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

C23H25FN4O2 — CID 5135424

IUPAC6-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]-2-(2-methylphenyl)-4,5-dihydropyridazin-3-one
SMILESCc1ccccc1N1N=C(C(=O)N2CCN(Cc3ccc(F)cc3)CC2)CCC1=O
InChIInChI=1S/C23H25FN4O2/c1-17-4-2-3-5-21(17)28-22(29)11-10-20(25-28)23(30)27-14-12-26(13-15-27)16-18-6-8-19(24)9-7-18/h2-9H,10-16H2,1H3
InChIKeyNZKYXVNOPWEZPV-UHFFFAOYSA-N
MW408.48 g/mol
LogP2.96
Rot. Bonds4

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

6-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]-2-(2-methylphenyl)-4,5-dihydropyridazin-3-one (PubChem CID 5135424) has the molecular formula C23H25FN4O2 and a molecular weight of 408.48 g/mol. Its IUPAC name is 6-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]-2-(2-methylphenyl)-4,5-dihydropyridazin-3-one.

Molecular Properties

Compound Name6-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]-2-(2-methylphenyl)-4,5-dihydropyridazin-3-one
PubChem CID5135424
Molecular FormulaC23H25FN4O2
Molecular Weight408.48 g/mol
Exact Mass408.20
IUPAC Name6-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]-2-(2-methylphenyl)-4,5-dihydropyridazin-3-one
SMILESCc1ccccc1N1N=C(C(=O)N2CCN(Cc3ccc(F)cc3)CC2)CCC1=O
InChIInChI=1S/C23H25FN4O2/c1-17-4-2-3-5-21(17)28-22(29)11-10-20(25-28)23(30)27-14-12-26(13-15-27)16-18-6-8-19(24)9-7-18/h2-9H,10-16H2,1H3
InChIKeyNZKYXVNOPWEZPV-UHFFFAOYSA-N
XLogP2.96
TPSA56.22 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.48
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]-2-(2-methylphenyl)-4,5-dihydropyridazin-3-one with MolForge

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Related Compounds

2-(2-methylphenyl)-6-(4-methylpiperazine-1-carbonyl)-4,5-dihydropyridazin-3-one
CID 947747
6-(4-benzylpiperazine-1-carbonyl)-2-(3-methylphenyl)-4,5-dihydropyridazin-3-one
CID 3978494
2-(2,5-dimethylphenyl)-6-[4-(2-fluorophenyl)piperazine-1-carbonyl]-4,5-dihydropyridazin-3-one
CID 4883772
6-[4-[2-(dimethylamino)ethyl]piperazine-1-carbonyl]-2-[(4-fluorophenyl)methyl]-4,5-dihydropyridazin-3-one
CID 51117581
1-[(4-fluorophenyl)methyl]-4-(2-methylphenyl)piperazine
CID 1377218
6-[4-[(2,4-dimethylphenyl)methyl]piperazine-1-carbonyl]-2-(4-methylphenyl)-4,5-dihydropyridazin-3-one
CID 3639597
2-[(4-fluorophenyl)methyl]-6-[4-[2-(trifluoromethyl)benzoyl]piperazine-1-carbonyl]-4,5-dihydropyridazin-3-one
CID 55912944
2-(2-methylphenyl)-6-[(2S)-2-methylpiperidine-1-carbonyl]-4,5-dihydropyridazin-3-one
CID 945526
1-(2,5-dimethylphenyl)-N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 55839935
2-(2,5-dimethylphenyl)-6-[4-(2-methylpropanoyl)piperazine-1-carbonyl]-4,5-dihydropyridazin-3-one
CID 46601357
2-[(4-fluorophenyl)methyl]-6-[4-(4-hydroxyphenyl)piperazine-1-carbonyl]-4,5-dihydropyridazin-3-one
CID 112834252
3-(4-benzylpiperazine-1-carbonyl)-4,5-dihydro-1H-pyridazin-6-one
CID 110757174

Frequently Asked Questions

What is the IUPAC name of 6-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]-2-(2-methylphenyl)-4,5-dihydropyridazin-3-one?
The IUPAC name of 6-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]-2-(2-methylphenyl)-4,5-dihydropyridazin-3-one (CID 5135424) is 6-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]-2-(2-methylphenyl)-4,5-dihydropyridazin-3-one.
What is the SMILES notation for 6-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]-2-(2-methylphenyl)-4,5-dihydropyridazin-3-one?
The canonical SMILES for 6-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]-2-(2-methylphenyl)-4,5-dihydropyridazin-3-one is Cc1ccccc1N1N=C(C(=O)N2CCN(Cc3ccc(F)cc3)CC2)CCC1=O.
What is the InChIKey of 6-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]-2-(2-methylphenyl)-4,5-dihydropyridazin-3-one?
The InChIKey is NZKYXVNOPWEZPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN4O2/c1-17-4-2-3-5-21(17)28-22(29)11-10-20(25-28)23(30)27-14-12-26(13-15-27)16-18-6-8-19(24)9-7-18/h2-9H,10-16H2,1H3.
What are the key properties of 6-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]-2-(2-methylphenyl)-4,5-dihydropyridazin-3-one?
6-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]-2-(2-methylphenyl)-4,5-dihydropyridazin-3-one has a molecular weight of 408.48 g/mol, XLogP of 2.96, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]-2-(2-methylphenyl)-4,5-dihydropyridazin-3-one is sourced from PubChem (CID 5135424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).