6-[4-(3-bromobenzoyl)piperazin-1-yl]-2-(4-chlorophenyl)pyridazin-3-one

C21H18BrClN4O2 — CID 53081896

IUPAC6-[4-(3-bromobenzoyl)piperazin-1-yl]-2-(4-chlorophenyl)pyridazin-3-one
SMILESO=C(c1cccc(Br)c1)N1CCN(c2ccc(=O)n(-c3ccc(Cl)cc3)n2)CC1
InChIInChI=1S/C21H18BrClN4O2/c22-16-3-1-2-15(14-16)21(29)26-12-10-25(11-13-26)19-8-9-20(28)27(24-19)18-6-4-17(23)5-7-18/h1-9,14H,10-13H2
InChIKeyIEWCUSDGAWXOBB-UHFFFAOYSA-N
MW473.76 g/mol
LogP3.61
Rot. Bonds3

About 6-[4-(3-bromobenzoyl)piperazin-1-yl]-2-(4-chlorophenyl)pyridazin-3-one

6-[4-(3-bromobenzoyl)piperazin-1-yl]-2-(4-chlorophenyl)pyridazin-3-one (PubChem CID 53081896) has the molecular formula C21H18BrClN4O2 and a molecular weight of 473.76 g/mol. Its IUPAC name is 6-[4-(3-bromobenzoyl)piperazin-1-yl]-2-(4-chlorophenyl)pyridazin-3-one.

Molecular Properties

Compound Name6-[4-(3-bromobenzoyl)piperazin-1-yl]-2-(4-chlorophenyl)pyridazin-3-one
PubChem CID53081896
Molecular FormulaC21H18BrClN4O2
Molecular Weight473.76 g/mol
Exact Mass472.03
IUPAC Name6-[4-(3-bromobenzoyl)piperazin-1-yl]-2-(4-chlorophenyl)pyridazin-3-one
SMILESO=C(c1cccc(Br)c1)N1CCN(c2ccc(=O)n(-c3ccc(Cl)cc3)n2)CC1
InChIInChI=1S/C21H18BrClN4O2/c22-16-3-1-2-15(14-16)21(29)26-12-10-25(11-13-26)19-8-9-20(28)27(24-19)18-6-4-17(23)5-7-18/h1-9,14H,10-13H2
InChIKeyIEWCUSDGAWXOBB-UHFFFAOYSA-N
XLogP3.61
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.76
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-[4-(3-chlorobenzoyl)piperazin-1-yl]-2-(3,4-dimethylphenyl)pyridazin-3-one
CID 53081736
2-(4-chlorophenyl)-6-[4-(3,4-diethoxybenzoyl)piperazin-1-yl]pyridazin-3-one
CID 53081894
6-[4-(3-methylbenzoyl)piperazin-1-yl]-2-phenylpyridazin-3-one
CID 53081831
6-(4-benzoylpiperazin-1-yl)-2-(4-fluorophenyl)pyridazin-3-one
CID 53081727
6-[4-(3-methoxybenzoyl)piperazin-1-yl]-2-(4-propan-2-ylphenyl)pyridazin-3-one
CID 53081989
6-[4-[3-(dimethylamino)benzoyl]piperazin-1-yl]-2-(4-fluorophenyl)pyridazin-3-one
CID 53081698
(3-bromophenyl)-[4-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]piperazin-1-yl]methanone
CID 75527324
6-(4-benzoyl-1,4-diazepan-1-yl)-2-phenylpyridazin-3-one
CID 53081404
2-(4-chlorophenyl)-6-[4-(4,5,6,7-tetrahydro-1H-indazole-3-carbonyl)piperazin-1-yl]pyridazin-3-one
CID 53081900
6-[4-[3-(dimethylamino)benzoyl]piperazin-1-yl]-2-(3,4-dimethylphenyl)pyridazin-3-one
CID 53081733
2-(4-chlorophenyl)-6-[4-(3-methylbutanoyl)piperazin-1-yl]pyridazin-3-one
CID 53081890
6-[4-(4-methylbenzoyl)piperazin-1-yl]-2-phenylpyridazin-3-one
CID 53081832

Frequently Asked Questions

What is the IUPAC name of 6-[4-(3-bromobenzoyl)piperazin-1-yl]-2-(4-chlorophenyl)pyridazin-3-one?
The IUPAC name of 6-[4-(3-bromobenzoyl)piperazin-1-yl]-2-(4-chlorophenyl)pyridazin-3-one (CID 53081896) is 6-[4-(3-bromobenzoyl)piperazin-1-yl]-2-(4-chlorophenyl)pyridazin-3-one.
What is the SMILES notation for 6-[4-(3-bromobenzoyl)piperazin-1-yl]-2-(4-chlorophenyl)pyridazin-3-one?
The canonical SMILES for 6-[4-(3-bromobenzoyl)piperazin-1-yl]-2-(4-chlorophenyl)pyridazin-3-one is O=C(c1cccc(Br)c1)N1CCN(c2ccc(=O)n(-c3ccc(Cl)cc3)n2)CC1.
What is the InChIKey of 6-[4-(3-bromobenzoyl)piperazin-1-yl]-2-(4-chlorophenyl)pyridazin-3-one?
The InChIKey is IEWCUSDGAWXOBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18BrClN4O2/c22-16-3-1-2-15(14-16)21(29)26-12-10-25(11-13-26)19-8-9-20(28)27(24-19)18-6-4-17(23)5-7-18/h1-9,14H,10-13H2.
What are the key properties of 6-[4-(3-bromobenzoyl)piperazin-1-yl]-2-(4-chlorophenyl)pyridazin-3-one?
6-[4-(3-bromobenzoyl)piperazin-1-yl]-2-(4-chlorophenyl)pyridazin-3-one has a molecular weight of 473.76 g/mol, XLogP of 3.61, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(3-bromobenzoyl)piperazin-1-yl]-2-(4-chlorophenyl)pyridazin-3-one is sourced from PubChem (CID 53081896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).