5-oxo-3,7-diphenyl-6,7-dihydro-4H-thieno[3,2-b]pyridine-2-carboxylic acid

C20H15NO3S — CID 16765633

IUPAC5-oxo-3,7-diphenyl-6,7-dihydro-4H-thieno[3,2-b]pyridine-2-carboxylic acid
SMILESO=C1CC(c2ccccc2)c2sc(C(=O)O)c(-c3ccccc3)c2N1
InChIInChI=1S/C20H15NO3S/c22-15-11-14(12-7-3-1-4-8-12)18-17(21-15)16(19(25-18)20(23)24)13-9-5-2-6-10-13/h1-10,14H,11H2,(H,21,22)(H,23,24)
InChIKeyLMCATMMZRMMYFV-UHFFFAOYSA-N
MW349.41 g/mol
LogP4.59
Rot. Bonds3

About 5-oxo-3,7-diphenyl-6,7-dihydro-4H-thieno[3,2-b]pyridine-2-carboxylic acid

5-oxo-3,7-diphenyl-6,7-dihydro-4H-thieno[3,2-b]pyridine-2-carboxylic acid (PubChem CID 16765633) has the molecular formula C20H15NO3S and a molecular weight of 349.41 g/mol. Its IUPAC name is 5-oxo-3,7-diphenyl-6,7-dihydro-4H-thieno[3,2-b]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-oxo-3,7-diphenyl-6,7-dihydro-4H-thieno[3,2-b]pyridine-2-carboxylic acid
PubChem CID16765633
Molecular FormulaC20H15NO3S
Molecular Weight349.41 g/mol
Exact Mass349.08
IUPAC Name5-oxo-3,7-diphenyl-6,7-dihydro-4H-thieno[3,2-b]pyridine-2-carboxylic acid
SMILESO=C1CC(c2ccccc2)c2sc(C(=O)O)c(-c3ccccc3)c2N1
InChIInChI=1S/C20H15NO3S/c22-15-11-14(12-7-3-1-4-8-12)18-17(21-15)16(19(25-18)20(23)24)13-9-5-2-6-10-13/h1-10,14H,11H2,(H,21,22)(H,23,24)
InChIKeyLMCATMMZRMMYFV-UHFFFAOYSA-N
XLogP4.59
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-oxo-3,7-diphenyl-6,7-dihydro-4H-thieno[3,2-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 5-oxo-3,7-diphenyl-6,7-dihydro-4H-thieno[3,2-b]pyridine-2-carboxylic acid?
The IUPAC name of 5-oxo-3,7-diphenyl-6,7-dihydro-4H-thieno[3,2-b]pyridine-2-carboxylic acid (CID 16765633) is 5-oxo-3,7-diphenyl-6,7-dihydro-4H-thieno[3,2-b]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-oxo-3,7-diphenyl-6,7-dihydro-4H-thieno[3,2-b]pyridine-2-carboxylic acid?
The canonical SMILES for 5-oxo-3,7-diphenyl-6,7-dihydro-4H-thieno[3,2-b]pyridine-2-carboxylic acid is O=C1CC(c2ccccc2)c2sc(C(=O)O)c(-c3ccccc3)c2N1.
What is the InChIKey of 5-oxo-3,7-diphenyl-6,7-dihydro-4H-thieno[3,2-b]pyridine-2-carboxylic acid?
The InChIKey is LMCATMMZRMMYFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15NO3S/c22-15-11-14(12-7-3-1-4-8-12)18-17(21-15)16(19(25-18)20(23)24)13-9-5-2-6-10-13/h1-10,14H,11H2,(H,21,22)(H,23,24).
What are the key properties of 5-oxo-3,7-diphenyl-6,7-dihydro-4H-thieno[3,2-b]pyridine-2-carboxylic acid?
5-oxo-3,7-diphenyl-6,7-dihydro-4H-thieno[3,2-b]pyridine-2-carboxylic acid has a molecular weight of 349.41 g/mol, XLogP of 4.59, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-3,7-diphenyl-6,7-dihydro-4H-thieno[3,2-b]pyridine-2-carboxylic acid is sourced from PubChem (CID 16765633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).