3-(3-fluorophenyl)sulfanyl-4-hydroxy-7-phenyl-6-propan-2-ylpyrano[3,2-c]pyridine-2,5-dione

C23H18FNO4S — CID 59240792

IUPAC3-(3-fluorophenyl)sulfanyl-4-hydroxy-7-phenyl-6-propan-2-ylpyrano[3,2-c]pyridine-2,5-dione
SMILESCC(C)n1c(-c2ccccc2)cc2oc(=O)c(Sc3cccc(F)c3)c(O)c2c1=O
InChIInChI=1S/C23H18FNO4S/c1-13(2)25-17(14-7-4-3-5-8-14)12-18-19(22(25)27)20(26)21(23(28)29-18)30-16-10-6-9-15(24)11-16/h3-13,26H,1-2H3
InChIKeyQJSJNIMXACWVRU-UHFFFAOYSA-N
MW423.47 g/mol
LogP5.20
Rot. Bonds4

About 3-(3-fluorophenyl)sulfanyl-4-hydroxy-7-phenyl-6-propan-2-ylpyrano[3,2-c]pyridine-2,5-dione

3-(3-fluorophenyl)sulfanyl-4-hydroxy-7-phenyl-6-propan-2-ylpyrano[3,2-c]pyridine-2,5-dione (PubChem CID 59240792) has the molecular formula C23H18FNO4S and a molecular weight of 423.47 g/mol. Its IUPAC name is 3-(3-fluorophenyl)sulfanyl-4-hydroxy-7-phenyl-6-propan-2-ylpyrano[3,2-c]pyridine-2,5-dione.

Molecular Properties

Compound Name3-(3-fluorophenyl)sulfanyl-4-hydroxy-7-phenyl-6-propan-2-ylpyrano[3,2-c]pyridine-2,5-dione
PubChem CID59240792
Molecular FormulaC23H18FNO4S
Molecular Weight423.47 g/mol
Exact Mass423.09
IUPAC Name3-(3-fluorophenyl)sulfanyl-4-hydroxy-7-phenyl-6-propan-2-ylpyrano[3,2-c]pyridine-2,5-dione
SMILESCC(C)n1c(-c2ccccc2)cc2oc(=O)c(Sc3cccc(F)c3)c(O)c2c1=O
InChIInChI=1S/C23H18FNO4S/c1-13(2)25-17(14-7-4-3-5-8-14)12-18-19(22(25)27)20(26)21(23(28)29-18)30-16-10-6-9-15(24)11-16/h3-13,26H,1-2H3
InChIKeyQJSJNIMXACWVRU-UHFFFAOYSA-N
XLogP5.20
TPSA72.44 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.47
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-(3-fluorophenyl)sulfanyl-4-hydroxy-7-phenyl-6-propan-2-ylpyrano[3,2-c]pyridine-2,5-dione 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 3-(3-fluorophenyl)sulfanyl-4-hydroxy-7-phenyl-6-propan-2-ylpyrano[3,2-c]pyridine-2,5-dione?
The IUPAC name of 3-(3-fluorophenyl)sulfanyl-4-hydroxy-7-phenyl-6-propan-2-ylpyrano[3,2-c]pyridine-2,5-dione (CID 59240792) is 3-(3-fluorophenyl)sulfanyl-4-hydroxy-7-phenyl-6-propan-2-ylpyrano[3,2-c]pyridine-2,5-dione.
What is the SMILES notation for 3-(3-fluorophenyl)sulfanyl-4-hydroxy-7-phenyl-6-propan-2-ylpyrano[3,2-c]pyridine-2,5-dione?
The canonical SMILES for 3-(3-fluorophenyl)sulfanyl-4-hydroxy-7-phenyl-6-propan-2-ylpyrano[3,2-c]pyridine-2,5-dione is CC(C)n1c(-c2ccccc2)cc2oc(=O)c(Sc3cccc(F)c3)c(O)c2c1=O.
What is the InChIKey of 3-(3-fluorophenyl)sulfanyl-4-hydroxy-7-phenyl-6-propan-2-ylpyrano[3,2-c]pyridine-2,5-dione?
The InChIKey is QJSJNIMXACWVRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18FNO4S/c1-13(2)25-17(14-7-4-3-5-8-14)12-18-19(22(25)27)20(26)21(23(28)29-18)30-16-10-6-9-15(24)11-16/h3-13,26H,1-2H3.
What are the key properties of 3-(3-fluorophenyl)sulfanyl-4-hydroxy-7-phenyl-6-propan-2-ylpyrano[3,2-c]pyridine-2,5-dione?
3-(3-fluorophenyl)sulfanyl-4-hydroxy-7-phenyl-6-propan-2-ylpyrano[3,2-c]pyridine-2,5-dione has a molecular weight of 423.47 g/mol, XLogP of 5.20, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)sulfanyl-4-hydroxy-7-phenyl-6-propan-2-ylpyrano[3,2-c]pyridine-2,5-dione is sourced from PubChem (CID 59240792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).