3-(thiolan-3-yl)imidazo[1,5-a]pyridine-5-carboxylic acid

C12H12N2O2S — CID 117142453

IUPAC3-(thiolan-3-yl)imidazo[1,5-a]pyridine-5-carboxylic acid
SMILESO=C(O)c1cccc2cnc(C3CCSC3)n12
InChIInChI=1S/C12H12N2O2S/c15-12(16)10-3-1-2-9-6-13-11(14(9)10)8-4-5-17-7-8/h1-3,6,8H,4-5,7H2,(H,15,16)
InChIKeyATYXJYGUURRLFL-UHFFFAOYSA-N
MW248.31 g/mol
LogP2.25
Rot. Bonds2

About 3-(thiolan-3-yl)imidazo[1,5-a]pyridine-5-carboxylic acid

3-(thiolan-3-yl)imidazo[1,5-a]pyridine-5-carboxylic acid (PubChem CID 117142453) has the molecular formula C12H12N2O2S and a molecular weight of 248.31 g/mol. Its IUPAC name is 3-(thiolan-3-yl)imidazo[1,5-a]pyridine-5-carboxylic acid.

Molecular Properties

Compound Name3-(thiolan-3-yl)imidazo[1,5-a]pyridine-5-carboxylic acid
PubChem CID117142453
Molecular FormulaC12H12N2O2S
Molecular Weight248.31 g/mol
Exact Mass248.06
IUPAC Name3-(thiolan-3-yl)imidazo[1,5-a]pyridine-5-carboxylic acid
SMILESO=C(O)c1cccc2cnc(C3CCSC3)n12
InChIInChI=1S/C12H12N2O2S/c15-12(16)10-3-1-2-9-6-13-11(14(9)10)8-4-5-17-7-8/h1-3,6,8H,4-5,7H2,(H,15,16)
InChIKeyATYXJYGUURRLFL-UHFFFAOYSA-N
XLogP2.25
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.31
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-cyclobutylimidazo[1,5-a]pyridine-5-carboxylic acid
CID 83835843
3-(1,1-dioxothian-3-yl)imidazo[1,5-a]pyridine-5-carboxylic acid
CID 117142556
3-(thian-4-yl)imidazo[1,5-a]pyridin-5-amine
CID 117141309
3-(1-methylpiperidin-2-yl)imidazo[1,5-a]pyridine-5-carboxylic acid
CID 117142621
methyl 3-cyclopropylimidazo[1,5-a]pyridine-5-carboxylate
CID 117142870
methyl 3-cyclopentylimidazo[1,5-a]pyridine-5-carboxylate
CID 117142874
3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyridine-5-carboxylic acid
CID 83686835
2-amino-2-(3-cyclopropylimidazo[1,5-a]pyridin-5-yl)acetic acid
CID 83840685
3-(3-hydroxyphenyl)imidazo[1,5-a]pyridine-5-carboxylic acid
CID 84737927
2-(thiolan-3-yl)-1,3-oxazole-5-carboxylic acid
CID 115021666
[3-(thiolan-3-yl)imidazo[1,5-a]pyridin-7-yl]methanamine
CID 117143199
3-cyclopropyl-5-isocyanatoimidazo[1,5-a]pyridine
CID 83915991

Frequently Asked Questions

What is the IUPAC name of 3-(thiolan-3-yl)imidazo[1,5-a]pyridine-5-carboxylic acid?
The IUPAC name of 3-(thiolan-3-yl)imidazo[1,5-a]pyridine-5-carboxylic acid (CID 117142453) is 3-(thiolan-3-yl)imidazo[1,5-a]pyridine-5-carboxylic acid.
What is the SMILES notation for 3-(thiolan-3-yl)imidazo[1,5-a]pyridine-5-carboxylic acid?
The canonical SMILES for 3-(thiolan-3-yl)imidazo[1,5-a]pyridine-5-carboxylic acid is O=C(O)c1cccc2cnc(C3CCSC3)n12.
What is the InChIKey of 3-(thiolan-3-yl)imidazo[1,5-a]pyridine-5-carboxylic acid?
The InChIKey is ATYXJYGUURRLFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2S/c15-12(16)10-3-1-2-9-6-13-11(14(9)10)8-4-5-17-7-8/h1-3,6,8H,4-5,7H2,(H,15,16).
What are the key properties of 3-(thiolan-3-yl)imidazo[1,5-a]pyridine-5-carboxylic acid?
3-(thiolan-3-yl)imidazo[1,5-a]pyridine-5-carboxylic acid has a molecular weight of 248.31 g/mol, XLogP of 2.25, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(thiolan-3-yl)imidazo[1,5-a]pyridine-5-carboxylic acid is sourced from PubChem (CID 117142453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).