3-isoquinolin-1-ylthieno[2,3-b]pyridine-2-carboxylic acid

C17H10N2O2S — CID 139653274

IUPAC3-isoquinolin-1-ylthieno[2,3-b]pyridine-2-carboxylic acid
SMILESO=C(O)c1sc2ncccc2c1-c1nccc2ccccc12
InChIInChI=1S/C17H10N2O2S/c20-17(21)15-13(12-6-3-8-19-16(12)22-15)14-11-5-2-1-4-10(11)7-9-18-14/h1-9H,(H,20,21)
InChIKeyOGFRYSAUAFCNJK-UHFFFAOYSA-N
MW306.35 g/mol
LogP4.21
Rot. Bonds2

About 3-isoquinolin-1-ylthieno[2,3-b]pyridine-2-carboxylic acid

3-isoquinolin-1-ylthieno[2,3-b]pyridine-2-carboxylic acid (PubChem CID 139653274) has the molecular formula C17H10N2O2S and a molecular weight of 306.35 g/mol. Its IUPAC name is 3-isoquinolin-1-ylthieno[2,3-b]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-isoquinolin-1-ylthieno[2,3-b]pyridine-2-carboxylic acid
PubChem CID139653274
Molecular FormulaC17H10N2O2S
Molecular Weight306.35 g/mol
Exact Mass306.05
IUPAC Name3-isoquinolin-1-ylthieno[2,3-b]pyridine-2-carboxylic acid
SMILESO=C(O)c1sc2ncccc2c1-c1nccc2ccccc12
InChIInChI=1S/C17H10N2O2S/c20-17(21)15-13(12-6-3-8-19-16(12)22-15)14-11-5-2-1-4-10(11)7-9-18-14/h1-9H,(H,20,21)
InChIKeyOGFRYSAUAFCNJK-UHFFFAOYSA-N
XLogP4.21
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.35
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-isoquinolin-1-ylthieno[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-isoquinolin-1-ylthieno[2,3-b]pyridine-2-carboxylic acid?
The IUPAC name of 3-isoquinolin-1-ylthieno[2,3-b]pyridine-2-carboxylic acid (CID 139653274) is 3-isoquinolin-1-ylthieno[2,3-b]pyridine-2-carboxylic acid.
What is the SMILES notation for 3-isoquinolin-1-ylthieno[2,3-b]pyridine-2-carboxylic acid?
The canonical SMILES for 3-isoquinolin-1-ylthieno[2,3-b]pyridine-2-carboxylic acid is O=C(O)c1sc2ncccc2c1-c1nccc2ccccc12.
What is the InChIKey of 3-isoquinolin-1-ylthieno[2,3-b]pyridine-2-carboxylic acid?
The InChIKey is OGFRYSAUAFCNJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10N2O2S/c20-17(21)15-13(12-6-3-8-19-16(12)22-15)14-11-5-2-1-4-10(11)7-9-18-14/h1-9H,(H,20,21).
What are the key properties of 3-isoquinolin-1-ylthieno[2,3-b]pyridine-2-carboxylic acid?
3-isoquinolin-1-ylthieno[2,3-b]pyridine-2-carboxylic acid has a molecular weight of 306.35 g/mol, XLogP of 4.21, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-isoquinolin-1-ylthieno[2,3-b]pyridine-2-carboxylic acid is sourced from PubChem (CID 139653274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).