5-[4-(3-fluorophenyl)-2-methylpiperazine-1-carbonyl]-3-methyl-1H-pyridazin-6-one

C17H19FN4O2 — CID 138046695

IUPAC5-[4-(3-fluorophenyl)-2-methylpiperazine-1-carbonyl]-3-methyl-1H-pyridazin-6-one
SMILESCc1cc(C(=O)N2CCN(c3cccc(F)c3)CC2C)c(=O)[nH]n1
InChIInChI=1S/C17H19FN4O2/c1-11-8-15(16(23)20-19-11)17(24)22-7-6-21(10-12(22)2)14-5-3-4-13(18)9-14/h3-5,8-9,12H,6-7,10H2,1-2H3,(H,20,23)
InChIKeyJLWVCNOJGKFRNG-UHFFFAOYSA-N
MW330.36 g/mol
LogP1.57
Rot. Bonds2

About 5-[4-(3-fluorophenyl)-2-methylpiperazine-1-carbonyl]-3-methyl-1H-pyridazin-6-one

5-[4-(3-fluorophenyl)-2-methylpiperazine-1-carbonyl]-3-methyl-1H-pyridazin-6-one (PubChem CID 138046695) has the molecular formula C17H19FN4O2 and a molecular weight of 330.36 g/mol. Its IUPAC name is 5-[4-(3-fluorophenyl)-2-methylpiperazine-1-carbonyl]-3-methyl-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-[4-(3-fluorophenyl)-2-methylpiperazine-1-carbonyl]-3-methyl-1H-pyridazin-6-one
PubChem CID138046695
Molecular FormulaC17H19FN4O2
Molecular Weight330.36 g/mol
Exact Mass330.15
IUPAC Name5-[4-(3-fluorophenyl)-2-methylpiperazine-1-carbonyl]-3-methyl-1H-pyridazin-6-one
SMILESCc1cc(C(=O)N2CCN(c3cccc(F)c3)CC2C)c(=O)[nH]n1
InChIInChI=1S/C17H19FN4O2/c1-11-8-15(16(23)20-19-11)17(24)22-7-6-21(10-12(22)2)14-5-3-4-13(18)9-14/h3-5,8-9,12H,6-7,10H2,1-2H3,(H,20,23)
InChIKeyJLWVCNOJGKFRNG-UHFFFAOYSA-N
XLogP1.57
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.36
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(3-fluorophenyl)-2-methylpiperazin-1-yl]-[1-(2-methoxyethyl)triazol-4-yl]methanone
CID 136548038
(3-hydroxy-2-methylphenyl)-[2-methyl-4-(4-methylphenyl)piperazin-1-yl]methanone
CID 70736458
3-(2-methyl-4-phenylpiperazine-1-carbonyl)chromen-2-one
CID 110741146
4-(4-isoquinolin-5-yl-2-methylpiperazine-1-carbonyl)-1,6-dimethyl-2H-pyrazolo[3,4-b]pyridin-3-one
CID 166234129
(2S)-4-(3-fluorophenyl)morpholine-2-carboxylic acid
CID 95804351
[2-methyl-4-(2-methylphenyl)piperazin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone
CID 70709461
4-(2-chlorobenzoyl)-1-(3-fluorophenyl)-3-methylpiperazin-2-one
CID 24716622
3-[(2S)-4-(4-methoxyphenyl)-2-methylpiperazine-1-carbonyl]-5,6,7,8-tetrahydro-1H-quinolin-2-one
CID 95876614
5-[4-(2-fluorophenyl)-2-methylpiperazine-1-carbonyl]-4-methoxy-1H-pyridin-2-one
CID 136564991
N-[(3S)-1-(3-fluorophenyl)piperidin-3-yl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide
CID 95980409
[1-(3-fluorophenyl)-1,2,4-triazol-3-yl]-[(3S)-3-methylpiperazin-1-yl]methanone
CID 86688316
N-[1-(3-fluorophenyl)pyrrolidin-3-yl]-2-methoxyacetamide
CID 110479175

Frequently Asked Questions

What is the IUPAC name of 5-[4-(3-fluorophenyl)-2-methylpiperazine-1-carbonyl]-3-methyl-1H-pyridazin-6-one?
The IUPAC name of 5-[4-(3-fluorophenyl)-2-methylpiperazine-1-carbonyl]-3-methyl-1H-pyridazin-6-one (CID 138046695) is 5-[4-(3-fluorophenyl)-2-methylpiperazine-1-carbonyl]-3-methyl-1H-pyridazin-6-one.
What is the SMILES notation for 5-[4-(3-fluorophenyl)-2-methylpiperazine-1-carbonyl]-3-methyl-1H-pyridazin-6-one?
The canonical SMILES for 5-[4-(3-fluorophenyl)-2-methylpiperazine-1-carbonyl]-3-methyl-1H-pyridazin-6-one is Cc1cc(C(=O)N2CCN(c3cccc(F)c3)CC2C)c(=O)[nH]n1.
What is the InChIKey of 5-[4-(3-fluorophenyl)-2-methylpiperazine-1-carbonyl]-3-methyl-1H-pyridazin-6-one?
The InChIKey is JLWVCNOJGKFRNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN4O2/c1-11-8-15(16(23)20-19-11)17(24)22-7-6-21(10-12(22)2)14-5-3-4-13(18)9-14/h3-5,8-9,12H,6-7,10H2,1-2H3,(H,20,23).
What are the key properties of 5-[4-(3-fluorophenyl)-2-methylpiperazine-1-carbonyl]-3-methyl-1H-pyridazin-6-one?
5-[4-(3-fluorophenyl)-2-methylpiperazine-1-carbonyl]-3-methyl-1H-pyridazin-6-one has a molecular weight of 330.36 g/mol, XLogP of 1.57, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(3-fluorophenyl)-2-methylpiperazine-1-carbonyl]-3-methyl-1H-pyridazin-6-one is sourced from PubChem (CID 138046695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).