2-(2-methyloxolan-3-yl)sulfanylimidazo[1,2-a]pyridine-3-carboxylic acid

C13H14N2O3S — CID 107747175

IUPAC2-(2-methyloxolan-3-yl)sulfanylimidazo[1,2-a]pyridine-3-carboxylic acid
SMILESCC1OCCC1Sc1nc2ccccn2c1C(=O)O
InChIInChI=1S/C13H14N2O3S/c1-8-9(5-7-18-8)19-12-11(13(16)17)15-6-3-2-4-10(15)14-12/h2-4,6,8-9H,5,7H2,1H3,(H,16,17)
InChIKeyOCHOCFQGBOURMS-UHFFFAOYSA-N
MW278.33 g/mol
LogP2.30
Rot. Bonds3

About 2-(2-methyloxolan-3-yl)sulfanylimidazo[1,2-a]pyridine-3-carboxylic acid

2-(2-methyloxolan-3-yl)sulfanylimidazo[1,2-a]pyridine-3-carboxylic acid (PubChem CID 107747175) has the molecular formula C13H14N2O3S and a molecular weight of 278.33 g/mol. Its IUPAC name is 2-(2-methyloxolan-3-yl)sulfanylimidazo[1,2-a]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(2-methyloxolan-3-yl)sulfanylimidazo[1,2-a]pyridine-3-carboxylic acid
PubChem CID107747175
Molecular FormulaC13H14N2O3S
Molecular Weight278.33 g/mol
Exact Mass278.07
IUPAC Name2-(2-methyloxolan-3-yl)sulfanylimidazo[1,2-a]pyridine-3-carboxylic acid
SMILESCC1OCCC1Sc1nc2ccccn2c1C(=O)O
InChIInChI=1S/C13H14N2O3S/c1-8-9(5-7-18-8)19-12-11(13(16)17)15-6-3-2-4-10(15)14-12/h2-4,6,8-9H,5,7H2,1H3,(H,16,17)
InChIKeyOCHOCFQGBOURMS-UHFFFAOYSA-N
XLogP2.30
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2-methyloxolan-3-yl)amino]imidazo[1,2-a]pyridine-3-carboxylic acid
CID 82728706
2-propan-2-ylsulfanylimidazo[1,2-a]pyridine-3-carboxylic acid
CID 61358940
2-(4-methylpiperidin-1-yl)imidazo[1,2-a]pyridine-3-carboxylic acid
CID 43477803
2-butan-2-ylsulfanylimidazo[1,2-a]pyridine-3-carboxylic acid
CID 61357572
2-(3-methylpyrrolidin-1-yl)imidazo[1,2-a]pyridine-3-carboxylic acid
CID 61227192
2-[methyl(oxolan-2-ylmethyl)amino]imidazo[1,2-a]pyridine-3-carboxylic acid
CID 61432285
2-(3,4-dimethylphenyl)sulfanylimidazo[1,2-a]pyridine-3-carboxylic acid
CID 61360298
2-(cyclopropylamino)imidazo[1,2-a]pyridine-3-carboxylic acid
CID 61358153
2-(3-methoxypropylsulfanyl)imidazo[1,2-a]pyridine-3-carboxylic acid
CID 55259386
2-[3-(dimethylamino)pyrrolidin-1-yl]imidazo[1,2-a]pyridine-3-carboxylic acid
CID 63163885
2-(3-hydroxy-4-methylpiperidin-1-yl)imidazo[1,2-a]pyridine-3-carboxylic acid
CID 102958616
2-[(2-methylcyclopentyl)amino]imidazo[1,2-a]pyridine-3-carboxylic acid
CID 63279752

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyloxolan-3-yl)sulfanylimidazo[1,2-a]pyridine-3-carboxylic acid?
The IUPAC name of 2-(2-methyloxolan-3-yl)sulfanylimidazo[1,2-a]pyridine-3-carboxylic acid (CID 107747175) is 2-(2-methyloxolan-3-yl)sulfanylimidazo[1,2-a]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-(2-methyloxolan-3-yl)sulfanylimidazo[1,2-a]pyridine-3-carboxylic acid?
The canonical SMILES for 2-(2-methyloxolan-3-yl)sulfanylimidazo[1,2-a]pyridine-3-carboxylic acid is CC1OCCC1Sc1nc2ccccn2c1C(=O)O.
What is the InChIKey of 2-(2-methyloxolan-3-yl)sulfanylimidazo[1,2-a]pyridine-3-carboxylic acid?
The InChIKey is OCHOCFQGBOURMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3S/c1-8-9(5-7-18-8)19-12-11(13(16)17)15-6-3-2-4-10(15)14-12/h2-4,6,8-9H,5,7H2,1H3,(H,16,17).
What are the key properties of 2-(2-methyloxolan-3-yl)sulfanylimidazo[1,2-a]pyridine-3-carboxylic acid?
2-(2-methyloxolan-3-yl)sulfanylimidazo[1,2-a]pyridine-3-carboxylic acid has a molecular weight of 278.33 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyloxolan-3-yl)sulfanylimidazo[1,2-a]pyridine-3-carboxylic acid is sourced from PubChem (CID 107747175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).