2-[2-(4-fluorophenyl)-5-(4-methylsulfanylphenyl)piperidin-4-yl]pyridazin-3-one

C22H22FN3OS — CID 141026640

IUPAC2-[2-(4-fluorophenyl)-5-(4-methylsulfanylphenyl)piperidin-4-yl]pyridazin-3-one
SMILESCSc1ccc(C2CNC(c3ccc(F)cc3)CC2n2ncccc2=O)cc1
InChIInChI=1S/C22H22FN3OS/c1-28-18-10-6-15(7-11-18)19-14-24-20(16-4-8-17(23)9-5-16)13-21(19)26-22(27)3-2-12-25-26/h2-12,19-21,24H,13-14H2,1H3
InChIKeyOGIDPZOQXQWMTL-UHFFFAOYSA-N
MW395.50 g/mol
LogP4.16
Rot. Bonds4

About 2-[2-(4-fluorophenyl)-5-(4-methylsulfanylphenyl)piperidin-4-yl]pyridazin-3-one

2-[2-(4-fluorophenyl)-5-(4-methylsulfanylphenyl)piperidin-4-yl]pyridazin-3-one (PubChem CID 141026640) has the molecular formula C22H22FN3OS and a molecular weight of 395.50 g/mol. Its IUPAC name is 2-[2-(4-fluorophenyl)-5-(4-methylsulfanylphenyl)piperidin-4-yl]pyridazin-3-one.

Molecular Properties

Compound Name2-[2-(4-fluorophenyl)-5-(4-methylsulfanylphenyl)piperidin-4-yl]pyridazin-3-one
PubChem CID141026640
Molecular FormulaC22H22FN3OS
Molecular Weight395.50 g/mol
Exact Mass395.15
IUPAC Name2-[2-(4-fluorophenyl)-5-(4-methylsulfanylphenyl)piperidin-4-yl]pyridazin-3-one
SMILESCSc1ccc(C2CNC(c3ccc(F)cc3)CC2n2ncccc2=O)cc1
InChIInChI=1S/C22H22FN3OS/c1-28-18-10-6-15(7-11-18)19-14-24-20(16-4-8-17(23)9-5-16)13-21(19)26-22(27)3-2-12-25-26/h2-12,19-21,24H,13-14H2,1H3
InChIKeyOGIDPZOQXQWMTL-UHFFFAOYSA-N
XLogP4.16
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.50
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[2-(4-fluorophenyl)-5-(4-methylsulfanylphenyl)piperidin-4-yl]pyridazin-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

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-fluorophenyl)-5-(4-methylsulfanylphenyl)piperidin-4-yl]pyridazin-3-one?
The IUPAC name of 2-[2-(4-fluorophenyl)-5-(4-methylsulfanylphenyl)piperidin-4-yl]pyridazin-3-one (CID 141026640) is 2-[2-(4-fluorophenyl)-5-(4-methylsulfanylphenyl)piperidin-4-yl]pyridazin-3-one.
What is the SMILES notation for 2-[2-(4-fluorophenyl)-5-(4-methylsulfanylphenyl)piperidin-4-yl]pyridazin-3-one?
The canonical SMILES for 2-[2-(4-fluorophenyl)-5-(4-methylsulfanylphenyl)piperidin-4-yl]pyridazin-3-one is CSc1ccc(C2CNC(c3ccc(F)cc3)CC2n2ncccc2=O)cc1.
What is the InChIKey of 2-[2-(4-fluorophenyl)-5-(4-methylsulfanylphenyl)piperidin-4-yl]pyridazin-3-one?
The InChIKey is OGIDPZOQXQWMTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN3OS/c1-28-18-10-6-15(7-11-18)19-14-24-20(16-4-8-17(23)9-5-16)13-21(19)26-22(27)3-2-12-25-26/h2-12,19-21,24H,13-14H2,1H3.
What are the key properties of 2-[2-(4-fluorophenyl)-5-(4-methylsulfanylphenyl)piperidin-4-yl]pyridazin-3-one?
2-[2-(4-fluorophenyl)-5-(4-methylsulfanylphenyl)piperidin-4-yl]pyridazin-3-one has a molecular weight of 395.50 g/mol, XLogP of 4.16, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-fluorophenyl)-5-(4-methylsulfanylphenyl)piperidin-4-yl]pyridazin-3-one is sourced from PubChem (CID 141026640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).