6-[4-(3-fluoro-4-methylbenzoyl)piperazine-1-carbonyl]-2-propylpyridazin-3-one

C20H23FN4O3 — CID 55879910

IUPAC6-[4-(3-fluoro-4-methylbenzoyl)piperazine-1-carbonyl]-2-propylpyridazin-3-one
SMILESCCCn1nc(C(=O)N2CCN(C(=O)c3ccc(C)c(F)c3)CC2)ccc1=O
InChIInChI=1S/C20H23FN4O3/c1-3-8-25-18(26)7-6-17(22-25)20(28)24-11-9-23(10-12-24)19(27)15-5-4-14(2)16(21)13-15/h4-7,13H,3,8-12H2,1-2H3
InChIKeyIZNLCINCVZCBMB-UHFFFAOYSA-N
MW386.43 g/mol
LogP1.70
Rot. Bonds4

About 6-[4-(3-fluoro-4-methylbenzoyl)piperazine-1-carbonyl]-2-propylpyridazin-3-one

6-[4-(3-fluoro-4-methylbenzoyl)piperazine-1-carbonyl]-2-propylpyridazin-3-one (PubChem CID 55879910) has the molecular formula C20H23FN4O3 and a molecular weight of 386.43 g/mol. Its IUPAC name is 6-[4-(3-fluoro-4-methylbenzoyl)piperazine-1-carbonyl]-2-propylpyridazin-3-one.

Molecular Properties

Compound Name6-[4-(3-fluoro-4-methylbenzoyl)piperazine-1-carbonyl]-2-propylpyridazin-3-one
PubChem CID55879910
Molecular FormulaC20H23FN4O3
Molecular Weight386.43 g/mol
Exact Mass386.18
IUPAC Name6-[4-(3-fluoro-4-methylbenzoyl)piperazine-1-carbonyl]-2-propylpyridazin-3-one
SMILESCCCn1nc(C(=O)N2CCN(C(=O)c3ccc(C)c(F)c3)CC2)ccc1=O
InChIInChI=1S/C20H23FN4O3/c1-3-8-25-18(26)7-6-17(22-25)20(28)24-11-9-23(10-12-24)19(27)15-5-4-14(2)16(21)13-15/h4-7,13H,3,8-12H2,1-2H3
InChIKeyIZNLCINCVZCBMB-UHFFFAOYSA-N
XLogP1.70
TPSA75.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.43
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6-[4-(3-fluoro-4-methylbenzoyl)piperazine-1-carbonyl]-2-propylpyridazin-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

2-butyl-6-[4-(furan-3-carbonyl)piperazine-1-carbonyl]pyridazin-3-one
CID 32530099
6-(3-hydroxyazetidine-1-carbonyl)-2-propylpyridazin-3-one
CID 63106592
2-propyl-6-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]pyridazin-3-one
CID 42162110
[4-(2-bromoethyl)piperazin-1-yl]-(3-fluoro-4-methylphenyl)methanone
CID 80660633
(3-fluoro-4-methylphenyl)-[4-[1-(2-fluorophenyl)pyrazole-3-carbonyl]piperazin-1-yl]methanone
CID 55879541
6-(4-benzoylpiperidine-1-carbonyl)-2-propylpyridazin-3-one
CID 18143303
6-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]-2-ethylpyridazin-3-one
CID 121066902
1-[2-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]ethyl]pyrrolidine-2,5-dione
CID 60505637
(3-bromophenyl)-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]methanone
CID 55878769
6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-propylpyridazin-3-one
CID 38209008
N-(2,3-dimethylphenyl)-2-[4-(6-oxo-1-propylpyridazine-3-carbonyl)piperazin-1-yl]acetamide
CID 55364389
(3-fluoro-4-methylphenyl)-[4-(5-hydroxypentyl)piperazin-1-yl]methanone
CID 110923840

Frequently Asked Questions

What is the IUPAC name of 6-[4-(3-fluoro-4-methylbenzoyl)piperazine-1-carbonyl]-2-propylpyridazin-3-one?
The IUPAC name of 6-[4-(3-fluoro-4-methylbenzoyl)piperazine-1-carbonyl]-2-propylpyridazin-3-one (CID 55879910) is 6-[4-(3-fluoro-4-methylbenzoyl)piperazine-1-carbonyl]-2-propylpyridazin-3-one.
What is the SMILES notation for 6-[4-(3-fluoro-4-methylbenzoyl)piperazine-1-carbonyl]-2-propylpyridazin-3-one?
The canonical SMILES for 6-[4-(3-fluoro-4-methylbenzoyl)piperazine-1-carbonyl]-2-propylpyridazin-3-one is CCCn1nc(C(=O)N2CCN(C(=O)c3ccc(C)c(F)c3)CC2)ccc1=O.
What is the InChIKey of 6-[4-(3-fluoro-4-methylbenzoyl)piperazine-1-carbonyl]-2-propylpyridazin-3-one?
The InChIKey is IZNLCINCVZCBMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN4O3/c1-3-8-25-18(26)7-6-17(22-25)20(28)24-11-9-23(10-12-24)19(27)15-5-4-14(2)16(21)13-15/h4-7,13H,3,8-12H2,1-2H3.
What are the key properties of 6-[4-(3-fluoro-4-methylbenzoyl)piperazine-1-carbonyl]-2-propylpyridazin-3-one?
6-[4-(3-fluoro-4-methylbenzoyl)piperazine-1-carbonyl]-2-propylpyridazin-3-one has a molecular weight of 386.43 g/mol, XLogP of 1.70, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(3-fluoro-4-methylbenzoyl)piperazine-1-carbonyl]-2-propylpyridazin-3-one is sourced from PubChem (CID 55879910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).