4-thiophen-2-yl-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-6-carboxylic acid

C11H11N3O2S — CID 2771119

IUPAC4-thiophen-2-yl-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-6-carboxylic acid
SMILESO=C(O)C1Cc2[nH]cnc2C(c2cccs2)N1
InChIInChI=1S/C11H11N3O2S/c15-11(16)7-4-6-9(13-5-12-6)10(14-7)8-2-1-3-17-8/h1-3,5,7,10,14H,4H2,(H,12,13)(H,15,16)
InChIKeyAOYPUEQTXLZQGC-UHFFFAOYSA-N
MW249.30 g/mol
LogP1.16
Rot. Bonds2

About 4-thiophen-2-yl-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-6-carboxylic acid

4-thiophen-2-yl-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-6-carboxylic acid (PubChem CID 2771119) has the molecular formula C11H11N3O2S and a molecular weight of 249.30 g/mol. Its IUPAC name is 4-thiophen-2-yl-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-6-carboxylic acid.

Molecular Properties

Compound Name4-thiophen-2-yl-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-6-carboxylic acid
PubChem CID2771119
Molecular FormulaC11H11N3O2S
Molecular Weight249.30 g/mol
Exact Mass249.06
IUPAC Name4-thiophen-2-yl-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-6-carboxylic acid
SMILESO=C(O)C1Cc2[nH]cnc2C(c2cccs2)N1
InChIInChI=1S/C11H11N3O2S/c15-11(16)7-4-6-9(13-5-12-6)10(14-7)8-2-1-3-17-8/h1-3,5,7,10,14H,4H2,(H,12,13)(H,15,16)
InChIKeyAOYPUEQTXLZQGC-UHFFFAOYSA-N
XLogP1.16
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.30
LogP ≤ 51.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-thiophen-2-yl-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-6-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 4-thiophen-2-yl-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-6-carboxylic acid?
The IUPAC name of 4-thiophen-2-yl-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-6-carboxylic acid (CID 2771119) is 4-thiophen-2-yl-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-6-carboxylic acid.
What is the SMILES notation for 4-thiophen-2-yl-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-6-carboxylic acid?
The canonical SMILES for 4-thiophen-2-yl-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-6-carboxylic acid is O=C(O)C1Cc2[nH]cnc2C(c2cccs2)N1.
What is the InChIKey of 4-thiophen-2-yl-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-6-carboxylic acid?
The InChIKey is AOYPUEQTXLZQGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O2S/c15-11(16)7-4-6-9(13-5-12-6)10(14-7)8-2-1-3-17-8/h1-3,5,7,10,14H,4H2,(H,12,13)(H,15,16).
What are the key properties of 4-thiophen-2-yl-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-6-carboxylic acid?
4-thiophen-2-yl-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-6-carboxylic acid has a molecular weight of 249.30 g/mol, XLogP of 1.16, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-thiophen-2-yl-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-6-carboxylic acid is sourced from PubChem (CID 2771119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).