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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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).