4-[[4-[4-(4-fluorophenyl)-4-oxobutyl]piperazin-1-yl]methyl]-3-phenyl-4,5-dihydro-1H-pyridazin-6-one

C25H29FN4O2 — CID 16738128

IUPAC4-[[4-[4-(4-fluorophenyl)-4-oxobutyl]piperazin-1-yl]methyl]-3-phenyl-4,5-dihydro-1H-pyridazin-6-one
SMILESO=C1CC(CN2CCN(CCCC(=O)c3ccc(F)cc3)CC2)C(c2ccccc2)=NN1
InChIInChI=1S/C25H29FN4O2/c26-22-10-8-19(9-11-22)23(31)7-4-12-29-13-15-30(16-14-29)18-21-17-24(32)27-28-25(21)20-5-2-1-3-6-20/h1-3,5-6,8-11,21H,4,7,12-18H2,(H,27,32)
InChIKeyCCMZORNFIBAFSX-UHFFFAOYSA-N
MW436.53 g/mol
LogP2.95
Rot. Bonds8

About 4-[[4-[4-(4-fluorophenyl)-4-oxobutyl]piperazin-1-yl]methyl]-3-phenyl-4,5-dihydro-1H-pyridazin-6-one

4-[[4-[4-(4-fluorophenyl)-4-oxobutyl]piperazin-1-yl]methyl]-3-phenyl-4,5-dihydro-1H-pyridazin-6-one (PubChem CID 16738128) has the molecular formula C25H29FN4O2 and a molecular weight of 436.53 g/mol. Its IUPAC name is 4-[[4-[4-(4-fluorophenyl)-4-oxobutyl]piperazin-1-yl]methyl]-3-phenyl-4,5-dihydro-1H-pyridazin-6-one.

Molecular Properties

Compound Name4-[[4-[4-(4-fluorophenyl)-4-oxobutyl]piperazin-1-yl]methyl]-3-phenyl-4,5-dihydro-1H-pyridazin-6-one
PubChem CID16738128
Molecular FormulaC25H29FN4O2
Molecular Weight436.53 g/mol
Exact Mass436.23
IUPAC Name4-[[4-[4-(4-fluorophenyl)-4-oxobutyl]piperazin-1-yl]methyl]-3-phenyl-4,5-dihydro-1H-pyridazin-6-one
SMILESO=C1CC(CN2CCN(CCCC(=O)c3ccc(F)cc3)CC2)C(c2ccccc2)=NN1
InChIInChI=1S/C25H29FN4O2/c26-22-10-8-19(9-11-22)23(31)7-4-12-29-13-15-30(16-14-29)18-21-17-24(32)27-28-25(21)20-5-2-1-3-6-20/h1-3,5-6,8-11,21H,4,7,12-18H2,(H,27,32)
InChIKeyCCMZORNFIBAFSX-UHFFFAOYSA-N
XLogP2.95
TPSA65.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.53
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[4-[4-(4-fluorophenyl)-4-oxobutyl]piperazin-1-yl]methyl]-2,3-dihydroinden-1-one;hydrochloride
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1-(4-fluorophenyl)-4-(4-hydroxypiperidin-1-yl)butan-1-one;hydrochloride
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1-(4-fluorophenyl)-4-(4-hydroxy-4-phenylpiperidin-1-yl)butan-1-one;hydrochloride
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3-[4-[4-(4-fluorophenyl)-4-oxobutyl]piperazin-1-yl]-1-phenylisoquinoline-4-carbaldehyde
CID 21162101
1,1'-biphenyl;4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-(4-fluorophenyl)butan-1-one
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4-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-1-(4-fluorophenyl)butan-1-one;hydrochloride
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2-[[4-[4-(4-fluorophenyl)-4-oxobutyl]piperazin-1-yl]methyl]chromen-4-one
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4-[4-[(1-benzylbenzimidazol-2-yl)amino]piperidin-1-yl]-1-(4-fluorophenyl)butan-1-one
CID 12891552
4-(3,4,6,7,12,12a-hexahydro-1H-pyrazino[2,1-b][3]benzazepin-2-yl)-1-(4-fluorophenyl)butan-1-one;dihydrochloride
CID 3045199

Frequently Asked Questions

What is the IUPAC name of 4-[[4-[4-(4-fluorophenyl)-4-oxobutyl]piperazin-1-yl]methyl]-3-phenyl-4,5-dihydro-1H-pyridazin-6-one?
The IUPAC name of 4-[[4-[4-(4-fluorophenyl)-4-oxobutyl]piperazin-1-yl]methyl]-3-phenyl-4,5-dihydro-1H-pyridazin-6-one (CID 16738128) is 4-[[4-[4-(4-fluorophenyl)-4-oxobutyl]piperazin-1-yl]methyl]-3-phenyl-4,5-dihydro-1H-pyridazin-6-one.
What is the SMILES notation for 4-[[4-[4-(4-fluorophenyl)-4-oxobutyl]piperazin-1-yl]methyl]-3-phenyl-4,5-dihydro-1H-pyridazin-6-one?
The canonical SMILES for 4-[[4-[4-(4-fluorophenyl)-4-oxobutyl]piperazin-1-yl]methyl]-3-phenyl-4,5-dihydro-1H-pyridazin-6-one is O=C1CC(CN2CCN(CCCC(=O)c3ccc(F)cc3)CC2)C(c2ccccc2)=NN1.
What is the InChIKey of 4-[[4-[4-(4-fluorophenyl)-4-oxobutyl]piperazin-1-yl]methyl]-3-phenyl-4,5-dihydro-1H-pyridazin-6-one?
The InChIKey is CCMZORNFIBAFSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29FN4O2/c26-22-10-8-19(9-11-22)23(31)7-4-12-29-13-15-30(16-14-29)18-21-17-24(32)27-28-25(21)20-5-2-1-3-6-20/h1-3,5-6,8-11,21H,4,7,12-18H2,(H,27,32).
What are the key properties of 4-[[4-[4-(4-fluorophenyl)-4-oxobutyl]piperazin-1-yl]methyl]-3-phenyl-4,5-dihydro-1H-pyridazin-6-one?
4-[[4-[4-(4-fluorophenyl)-4-oxobutyl]piperazin-1-yl]methyl]-3-phenyl-4,5-dihydro-1H-pyridazin-6-one has a molecular weight of 436.53 g/mol, XLogP of 2.95, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[4-(4-fluorophenyl)-4-oxobutyl]piperazin-1-yl]methyl]-3-phenyl-4,5-dihydro-1H-pyridazin-6-one is sourced from PubChem (CID 16738128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).