2-[3-(2-methyloxolan-3-yl)imidazo[4,5-b]pyridin-2-yl]sulfanylacetic acid

C13H15N3O3S — CID 82728858

IUPAC2-[3-(2-methyloxolan-3-yl)imidazo[4,5-b]pyridin-2-yl]sulfanylacetic acid
SMILESCC1OCCC1n1c(SCC(=O)O)nc2cccnc21
InChIInChI=1S/C13H15N3O3S/c1-8-10(4-6-19-8)16-12-9(3-2-5-14-12)15-13(16)20-7-11(17)18/h2-3,5,8,10H,4,6-7H2,1H3,(H,17,18)
InChIKeySTWVQQADLYORJL-UHFFFAOYSA-N
MW293.35 g/mol
LogP1.96
Rot. Bonds4

About 2-[3-(2-methyloxolan-3-yl)imidazo[4,5-b]pyridin-2-yl]sulfanylacetic acid

2-[3-(2-methyloxolan-3-yl)imidazo[4,5-b]pyridin-2-yl]sulfanylacetic acid (PubChem CID 82728858) has the molecular formula C13H15N3O3S and a molecular weight of 293.35 g/mol. Its IUPAC name is 2-[3-(2-methyloxolan-3-yl)imidazo[4,5-b]pyridin-2-yl]sulfanylacetic acid.

Molecular Properties

Compound Name2-[3-(2-methyloxolan-3-yl)imidazo[4,5-b]pyridin-2-yl]sulfanylacetic acid
PubChem CID82728858
Molecular FormulaC13H15N3O3S
Molecular Weight293.35 g/mol
Exact Mass293.08
IUPAC Name2-[3-(2-methyloxolan-3-yl)imidazo[4,5-b]pyridin-2-yl]sulfanylacetic acid
SMILESCC1OCCC1n1c(SCC(=O)O)nc2cccnc21
InChIInChI=1S/C13H15N3O3S/c1-8-10(4-6-19-8)16-12-9(3-2-5-14-12)15-13(16)20-7-11(17)18/h2-3,5,8,10H,4,6-7H2,1H3,(H,17,18)
InChIKeySTWVQQADLYORJL-UHFFFAOYSA-N
XLogP1.96
TPSA77.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.35
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Ethyl 2-(3-methylimidazo[4,5-b]pyridin-2-yl)sulfanylacetate
CID 3214182
N-cyclopentyl-2-[3-(2-methoxyethyl)imidazo[4,5-b]pyridin-2-yl]sulfanylacetamide
CID 3214251
{[(3-cyclohexyl-3H-imidazo[4,5-b]pyridin-2-yl)methyl]thio}acetic acid
CID 20955361
2-[3-(2-Methoxy-ethyl)-3H-imidazo[4,5-b]pyridin-2-ylsulfanyl]-1-piperidin-1-yl-ethanone
CID 647725
Ethyl 2-[[2-(3-methylimidazo[4,5-b]pyridin-2-yl)sulfanylacetyl]amino]acetate
CID 653391
(3-Cyclohexyl-3H-imidazo[4,5-b]pyridin-2-ylsulfanyl)-acetic acid isopropyl ester
CID 656322
[2-(3-Ethyl-3H-imidazo[4,5-b]pyridin-2-ylsulfanyl)-acetylamino]-acetic acid ethyl ester
CID 3214225
[3-(4-Fluoro-phenyl)-3H-imidazo[4,5-b]pyridin-2-ylsulfanyl]-acetic acid isopropyl ester
CID 3214227
ethyl 2-{[3-methyl-6-(trifluoromethyl)-3H-imidazo[4,5-b]pyridin-2-yl]thio}acetate
CID 2745077
propan-2-yl (1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)acetate
CID 665801
methyl 2-((3H-imidazo[4,5-b]pyridin-2-yl)thio)acetate
CID 3694814
[2-(3-Cyclohexyl-3H-imidazo[4,5-b]pyridin-2-ylsulfanyl)-acetylamino]-acetic acid ethyl ester
CID 645427

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-methyloxolan-3-yl)imidazo[4,5-b]pyridin-2-yl]sulfanylacetic acid?
The IUPAC name of 2-[3-(2-methyloxolan-3-yl)imidazo[4,5-b]pyridin-2-yl]sulfanylacetic acid (CID 82728858) is 2-[3-(2-methyloxolan-3-yl)imidazo[4,5-b]pyridin-2-yl]sulfanylacetic acid.
What is the SMILES notation for 2-[3-(2-methyloxolan-3-yl)imidazo[4,5-b]pyridin-2-yl]sulfanylacetic acid?
The canonical SMILES for 2-[3-(2-methyloxolan-3-yl)imidazo[4,5-b]pyridin-2-yl]sulfanylacetic acid is CC1OCCC1n1c(SCC(=O)O)nc2cccnc21.
What is the InChIKey of 2-[3-(2-methyloxolan-3-yl)imidazo[4,5-b]pyridin-2-yl]sulfanylacetic acid?
The InChIKey is STWVQQADLYORJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3S/c1-8-10(4-6-19-8)16-12-9(3-2-5-14-12)15-13(16)20-7-11(17)18/h2-3,5,8,10H,4,6-7H2,1H3,(H,17,18).
What are the key properties of 2-[3-(2-methyloxolan-3-yl)imidazo[4,5-b]pyridin-2-yl]sulfanylacetic acid?
2-[3-(2-methyloxolan-3-yl)imidazo[4,5-b]pyridin-2-yl]sulfanylacetic acid has a molecular weight of 293.35 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-methyloxolan-3-yl)imidazo[4,5-b]pyridin-2-yl]sulfanylacetic acid is sourced from PubChem (CID 82728858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).