3-(2,4-difluoroanilino)-6-oxo-7-phenylthieno[2,3-b]pyridine-2-carboxylic acid

C20H12F2N2O3S — CID 66970946

IUPAC3-(2,4-difluoroanilino)-6-oxo-7-phenylthieno[2,3-b]pyridine-2-carboxylic acid
SMILESO=C(O)c1sc2c(ccc(=O)n2-c2ccccc2)c1Nc1ccc(F)cc1F
InChIInChI=1S/C20H12F2N2O3S/c21-11-6-8-15(14(22)10-11)23-17-13-7-9-16(25)24(12-4-2-1-3-5-12)19(13)28-18(17)20(26)27/h1-10,23H,(H,26,27)
InChIKeyDPEPWZHRKCCRQY-UHFFFAOYSA-N
MW398.39 g/mol
LogP4.77
Rot. Bonds4

About 3-(2,4-difluoroanilino)-6-oxo-7-phenylthieno[2,3-b]pyridine-2-carboxylic acid

3-(2,4-difluoroanilino)-6-oxo-7-phenylthieno[2,3-b]pyridine-2-carboxylic acid (PubChem CID 66970946) has the molecular formula C20H12F2N2O3S and a molecular weight of 398.39 g/mol. Its IUPAC name is 3-(2,4-difluoroanilino)-6-oxo-7-phenylthieno[2,3-b]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-(2,4-difluoroanilino)-6-oxo-7-phenylthieno[2,3-b]pyridine-2-carboxylic acid
PubChem CID66970946
Molecular FormulaC20H12F2N2O3S
Molecular Weight398.39 g/mol
Exact Mass398.05
IUPAC Name3-(2,4-difluoroanilino)-6-oxo-7-phenylthieno[2,3-b]pyridine-2-carboxylic acid
SMILESO=C(O)c1sc2c(ccc(=O)n2-c2ccccc2)c1Nc1ccc(F)cc1F
InChIInChI=1S/C20H12F2N2O3S/c21-11-6-8-15(14(22)10-11)23-17-13-7-9-16(25)24(12-4-2-1-3-5-12)19(13)28-18(17)20(26)27/h1-10,23H,(H,26,27)
InChIKeyDPEPWZHRKCCRQY-UHFFFAOYSA-N
XLogP4.77
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.39
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-(2,4-difluoroanilino)-6-oxo-7-phenylthieno[2,3-b]pyridine-2-carboxylic acid 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-(2,4-difluoroanilino)-6-oxo-7-phenylthieno[2,3-b]pyridine-2-carboxylic acid?
The IUPAC name of 3-(2,4-difluoroanilino)-6-oxo-7-phenylthieno[2,3-b]pyridine-2-carboxylic acid (CID 66970946) is 3-(2,4-difluoroanilino)-6-oxo-7-phenylthieno[2,3-b]pyridine-2-carboxylic acid.
What is the SMILES notation for 3-(2,4-difluoroanilino)-6-oxo-7-phenylthieno[2,3-b]pyridine-2-carboxylic acid?
The canonical SMILES for 3-(2,4-difluoroanilino)-6-oxo-7-phenylthieno[2,3-b]pyridine-2-carboxylic acid is O=C(O)c1sc2c(ccc(=O)n2-c2ccccc2)c1Nc1ccc(F)cc1F.
What is the InChIKey of 3-(2,4-difluoroanilino)-6-oxo-7-phenylthieno[2,3-b]pyridine-2-carboxylic acid?
The InChIKey is DPEPWZHRKCCRQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12F2N2O3S/c21-11-6-8-15(14(22)10-11)23-17-13-7-9-16(25)24(12-4-2-1-3-5-12)19(13)28-18(17)20(26)27/h1-10,23H,(H,26,27).
What are the key properties of 3-(2,4-difluoroanilino)-6-oxo-7-phenylthieno[2,3-b]pyridine-2-carboxylic acid?
3-(2,4-difluoroanilino)-6-oxo-7-phenylthieno[2,3-b]pyridine-2-carboxylic acid has a molecular weight of 398.39 g/mol, XLogP of 4.77, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-difluoroanilino)-6-oxo-7-phenylthieno[2,3-b]pyridine-2-carboxylic acid is sourced from PubChem (CID 66970946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).