(2R,3S,5R)-2-(hydroxymethyl)-5-(7-thiophen-2-ylimidazo[4,5-b]pyridin-3-yl)oxolan-3-ol

C15H15N3O3S — CID 11515217

IUPAC(2R,3S,5R)-2-(hydroxymethyl)-5-(7-thiophen-2-ylimidazo[4,5-b]pyridin-3-yl)oxolan-3-ol
SMILESOC[C@H]1O[C@@H](n2cnc3c(-c4cccs4)ccnc32)C[C@@H]1O
InChIInChI=1S/C15H15N3O3S/c19-7-11-10(20)6-13(21-11)18-8-17-14-9(3-4-16-15(14)18)12-2-1-5-22-12/h1-5,8,10-11,13,19-20H,6-7H2/t10-,11+,13+/m0/s1
InChIKeyAKZXSZZHNLLUSB-DMDPSCGWSA-N
MW317.37 g/mol
LogP1.80
Rot. Bonds3

About (2R,3S,5R)-2-(hydroxymethyl)-5-(7-thiophen-2-ylimidazo[4,5-b]pyridin-3-yl)oxolan-3-ol

(2R,3S,5R)-2-(hydroxymethyl)-5-(7-thiophen-2-ylimidazo[4,5-b]pyridin-3-yl)oxolan-3-ol (PubChem CID 11515217) has the molecular formula C15H15N3O3S and a molecular weight of 317.37 g/mol. Its IUPAC name is (2R,3S,5R)-2-(hydroxymethyl)-5-(7-thiophen-2-ylimidazo[4,5-b]pyridin-3-yl)oxolan-3-ol.

Molecular Properties

Compound Name(2R,3S,5R)-2-(hydroxymethyl)-5-(7-thiophen-2-ylimidazo[4,5-b]pyridin-3-yl)oxolan-3-ol
PubChem CID11515217
Molecular FormulaC15H15N3O3S
Molecular Weight317.37 g/mol
Exact Mass317.08
IUPAC Name(2R,3S,5R)-2-(hydroxymethyl)-5-(7-thiophen-2-ylimidazo[4,5-b]pyridin-3-yl)oxolan-3-ol
SMILESOC[C@H]1O[C@@H](n2cnc3c(-c4cccs4)ccnc32)C[C@@H]1O
InChIInChI=1S/C15H15N3O3S/c19-7-11-10(20)6-13(21-11)18-8-17-14-9(3-4-16-15(14)18)12-2-1-5-22-12/h1-5,8,10-11,13,19-20H,6-7H2/t10-,11+,13+/m0/s1
InChIKeyAKZXSZZHNLLUSB-DMDPSCGWSA-N
XLogP1.80
TPSA80.40 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.37
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (2R,3S,5R)-2-(hydroxymethyl)-5-(7-thiophen-2-ylimidazo[4,5-b]pyridin-3-yl)oxolan-3-ol?
The IUPAC name of (2R,3S,5R)-2-(hydroxymethyl)-5-(7-thiophen-2-ylimidazo[4,5-b]pyridin-3-yl)oxolan-3-ol (CID 11515217) is (2R,3S,5R)-2-(hydroxymethyl)-5-(7-thiophen-2-ylimidazo[4,5-b]pyridin-3-yl)oxolan-3-ol.
What is the SMILES notation for (2R,3S,5R)-2-(hydroxymethyl)-5-(7-thiophen-2-ylimidazo[4,5-b]pyridin-3-yl)oxolan-3-ol?
The canonical SMILES for (2R,3S,5R)-2-(hydroxymethyl)-5-(7-thiophen-2-ylimidazo[4,5-b]pyridin-3-yl)oxolan-3-ol is OC[C@H]1O[C@@H](n2cnc3c(-c4cccs4)ccnc32)C[C@@H]1O.
What is the InChIKey of (2R,3S,5R)-2-(hydroxymethyl)-5-(7-thiophen-2-ylimidazo[4,5-b]pyridin-3-yl)oxolan-3-ol?
The InChIKey is AKZXSZZHNLLUSB-DMDPSCGWSA-N. The full InChI is InChI=1S/C15H15N3O3S/c19-7-11-10(20)6-13(21-11)18-8-17-14-9(3-4-16-15(14)18)12-2-1-5-22-12/h1-5,8,10-11,13,19-20H,6-7H2/t10-,11+,13+/m0/s1.
What are the key properties of (2R,3S,5R)-2-(hydroxymethyl)-5-(7-thiophen-2-ylimidazo[4,5-b]pyridin-3-yl)oxolan-3-ol?
(2R,3S,5R)-2-(hydroxymethyl)-5-(7-thiophen-2-ylimidazo[4,5-b]pyridin-3-yl)oxolan-3-ol has a molecular weight of 317.37 g/mol, XLogP of 1.80, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,5R)-2-(hydroxymethyl)-5-(7-thiophen-2-ylimidazo[4,5-b]pyridin-3-yl)oxolan-3-ol is sourced from PubChem (CID 11515217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).