4-(4-fluorophenyl)-2-(3-methylcyclopentyl)-5-(4-methylsulfonylphenyl)pyridazin-3-one

C23H23FN2O3S — CID 10180843

IUPAC4-(4-fluorophenyl)-2-(3-methylcyclopentyl)-5-(4-methylsulfonylphenyl)pyridazin-3-one
SMILESCC1CCC(n2ncc(-c3ccc(S(C)(=O)=O)cc3)c(-c3ccc(F)cc3)c2=O)C1
InChIInChI=1S/C23H23FN2O3S/c1-15-3-10-19(13-15)26-23(27)22(17-4-8-18(24)9-5-17)21(14-25-26)16-6-11-20(12-7-16)30(2,28)29/h4-9,11-12,14-15,19H,3,10,13H2,1-2H3
InChIKeyOWIFSQITKUBZAG-UHFFFAOYSA-N
MW426.51 g/mol
LogP4.48
Rot. Bonds4

About 4-(4-fluorophenyl)-2-(3-methylcyclopentyl)-5-(4-methylsulfonylphenyl)pyridazin-3-one

4-(4-fluorophenyl)-2-(3-methylcyclopentyl)-5-(4-methylsulfonylphenyl)pyridazin-3-one (PubChem CID 10180843) has the molecular formula C23H23FN2O3S and a molecular weight of 426.51 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-2-(3-methylcyclopentyl)-5-(4-methylsulfonylphenyl)pyridazin-3-one.

Molecular Properties

Compound Name4-(4-fluorophenyl)-2-(3-methylcyclopentyl)-5-(4-methylsulfonylphenyl)pyridazin-3-one
PubChem CID10180843
Molecular FormulaC23H23FN2O3S
Molecular Weight426.51 g/mol
Exact Mass426.14
IUPAC Name4-(4-fluorophenyl)-2-(3-methylcyclopentyl)-5-(4-methylsulfonylphenyl)pyridazin-3-one
SMILESCC1CCC(n2ncc(-c3ccc(S(C)(=O)=O)cc3)c(-c3ccc(F)cc3)c2=O)C1
InChIInChI=1S/C23H23FN2O3S/c1-15-3-10-19(13-15)26-23(27)22(17-4-8-18(24)9-5-17)21(14-25-26)16-6-11-20(12-7-16)30(2,28)29/h4-9,11-12,14-15,19H,3,10,13H2,1-2H3
InChIKeyOWIFSQITKUBZAG-UHFFFAOYSA-N
XLogP4.48
TPSA69.03 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.51
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-2-(3-methylcyclopentyl)-5-(4-methylsulfonylphenyl)pyridazin-3-one?
The IUPAC name of 4-(4-fluorophenyl)-2-(3-methylcyclopentyl)-5-(4-methylsulfonylphenyl)pyridazin-3-one (CID 10180843) is 4-(4-fluorophenyl)-2-(3-methylcyclopentyl)-5-(4-methylsulfonylphenyl)pyridazin-3-one.
What is the SMILES notation for 4-(4-fluorophenyl)-2-(3-methylcyclopentyl)-5-(4-methylsulfonylphenyl)pyridazin-3-one?
The canonical SMILES for 4-(4-fluorophenyl)-2-(3-methylcyclopentyl)-5-(4-methylsulfonylphenyl)pyridazin-3-one is CC1CCC(n2ncc(-c3ccc(S(C)(=O)=O)cc3)c(-c3ccc(F)cc3)c2=O)C1.
What is the InChIKey of 4-(4-fluorophenyl)-2-(3-methylcyclopentyl)-5-(4-methylsulfonylphenyl)pyridazin-3-one?
The InChIKey is OWIFSQITKUBZAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN2O3S/c1-15-3-10-19(13-15)26-23(27)22(17-4-8-18(24)9-5-17)21(14-25-26)16-6-11-20(12-7-16)30(2,28)29/h4-9,11-12,14-15,19H,3,10,13H2,1-2H3.
What are the key properties of 4-(4-fluorophenyl)-2-(3-methylcyclopentyl)-5-(4-methylsulfonylphenyl)pyridazin-3-one?
4-(4-fluorophenyl)-2-(3-methylcyclopentyl)-5-(4-methylsulfonylphenyl)pyridazin-3-one has a molecular weight of 426.51 g/mol, XLogP of 4.48, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-2-(3-methylcyclopentyl)-5-(4-methylsulfonylphenyl)pyridazin-3-one is sourced from PubChem (CID 10180843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).