24(23)33-2/h3-5,7-10,17-18,27H,6,11-16H2,1-2H3.
What are the key properties of 4-[3-[4-(5-chloro-2-methoxyphenyl)piperazin-1-yl]propylamino]-2-methyl-6-phenylpyridazin-3-one?
4-[3-[4-(5-chloro-2-methoxyphenyl)piperazin-1-yl]propylamino]-2-methyl-6-phenylpyridazin-3-one has a molecular weight of 468.00 g/mol, XLogP of 3.73, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[4-(5-chloro-2-methoxyphenyl)piperazin-1-yl]propylamino]-2-methyl-6-phenylpyridazin-3-one is sourced from PubChem (CID 11081136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).