2-(2,5-dimethylphenyl)-6-[4-(2-fluorophenyl)piperazine-1-carbonyl]-4,5-dihydropyridazin-3-one

C23H25FN4O2 — CID 4883772

IUPAC2-(2,5-dimethylphenyl)-6-[4-(2-fluorophenyl)piperazine-1-carbonyl]-4,5-dihydropyridazin-3-one
SMILESCc1ccc(C)c(N2N=C(C(=O)N3CCN(c4ccccc4F)CC3)CCC2=O)c1
InChIInChI=1S/C23H25FN4O2/c1-16-7-8-17(2)21(15-16)28-22(29)10-9-19(25-28)23(30)27-13-11-26(12-14-27)20-6-4-3-5-18(20)24/h3-8,15H,9-14H2,1-2H3
InChIKeySWVSVHAOXWTXGW-UHFFFAOYSA-N
MW408.48 g/mol
LogP3.27
Rot. Bonds3

About 2-(2,5-dimethylphenyl)-6-[4-(2-fluorophenyl)piperazine-1-carbonyl]-4,5-dihydropyridazin-3-one

2-(2,5-dimethylphenyl)-6-[4-(2-fluorophenyl)piperazine-1-carbonyl]-4,5-dihydropyridazin-3-one (PubChem CID 4883772) has the molecular formula C23H25FN4O2 and a molecular weight of 408.48 g/mol. Its IUPAC name is 2-(2,5-dimethylphenyl)-6-[4-(2-fluorophenyl)piperazine-1-carbonyl]-4,5-dihydropyridazin-3-one.

Molecular Properties

Compound Name2-(2,5-dimethylphenyl)-6-[4-(2-fluorophenyl)piperazine-1-carbonyl]-4,5-dihydropyridazin-3-one
PubChem CID4883772
Molecular FormulaC23H25FN4O2
Molecular Weight408.48 g/mol
Exact Mass408.20
IUPAC Name2-(2,5-dimethylphenyl)-6-[4-(2-fluorophenyl)piperazine-1-carbonyl]-4,5-dihydropyridazin-3-one
SMILESCc1ccc(C)c(N2N=C(C(=O)N3CCN(c4ccccc4F)CC3)CCC2=O)c1
InChIInChI=1S/C23H25FN4O2/c1-16-7-8-17(2)21(15-16)28-22(29)10-9-19(25-28)23(30)27-13-11-26(12-14-27)20-6-4-3-5-18(20)24/h3-8,15H,9-14H2,1-2H3
InChIKeySWVSVHAOXWTXGW-UHFFFAOYSA-N
XLogP3.27
TPSA56.22 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.48
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-[4-(2-fluorophenyl)piperazine-1-carbonyl]-2-phenyl-4,5-dihydropyridazin-3-one
CID 3779207
2-(2,5-dimethylphenyl)-6-(4-pyridin-2-ylpiperazine-1-carbonyl)-4,5-dihydropyridazin-3-one
CID 78768674
2-(2,5-dimethylphenyl)-6-[4-(2-methylpropanoyl)piperazine-1-carbonyl]-4,5-dihydropyridazin-3-one
CID 46601357
6-[4-(6-chloro-2-pyridinyl)piperazine-1-carbonyl]-2-(2,5-dimethylphenyl)-4,5-dihydropyridazin-3-one
CID 55877622
2-(2,5-dimethylphenyl)-6-[4-(3-nitrophenyl)piperazine-1-carbonyl]-4,5-dihydropyridazin-3-one
CID 55742980
1-[1-(2,5-dimethylphenyl)-6-oxo-4,5-dihydropyridazine-3-carbonyl]piperidine-4-carboxamide
CID 51159238
6-[4-(2,4-difluorophenoxy)piperidine-1-carbonyl]-2-(2,5-dimethylphenyl)-4,5-dihydropyridazin-3-one
CID 112836731
2-(2,5-dimethylphenyl)-6-[(3S)-3-methylpiperidine-1-carbonyl]-4,5-dihydropyridazin-3-one
CID 33234783
(2,4-dimethylphenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 925290
6-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]-2-(2-methylphenyl)-4,5-dihydropyridazin-3-one
CID 5135424
1-(2,5-dimethylphenyl)-N-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 51072519
6-[4-(4,6-dimethylpyrimidin-2-yl)piperazine-1-carbonyl]-2-(3-methylphenyl)-4,5-dihydropyridazin-3-one
CID 3292486

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylphenyl)-6-[4-(2-fluorophenyl)piperazine-1-carbonyl]-4,5-dihydropyridazin-3-one?
The IUPAC name of 2-(2,5-dimethylphenyl)-6-[4-(2-fluorophenyl)piperazine-1-carbonyl]-4,5-dihydropyridazin-3-one (CID 4883772) is 2-(2,5-dimethylphenyl)-6-[4-(2-fluorophenyl)piperazine-1-carbonyl]-4,5-dihydropyridazin-3-one.
What is the SMILES notation for 2-(2,5-dimethylphenyl)-6-[4-(2-fluorophenyl)piperazine-1-carbonyl]-4,5-dihydropyridazin-3-one?
The canonical SMILES for 2-(2,5-dimethylphenyl)-6-[4-(2-fluorophenyl)piperazine-1-carbonyl]-4,5-dihydropyridazin-3-one is Cc1ccc(C)c(N2N=C(C(=O)N3CCN(c4ccccc4F)CC3)CCC2=O)c1.
What is the InChIKey of 2-(2,5-dimethylphenyl)-6-[4-(2-fluorophenyl)piperazine-1-carbonyl]-4,5-dihydropyridazin-3-one?
The InChIKey is SWVSVHAOXWTXGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN4O2/c1-16-7-8-17(2)21(15-16)28-22(29)10-9-19(25-28)23(30)27-13-11-26(12-14-27)20-6-4-3-5-18(20)24/h3-8,15H,9-14H2,1-2H3.
What are the key properties of 2-(2,5-dimethylphenyl)-6-[4-(2-fluorophenyl)piperazine-1-carbonyl]-4,5-dihydropyridazin-3-one?
2-(2,5-dimethylphenyl)-6-[4-(2-fluorophenyl)piperazine-1-carbonyl]-4,5-dihydropyridazin-3-one has a molecular weight of 408.48 g/mol, XLogP of 3.27, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylphenyl)-6-[4-(2-fluorophenyl)piperazine-1-carbonyl]-4,5-dihydropyridazin-3-one is sourced from PubChem (CID 4883772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).