4-(4-fluorophenyl)-1-(4-methylsulfinylphenyl)-3-pyridin-4-yl-2H-pyrrol-5-one

C22H17FN2O2S — CID 160588547

IUPAC4-(4-fluorophenyl)-1-(4-methylsulfinylphenyl)-3-pyridin-4-yl-2H-pyrrol-5-one
SMILESCS(=O)c1ccc(N2CC(c3ccncc3)=C(c3ccc(F)cc3)C2=O)cc1
InChIInChI=1S/C22H17FN2O2S/c1-28(27)19-8-6-18(7-9-19)25-14-20(15-10-12-24-13-11-15)21(22(25)26)16-2-4-17(23)5-3-16/h2-13H,14H2,1H3
InChIKeyRCSDEZNDMIBLGX-UHFFFAOYSA-N
MW392.46 g/mol
LogP3.92
Rot. Bonds4

About 4-(4-fluorophenyl)-1-(4-methylsulfinylphenyl)-3-pyridin-4-yl-2H-pyrrol-5-one

4-(4-fluorophenyl)-1-(4-methylsulfinylphenyl)-3-pyridin-4-yl-2H-pyrrol-5-one (PubChem CID 160588547) has the molecular formula C22H17FN2O2S and a molecular weight of 392.46 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-1-(4-methylsulfinylphenyl)-3-pyridin-4-yl-2H-pyrrol-5-one.

Molecular Properties

Compound Name4-(4-fluorophenyl)-1-(4-methylsulfinylphenyl)-3-pyridin-4-yl-2H-pyrrol-5-one
PubChem CID160588547
Molecular FormulaC22H17FN2O2S
Molecular Weight392.46 g/mol
Exact Mass392.10
IUPAC Name4-(4-fluorophenyl)-1-(4-methylsulfinylphenyl)-3-pyridin-4-yl-2H-pyrrol-5-one
SMILESCS(=O)c1ccc(N2CC(c3ccncc3)=C(c3ccc(F)cc3)C2=O)cc1
InChIInChI=1S/C22H17FN2O2S/c1-28(27)19-8-6-18(7-9-19)25-14-20(15-10-12-24-13-11-15)21(22(25)26)16-2-4-17(23)5-3-16/h2-13H,14H2,1H3
InChIKeyRCSDEZNDMIBLGX-UHFFFAOYSA-N
XLogP3.92
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-1-(4-methylsulfinylphenyl)-3-pyridin-4-yl-2H-pyrrol-5-one?
The IUPAC name of 4-(4-fluorophenyl)-1-(4-methylsulfinylphenyl)-3-pyridin-4-yl-2H-pyrrol-5-one (CID 160588547) is 4-(4-fluorophenyl)-1-(4-methylsulfinylphenyl)-3-pyridin-4-yl-2H-pyrrol-5-one.
What is the SMILES notation for 4-(4-fluorophenyl)-1-(4-methylsulfinylphenyl)-3-pyridin-4-yl-2H-pyrrol-5-one?
The canonical SMILES for 4-(4-fluorophenyl)-1-(4-methylsulfinylphenyl)-3-pyridin-4-yl-2H-pyrrol-5-one is CS(=O)c1ccc(N2CC(c3ccncc3)=C(c3ccc(F)cc3)C2=O)cc1.
What is the InChIKey of 4-(4-fluorophenyl)-1-(4-methylsulfinylphenyl)-3-pyridin-4-yl-2H-pyrrol-5-one?
The InChIKey is RCSDEZNDMIBLGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17FN2O2S/c1-28(27)19-8-6-18(7-9-19)25-14-20(15-10-12-24-13-11-15)21(22(25)26)16-2-4-17(23)5-3-16/h2-13H,14H2,1H3.
What are the key properties of 4-(4-fluorophenyl)-1-(4-methylsulfinylphenyl)-3-pyridin-4-yl-2H-pyrrol-5-one?
4-(4-fluorophenyl)-1-(4-methylsulfinylphenyl)-3-pyridin-4-yl-2H-pyrrol-5-one has a molecular weight of 392.46 g/mol, XLogP of 3.92, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-1-(4-methylsulfinylphenyl)-3-pyridin-4-yl-2H-pyrrol-5-one is sourced from PubChem (CID 160588547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).