6-(4-benzoylpiperazin-1-yl)-2-(4-fluorophenyl)pyridazin-3-one

C21H19FN4O2 — CID 53081727

IUPAC6-(4-benzoylpiperazin-1-yl)-2-(4-fluorophenyl)pyridazin-3-one
SMILESO=C(c1ccccc1)N1CCN(c2ccc(=O)n(-c3ccc(F)cc3)n2)CC1
InChIInChI=1S/C21H19FN4O2/c22-17-6-8-18(9-7-17)26-20(27)11-10-19(23-26)24-12-14-25(15-13-24)21(28)16-4-2-1-3-5-16/h1-11H,12-15H2
InChIKeyUIBSFYWQABTBIL-UHFFFAOYSA-N
MW378.41 g/mol
LogP2.33
Rot. Bonds3

About 6-(4-benzoylpiperazin-1-yl)-2-(4-fluorophenyl)pyridazin-3-one

6-(4-benzoylpiperazin-1-yl)-2-(4-fluorophenyl)pyridazin-3-one (PubChem CID 53081727) has the molecular formula C21H19FN4O2 and a molecular weight of 378.41 g/mol. Its IUPAC name is 6-(4-benzoylpiperazin-1-yl)-2-(4-fluorophenyl)pyridazin-3-one.

Molecular Properties

Compound Name6-(4-benzoylpiperazin-1-yl)-2-(4-fluorophenyl)pyridazin-3-one
PubChem CID53081727
Molecular FormulaC21H19FN4O2
Molecular Weight378.41 g/mol
Exact Mass378.15
IUPAC Name6-(4-benzoylpiperazin-1-yl)-2-(4-fluorophenyl)pyridazin-3-one
SMILESO=C(c1ccccc1)N1CCN(c2ccc(=O)n(-c3ccc(F)cc3)n2)CC1
InChIInChI=1S/C21H19FN4O2/c22-17-6-8-18(9-7-17)26-20(27)11-10-19(23-26)24-12-14-25(15-13-24)21(28)16-4-2-1-3-5-16/h1-11H,12-15H2
InChIKeyUIBSFYWQABTBIL-UHFFFAOYSA-N
XLogP2.33
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.41
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6-(4-benzoylpiperazin-1-yl)-2-(4-fluorophenyl)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

Related Compounds

6-(4-benzoyl-1,4-diazepan-1-yl)-2-phenylpyridazin-3-one
CID 53081404
6-[4-[3-(dimethylamino)benzoyl]piperazin-1-yl]-2-(4-fluorophenyl)pyridazin-3-one
CID 53081698
6-[4-(4-methylbenzoyl)piperazin-1-yl]-2-phenylpyridazin-3-one
CID 53081832
6-[4-(3-methylbenzoyl)piperazin-1-yl]-2-phenylpyridazin-3-one
CID 53081831
2-(3,4-dimethylphenyl)-6-[4-(4-fluorobenzoyl)-1,4-diazepan-1-yl]pyridazin-3-one
CID 53081364
2-phenyl-6-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridazin-3-one
CID 53081858
6-[4-(3-bromobenzoyl)piperazin-1-yl]-2-(4-chlorophenyl)pyridazin-3-one
CID 53081896
6-[4-(furan-2-carbonyl)piperazin-1-yl]-2-phenylpyridazin-3-one
CID 53081825
6-[4-(3-chlorobenzoyl)piperazin-1-yl]-2-(3,4-dimethylphenyl)pyridazin-3-one
CID 53081736
6-[4-(3,4-dimethoxybenzoyl)-1,4-diazepan-1-yl]-2-phenylpyridazin-3-one
CID 53081376
6-[4-(3-methoxybenzoyl)piperazin-1-yl]-2-(4-propan-2-ylphenyl)pyridazin-3-one
CID 53081989
6-[4-[3-(3,5-dimethylpyrazol-1-yl)propanoyl]piperazin-1-yl]-2-(4-fluorophenyl)pyridazin-3-one
CID 50789133

Frequently Asked Questions

What is the IUPAC name of 6-(4-benzoylpiperazin-1-yl)-2-(4-fluorophenyl)pyridazin-3-one?
The IUPAC name of 6-(4-benzoylpiperazin-1-yl)-2-(4-fluorophenyl)pyridazin-3-one (CID 53081727) is 6-(4-benzoylpiperazin-1-yl)-2-(4-fluorophenyl)pyridazin-3-one.
What is the SMILES notation for 6-(4-benzoylpiperazin-1-yl)-2-(4-fluorophenyl)pyridazin-3-one?
The canonical SMILES for 6-(4-benzoylpiperazin-1-yl)-2-(4-fluorophenyl)pyridazin-3-one is O=C(c1ccccc1)N1CCN(c2ccc(=O)n(-c3ccc(F)cc3)n2)CC1.
What is the InChIKey of 6-(4-benzoylpiperazin-1-yl)-2-(4-fluorophenyl)pyridazin-3-one?
The InChIKey is UIBSFYWQABTBIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN4O2/c22-17-6-8-18(9-7-17)26-20(27)11-10-19(23-26)24-12-14-25(15-13-24)21(28)16-4-2-1-3-5-16/h1-11H,12-15H2.
What are the key properties of 6-(4-benzoylpiperazin-1-yl)-2-(4-fluorophenyl)pyridazin-3-one?
6-(4-benzoylpiperazin-1-yl)-2-(4-fluorophenyl)pyridazin-3-one has a molecular weight of 378.41 g/mol, XLogP of 2.33, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-benzoylpiperazin-1-yl)-2-(4-fluorophenyl)pyridazin-3-one is sourced from PubChem (CID 53081727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).