4-(4-fluorophenyl)-2-(1-methylcyclopentyl)-5-(4-methylsulfonylphenyl)pyridazin-3-one

C23H23FN2O3S — CID 10296055

IUPAC4-(4-fluorophenyl)-2-(1-methylcyclopentyl)-5-(4-methylsulfonylphenyl)pyridazin-3-one
SMILESCC1(n2ncc(-c3ccc(S(C)(=O)=O)cc3)c(-c3ccc(F)cc3)c2=O)CCCC1
InChIInChI=1S/C23H23FN2O3S/c1-23(13-3-4-14-23)26-22(27)21(17-5-9-18(24)10-6-17)20(15-25-26)16-7-11-19(12-8-16)30(2,28)29/h5-12,15H,3-4,13-14H2,1-2H3
InChIKeyMWNUZQYQYSIBLS-UHFFFAOYSA-N
MW426.51 g/mol
LogP4.41
Rot. Bonds4

About 4-(4-fluorophenyl)-2-(1-methylcyclopentyl)-5-(4-methylsulfonylphenyl)pyridazin-3-one

4-(4-fluorophenyl)-2-(1-methylcyclopentyl)-5-(4-methylsulfonylphenyl)pyridazin-3-one (PubChem CID 10296055) has the molecular formula C23H23FN2O3S and a molecular weight of 426.51 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-2-(1-methylcyclopentyl)-5-(4-methylsulfonylphenyl)pyridazin-3-one.

Molecular Properties

Compound Name4-(4-fluorophenyl)-2-(1-methylcyclopentyl)-5-(4-methylsulfonylphenyl)pyridazin-3-one
PubChem CID10296055
Molecular FormulaC23H23FN2O3S
Molecular Weight426.51 g/mol
Exact Mass426.14
IUPAC Name4-(4-fluorophenyl)-2-(1-methylcyclopentyl)-5-(4-methylsulfonylphenyl)pyridazin-3-one
SMILESCC1(n2ncc(-c3ccc(S(C)(=O)=O)cc3)c(-c3ccc(F)cc3)c2=O)CCCC1
InChIInChI=1S/C23H23FN2O3S/c1-23(13-3-4-14-23)26-22(27)21(17-5-9-18(24)10-6-17)20(15-25-26)16-7-11-19(12-8-16)30(2,28)29/h5-12,15H,3-4,13-14H2,1-2H3
InChIKeyMWNUZQYQYSIBLS-UHFFFAOYSA-N
XLogP4.41
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 ≤ 54.41
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-(1-methylcyclopentyl)-5-(4-methylsulfonylphenyl)pyridazin-3-one?
The IUPAC name of 4-(4-fluorophenyl)-2-(1-methylcyclopentyl)-5-(4-methylsulfonylphenyl)pyridazin-3-one (CID 10296055) is 4-(4-fluorophenyl)-2-(1-methylcyclopentyl)-5-(4-methylsulfonylphenyl)pyridazin-3-one.
What is the SMILES notation for 4-(4-fluorophenyl)-2-(1-methylcyclopentyl)-5-(4-methylsulfonylphenyl)pyridazin-3-one?
The canonical SMILES for 4-(4-fluorophenyl)-2-(1-methylcyclopentyl)-5-(4-methylsulfonylphenyl)pyridazin-3-one is CC1(n2ncc(-c3ccc(S(C)(=O)=O)cc3)c(-c3ccc(F)cc3)c2=O)CCCC1.
What is the InChIKey of 4-(4-fluorophenyl)-2-(1-methylcyclopentyl)-5-(4-methylsulfonylphenyl)pyridazin-3-one?
The InChIKey is MWNUZQYQYSIBLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN2O3S/c1-23(13-3-4-14-23)26-22(27)21(17-5-9-18(24)10-6-17)20(15-25-26)16-7-11-19(12-8-16)30(2,28)29/h5-12,15H,3-4,13-14H2,1-2H3.
What are the key properties of 4-(4-fluorophenyl)-2-(1-methylcyclopentyl)-5-(4-methylsulfonylphenyl)pyridazin-3-one?
4-(4-fluorophenyl)-2-(1-methylcyclopentyl)-5-(4-methylsulfonylphenyl)pyridazin-3-one has a molecular weight of 426.51 g/mol, XLogP of 4.41, 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-(1-methylcyclopentyl)-5-(4-methylsulfonylphenyl)pyridazin-3-one is sourced from PubChem (CID 10296055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).