5-fluoro-5-(4-fluorophenyl)-3-(4-methoxyphenyl)-7H-thieno[2,3-b]pyridine-4,6-dione

C20H13F2NO3S — CID 67297330

IUPAC5-fluoro-5-(4-fluorophenyl)-3-(4-methoxyphenyl)-7H-thieno[2,3-b]pyridine-4,6-dione
SMILESCOc1ccc(-c2csc3c2C(=O)C(F)(c2ccc(F)cc2)C(=O)N3)cc1
InChIInChI=1S/C20H13F2NO3S/c1-26-14-8-2-11(3-9-14)15-10-27-18-16(15)17(24)20(22,19(25)23-18)12-4-6-13(21)7-5-12/h2-10H,1H3,(H,23,25)
InChIKeyOJVDEDZBJOLNPP-UHFFFAOYSA-N
MW385.39 g/mol
LogP4.56
Rot. Bonds3

About 5-fluoro-5-(4-fluorophenyl)-3-(4-methoxyphenyl)-7H-thieno[2,3-b]pyridine-4,6-dione

5-fluoro-5-(4-fluorophenyl)-3-(4-methoxyphenyl)-7H-thieno[2,3-b]pyridine-4,6-dione (PubChem CID 67297330) has the molecular formula C20H13F2NO3S and a molecular weight of 385.39 g/mol. Its IUPAC name is 5-fluoro-5-(4-fluorophenyl)-3-(4-methoxyphenyl)-7H-thieno[2,3-b]pyridine-4,6-dione.

Molecular Properties

Compound Name5-fluoro-5-(4-fluorophenyl)-3-(4-methoxyphenyl)-7H-thieno[2,3-b]pyridine-4,6-dione
PubChem CID67297330
Molecular FormulaC20H13F2NO3S
Molecular Weight385.39 g/mol
Exact Mass385.06
IUPAC Name5-fluoro-5-(4-fluorophenyl)-3-(4-methoxyphenyl)-7H-thieno[2,3-b]pyridine-4,6-dione
SMILESCOc1ccc(-c2csc3c2C(=O)C(F)(c2ccc(F)cc2)C(=O)N3)cc1
InChIInChI=1S/C20H13F2NO3S/c1-26-14-8-2-11(3-9-14)15-10-27-18-16(15)17(24)20(22,19(25)23-18)12-4-6-13(21)7-5-12/h2-10H,1H3,(H,23,25)
InChIKeyOJVDEDZBJOLNPP-UHFFFAOYSA-N
XLogP4.56
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.39
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 5-fluoro-5-(4-fluorophenyl)-3-(4-methoxyphenyl)-7H-thieno[2,3-b]pyridine-4,6-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 5-fluoro-5-(4-fluorophenyl)-3-(4-methoxyphenyl)-7H-thieno[2,3-b]pyridine-4,6-dione?
The IUPAC name of 5-fluoro-5-(4-fluorophenyl)-3-(4-methoxyphenyl)-7H-thieno[2,3-b]pyridine-4,6-dione (CID 67297330) is 5-fluoro-5-(4-fluorophenyl)-3-(4-methoxyphenyl)-7H-thieno[2,3-b]pyridine-4,6-dione.
What is the SMILES notation for 5-fluoro-5-(4-fluorophenyl)-3-(4-methoxyphenyl)-7H-thieno[2,3-b]pyridine-4,6-dione?
The canonical SMILES for 5-fluoro-5-(4-fluorophenyl)-3-(4-methoxyphenyl)-7H-thieno[2,3-b]pyridine-4,6-dione is COc1ccc(-c2csc3c2C(=O)C(F)(c2ccc(F)cc2)C(=O)N3)cc1.
What is the InChIKey of 5-fluoro-5-(4-fluorophenyl)-3-(4-methoxyphenyl)-7H-thieno[2,3-b]pyridine-4,6-dione?
The InChIKey is OJVDEDZBJOLNPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13F2NO3S/c1-26-14-8-2-11(3-9-14)15-10-27-18-16(15)17(24)20(22,19(25)23-18)12-4-6-13(21)7-5-12/h2-10H,1H3,(H,23,25).
What are the key properties of 5-fluoro-5-(4-fluorophenyl)-3-(4-methoxyphenyl)-7H-thieno[2,3-b]pyridine-4,6-dione?
5-fluoro-5-(4-fluorophenyl)-3-(4-methoxyphenyl)-7H-thieno[2,3-b]pyridine-4,6-dione has a molecular weight of 385.39 g/mol, XLogP of 4.56, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-5-(4-fluorophenyl)-3-(4-methoxyphenyl)-7H-thieno[2,3-b]pyridine-4,6-dione is sourced from PubChem (CID 67297330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).