2-[2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-oxoethyl]-6-(4-methylphenyl)pyridazin-3-one

C24H25ClN4O2 — CID 4582579

IUPAC2-[2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-oxoethyl]-6-(4-methylphenyl)pyridazin-3-one
SMILESCc1ccc(-c2ccc(=O)n(CC(=O)N3CCN(c4cc(Cl)ccc4C)CC3)n2)cc1
InChIInChI=1S/C24H25ClN4O2/c1-17-3-6-19(7-4-17)21-9-10-23(30)29(26-21)16-24(31)28-13-11-27(12-14-28)22-15-20(25)8-5-18(22)2/h3-10,15H,11-14,16H2,1-2H3
InChIKeyVGZZOPKFEVHPIP-UHFFFAOYSA-N
MW436.94 g/mol
LogP3.53
Rot. Bonds4

About 2-[2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-oxoethyl]-6-(4-methylphenyl)pyridazin-3-one

2-[2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-oxoethyl]-6-(4-methylphenyl)pyridazin-3-one (PubChem CID 4582579) has the molecular formula C24H25ClN4O2 and a molecular weight of 436.94 g/mol. Its IUPAC name is 2-[2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-oxoethyl]-6-(4-methylphenyl)pyridazin-3-one.

Molecular Properties

Compound Name2-[2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-oxoethyl]-6-(4-methylphenyl)pyridazin-3-one
PubChem CID4582579
Molecular FormulaC24H25ClN4O2
Molecular Weight436.94 g/mol
Exact Mass436.17
IUPAC Name2-[2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-oxoethyl]-6-(4-methylphenyl)pyridazin-3-one
SMILESCc1ccc(-c2ccc(=O)n(CC(=O)N3CCN(c4cc(Cl)ccc4C)CC3)n2)cc1
InChIInChI=1S/C24H25ClN4O2/c1-17-3-6-19(7-4-17)21-9-10-23(30)29(26-21)16-24(31)28-13-11-27(12-14-28)22-15-20(25)8-5-18(22)2/h3-10,15H,11-14,16H2,1-2H3
InChIKeyVGZZOPKFEVHPIP-UHFFFAOYSA-N
XLogP3.53
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.94
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-oxoethyl]-6-(4-methylphenyl)pyridazin-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 2-[2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-oxoethyl]-6-(4-methylphenyl)pyridazin-3-one?
The IUPAC name of 2-[2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-oxoethyl]-6-(4-methylphenyl)pyridazin-3-one (CID 4582579) is 2-[2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-oxoethyl]-6-(4-methylphenyl)pyridazin-3-one.
What is the SMILES notation for 2-[2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-oxoethyl]-6-(4-methylphenyl)pyridazin-3-one?
The canonical SMILES for 2-[2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-oxoethyl]-6-(4-methylphenyl)pyridazin-3-one is Cc1ccc(-c2ccc(=O)n(CC(=O)N3CCN(c4cc(Cl)ccc4C)CC3)n2)cc1.
What is the InChIKey of 2-[2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-oxoethyl]-6-(4-methylphenyl)pyridazin-3-one?
The InChIKey is VGZZOPKFEVHPIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClN4O2/c1-17-3-6-19(7-4-17)21-9-10-23(30)29(26-21)16-24(31)28-13-11-27(12-14-28)22-15-20(25)8-5-18(22)2/h3-10,15H,11-14,16H2,1-2H3.
What are the key properties of 2-[2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-oxoethyl]-6-(4-methylphenyl)pyridazin-3-one?
2-[2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-oxoethyl]-6-(4-methylphenyl)pyridazin-3-one has a molecular weight of 436.94 g/mol, XLogP of 3.53, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-oxoethyl]-6-(4-methylphenyl)pyridazin-3-one is sourced from PubChem (CID 4582579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).