3-(thian-2-ylmethyl)imidazo[1,5-a]pyridine-6-carboxylic acid

C14H16N2O2S — CID 117140239

IUPAC3-(thian-2-ylmethyl)imidazo[1,5-a]pyridine-6-carboxylic acid
SMILESO=C(O)c1ccc2cnc(CC3CCCCS3)n2c1
InChIInChI=1S/C14H16N2O2S/c17-14(18)10-4-5-11-8-15-13(16(11)9-10)7-12-3-1-2-6-19-12/h4-5,8-9,12H,1-3,6-7H2,(H,17,18)
InChIKeyKKGUDCGLUNPNBN-UHFFFAOYSA-N
MW276.36 g/mol
LogP2.86
Rot. Bonds3

About 3-(thian-2-ylmethyl)imidazo[1,5-a]pyridine-6-carboxylic acid

3-(thian-2-ylmethyl)imidazo[1,5-a]pyridine-6-carboxylic acid (PubChem CID 117140239) has the molecular formula C14H16N2O2S and a molecular weight of 276.36 g/mol. Its IUPAC name is 3-(thian-2-ylmethyl)imidazo[1,5-a]pyridine-6-carboxylic acid.

Molecular Properties

Compound Name3-(thian-2-ylmethyl)imidazo[1,5-a]pyridine-6-carboxylic acid
PubChem CID117140239
Molecular FormulaC14H16N2O2S
Molecular Weight276.36 g/mol
Exact Mass276.09
IUPAC Name3-(thian-2-ylmethyl)imidazo[1,5-a]pyridine-6-carboxylic acid
SMILESO=C(O)c1ccc2cnc(CC3CCCCS3)n2c1
InChIInChI=1S/C14H16N2O2S/c17-14(18)10-4-5-11-8-15-13(16(11)9-10)7-12-3-1-2-6-19-12/h4-5,8-9,12H,1-3,6-7H2,(H,17,18)
InChIKeyKKGUDCGLUNPNBN-UHFFFAOYSA-N
XLogP2.86
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(thian-2-ylmethyl)imidazo[1,5-a]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

Related Compounds

6-methoxy-3-(thian-2-ylmethyl)imidazo[1,5-a]pyridine
CID 117138003
3-(oxan-3-ylmethyl)imidazo[1,5-a]pyridine-6-carboxylic acid
CID 117140259
7-bromo-3-(thian-2-ylmethyl)imidazo[1,5-a]pyridine
CID 117144243
3-cyclobutylimidazo[1,5-a]pyridine-6-carboxylic acid
CID 83835844
methyl 3-(thian-2-ylmethyl)imidazo[1,5-a]pyridine-5-carboxylate
CID 117142671
3-[2-(4-methylpiperazin-1-yl)ethyl]imidazo[1,5-a]pyridine-6-carboxylic acid
CID 117140371
methyl 3-[(1-methylpiperidin-2-yl)methyl]imidazo[1,5-a]pyridine-6-carboxylate
CID 117140246
methyl 3-[(1-ethylpyrrolidin-2-yl)methyl]imidazo[1,5-a]pyridine-6-carboxylate
CID 117140229
2-(thiolan-2-ylmethyl)-1,3-thiazole-5-carboxylic acid
CID 115090879
3-(1-ethylpiperidin-3-yl)imidazo[1,5-a]pyridine-6-carboxylic acid
CID 117140157
3-(4-methylphenyl)imidazo[1,5-a]pyridine-6-carboxylic acid
CID 84737805
[3-(thiolan-2-ylmethyl)imidazo[1,5-a]pyridin-5-yl]methanamine
CID 117140785

Frequently Asked Questions

What is the IUPAC name of 3-(thian-2-ylmethyl)imidazo[1,5-a]pyridine-6-carboxylic acid?
The IUPAC name of 3-(thian-2-ylmethyl)imidazo[1,5-a]pyridine-6-carboxylic acid (CID 117140239) is 3-(thian-2-ylmethyl)imidazo[1,5-a]pyridine-6-carboxylic acid.
What is the SMILES notation for 3-(thian-2-ylmethyl)imidazo[1,5-a]pyridine-6-carboxylic acid?
The canonical SMILES for 3-(thian-2-ylmethyl)imidazo[1,5-a]pyridine-6-carboxylic acid is O=C(O)c1ccc2cnc(CC3CCCCS3)n2c1.
What is the InChIKey of 3-(thian-2-ylmethyl)imidazo[1,5-a]pyridine-6-carboxylic acid?
The InChIKey is KKGUDCGLUNPNBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2S/c17-14(18)10-4-5-11-8-15-13(16(11)9-10)7-12-3-1-2-6-19-12/h4-5,8-9,12H,1-3,6-7H2,(H,17,18).
What are the key properties of 3-(thian-2-ylmethyl)imidazo[1,5-a]pyridine-6-carboxylic acid?
3-(thian-2-ylmethyl)imidazo[1,5-a]pyridine-6-carboxylic acid has a molecular weight of 276.36 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(thian-2-ylmethyl)imidazo[1,5-a]pyridine-6-carboxylic acid is sourced from PubChem (CID 117140239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).