1-chloro-3-(thiolan-3-yl)imidazo[1,5-a]pyridine-7-carboxylic acid

C12H11ClN2O2S — CID 117251569

IUPAC1-chloro-3-(thiolan-3-yl)imidazo[1,5-a]pyridine-7-carboxylic acid
SMILESO=C(O)c1ccn2c(C3CCSC3)nc(Cl)c2c1
InChIInChI=1S/C12H11ClN2O2S/c13-10-9-5-7(12(16)17)1-3-15(9)11(14-10)8-2-4-18-6-8/h1,3,5,8H,2,4,6H2,(H,16,17)
InChIKeyJNKRYTCTBBZNDA-UHFFFAOYSA-N
MW282.75 g/mol
LogP2.91
Rot. Bonds2

About 1-chloro-3-(thiolan-3-yl)imidazo[1,5-a]pyridine-7-carboxylic acid

1-chloro-3-(thiolan-3-yl)imidazo[1,5-a]pyridine-7-carboxylic acid (PubChem CID 117251569) has the molecular formula C12H11ClN2O2S and a molecular weight of 282.75 g/mol. Its IUPAC name is 1-chloro-3-(thiolan-3-yl)imidazo[1,5-a]pyridine-7-carboxylic acid.

Molecular Properties

Compound Name1-chloro-3-(thiolan-3-yl)imidazo[1,5-a]pyridine-7-carboxylic acid
PubChem CID117251569
Molecular FormulaC12H11ClN2O2S
Molecular Weight282.75 g/mol
Exact Mass282.02
IUPAC Name1-chloro-3-(thiolan-3-yl)imidazo[1,5-a]pyridine-7-carboxylic acid
SMILESO=C(O)c1ccn2c(C3CCSC3)nc(Cl)c2c1
InChIInChI=1S/C12H11ClN2O2S/c13-10-9-5-7(12(16)17)1-3-15(9)11(14-10)8-2-4-18-6-8/h1,3,5,8H,2,4,6H2,(H,16,17)
InChIKeyJNKRYTCTBBZNDA-UHFFFAOYSA-N
XLogP2.91
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.75
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-chloro-3-(thian-4-yl)imidazo[1,5-a]pyridin-7-amine
CID 117251665
methyl 1-chloro-3-(1-methylpyrrolidin-3-yl)imidazo[1,5-a]pyridine-7-carboxylate
CID 117251573
1-chloro-3-(5-methylthiophen-2-yl)imidazo[1,5-a]pyridine-7-carboxylic acid
CID 117251715
1-chloro-3-phenylimidazo[1,5-a]pyridine-7-carboxylic acid
CID 83870930
3-(aminomethyl)-1-chloroimidazo[1,5-a]pyridine-7-carboxylic acid
CID 84740466
1-chloro-3-(thiolan-3-yl)imidazo[1,5-a]pyridin-5-ol
CID 117250297
1-bromo-3-piperidin-4-ylimidazo[1,5-a]pyridine-7-carboxylic acid
CID 84744774
1-bromo-7-methyl-3-(thiolan-3-yl)imidazo[1,5-a]pyridine
CID 117251630
3-pyrrolidin-3-ylimidazo[1,5-a]pyridine-1,7-dicarboxylic acid
CID 117251581
methyl 1-chloro-3-(thian-4-yl)imidazo[1,5-a]pyridine-6-carboxylate
CID 117251063
1-chloro-3-(4-fluorophenyl)imidazo[1,5-a]pyridine-7-carboxylic acid
CID 117251989
1-chloro-5-methyl-3-(thiolan-3-yl)imidazo[1,5-a]pyridine
CID 117250336

Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-(thiolan-3-yl)imidazo[1,5-a]pyridine-7-carboxylic acid?
The IUPAC name of 1-chloro-3-(thiolan-3-yl)imidazo[1,5-a]pyridine-7-carboxylic acid (CID 117251569) is 1-chloro-3-(thiolan-3-yl)imidazo[1,5-a]pyridine-7-carboxylic acid.
What is the SMILES notation for 1-chloro-3-(thiolan-3-yl)imidazo[1,5-a]pyridine-7-carboxylic acid?
The canonical SMILES for 1-chloro-3-(thiolan-3-yl)imidazo[1,5-a]pyridine-7-carboxylic acid is O=C(O)c1ccn2c(C3CCSC3)nc(Cl)c2c1.
What is the InChIKey of 1-chloro-3-(thiolan-3-yl)imidazo[1,5-a]pyridine-7-carboxylic acid?
The InChIKey is JNKRYTCTBBZNDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O2S/c13-10-9-5-7(12(16)17)1-3-15(9)11(14-10)8-2-4-18-6-8/h1,3,5,8H,2,4,6H2,(H,16,17).
What are the key properties of 1-chloro-3-(thiolan-3-yl)imidazo[1,5-a]pyridine-7-carboxylic acid?
1-chloro-3-(thiolan-3-yl)imidazo[1,5-a]pyridine-7-carboxylic acid has a molecular weight of 282.75 g/mol, XLogP of 2.91, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-(thiolan-3-yl)imidazo[1,5-a]pyridine-7-carboxylic acid is sourced from PubChem (CID 117251569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).