4-bromo-5-[4-(4-fluorobenzoyl)piperazin-1-yl]-2-methylpyridazin-3-one

C16H16BrFN4O2 — CID 133303260

IUPAC4-bromo-5-[4-(4-fluorobenzoyl)piperazin-1-yl]-2-methylpyridazin-3-one
SMILESCn1ncc(N2CCN(C(=O)c3ccc(F)cc3)CC2)c(Br)c1=O
InChIInChI=1S/C16H16BrFN4O2/c1-20-16(24)14(17)13(10-19-20)21-6-8-22(9-7-21)15(23)11-2-4-12(18)5-3-11/h2-5,10H,6-9H2,1H3
InChIKeyVKOQOLFYKLTWHT-UHFFFAOYSA-N
MW395.23 g/mol
LogP1.64
Rot. Bonds2

About 4-bromo-5-[4-(4-fluorobenzoyl)piperazin-1-yl]-2-methylpyridazin-3-one

4-bromo-5-[4-(4-fluorobenzoyl)piperazin-1-yl]-2-methylpyridazin-3-one (PubChem CID 133303260) has the molecular formula C16H16BrFN4O2 and a molecular weight of 395.23 g/mol. Its IUPAC name is 4-bromo-5-[4-(4-fluorobenzoyl)piperazin-1-yl]-2-methylpyridazin-3-one.

Molecular Properties

Compound Name4-bromo-5-[4-(4-fluorobenzoyl)piperazin-1-yl]-2-methylpyridazin-3-one
PubChem CID133303260
Molecular FormulaC16H16BrFN4O2
Molecular Weight395.23 g/mol
Exact Mass394.04
IUPAC Name4-bromo-5-[4-(4-fluorobenzoyl)piperazin-1-yl]-2-methylpyridazin-3-one
SMILESCn1ncc(N2CCN(C(=O)c3ccc(F)cc3)CC2)c(Br)c1=O
InChIInChI=1S/C16H16BrFN4O2/c1-20-16(24)14(17)13(10-19-20)21-6-8-22(9-7-21)15(23)11-2-4-12(18)5-3-11/h2-5,10H,6-9H2,1H3
InChIKeyVKOQOLFYKLTWHT-UHFFFAOYSA-N
XLogP1.64
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.23
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-bromo-2-methyl-5-[4-(pyridine-4-carbonyl)-1,4-diazepan-1-yl]pyridazin-3-one
CID 133303451
4-bromo-5-[4-(2-fluorobenzoyl)piperazin-1-yl]-2-methylpyridazin-3-one
CID 133303219
4-bromo-5-[4-(3-methoxy-4-methylbenzoyl)piperazin-1-yl]-2-methylpyridazin-3-one
CID 133303607
4-bromo-5-[4-(3-methoxybenzoyl)piperazin-1-yl]-2-methylpyridazin-3-one
CID 133303256
1-[4-(5-bromo-1-methyl-6-oxopyridazin-4-yl)piperazin-1-yl]-2-pyrrolidin-1-ylethane-1,2-dione
CID 133303562
4-bromo-5-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]-2-methylpyridazin-3-one
CID 133303289
[4-(2-bromo-4-methylphenyl)piperazin-1-yl]-(4-fluorophenyl)methanone
CID 113079474
(4-fluorophenyl)-[4-(2-propan-2-ylphenyl)piperazin-1-yl]methanone
CID 113076086
[4-(2-tert-butylphenyl)piperazin-1-yl]-(4-fluorophenyl)methanone
CID 66792715
4-bromo-2-methyl-5-[[4-(piperidine-1-carbonyl)phenyl]methylamino]pyridazin-3-one
CID 133303079
5-(4-fluorophenoxy)-2-methyl-4-[4-(4-methylpiperazine-1-carbonyl)anilino]pyridazin-3-one
CID 42832695
4-[4-(4-acetylpiperazine-1-carbonyl)anilino]-5-(4-fluorophenoxy)-2-methylpyridazin-3-one
CID 42832694

Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-[4-(4-fluorobenzoyl)piperazin-1-yl]-2-methylpyridazin-3-one?
The IUPAC name of 4-bromo-5-[4-(4-fluorobenzoyl)piperazin-1-yl]-2-methylpyridazin-3-one (CID 133303260) is 4-bromo-5-[4-(4-fluorobenzoyl)piperazin-1-yl]-2-methylpyridazin-3-one.
What is the SMILES notation for 4-bromo-5-[4-(4-fluorobenzoyl)piperazin-1-yl]-2-methylpyridazin-3-one?
The canonical SMILES for 4-bromo-5-[4-(4-fluorobenzoyl)piperazin-1-yl]-2-methylpyridazin-3-one is Cn1ncc(N2CCN(C(=O)c3ccc(F)cc3)CC2)c(Br)c1=O.
What is the InChIKey of 4-bromo-5-[4-(4-fluorobenzoyl)piperazin-1-yl]-2-methylpyridazin-3-one?
The InChIKey is VKOQOLFYKLTWHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrFN4O2/c1-20-16(24)14(17)13(10-19-20)21-6-8-22(9-7-21)15(23)11-2-4-12(18)5-3-11/h2-5,10H,6-9H2,1H3.
What are the key properties of 4-bromo-5-[4-(4-fluorobenzoyl)piperazin-1-yl]-2-methylpyridazin-3-one?
4-bromo-5-[4-(4-fluorobenzoyl)piperazin-1-yl]-2-methylpyridazin-3-one has a molecular weight of 395.23 g/mol, XLogP of 1.64, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-[4-(4-fluorobenzoyl)piperazin-1-yl]-2-methylpyridazin-3-one is sourced from PubChem (CID 133303260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).