6-hydroxy-4-(imidazo[1,2-a]pyridin-3-ylmethyl)-5-oxothieno[3,2-b]pyridine-7-carboxylic acid

C16H11N3O4S — CID 138512773

IUPAC6-hydroxy-4-(imidazo[1,2-a]pyridin-3-ylmethyl)-5-oxothieno[3,2-b]pyridine-7-carboxylic acid
SMILESO=C(O)c1c(O)c(=O)n(Cc2cnc3ccccn23)c2ccsc12
InChIInChI=1S/C16H11N3O4S/c20-13-12(16(22)23)14-10(4-6-24-14)19(15(13)21)8-9-7-17-11-3-1-2-5-18(9)11/h1-7,20H,8H2,(H,22,23)
InChIKeyJCSTVFSRRQTPPZ-UHFFFAOYSA-N
MW341.35 g/mol
LogP2.16
Rot. Bonds3

About 6-hydroxy-4-(imidazo[1,2-a]pyridin-3-ylmethyl)-5-oxothieno[3,2-b]pyridine-7-carboxylic acid

6-hydroxy-4-(imidazo[1,2-a]pyridin-3-ylmethyl)-5-oxothieno[3,2-b]pyridine-7-carboxylic acid (PubChem CID 138512773) has the molecular formula C16H11N3O4S and a molecular weight of 341.35 g/mol. Its IUPAC name is 6-hydroxy-4-(imidazo[1,2-a]pyridin-3-ylmethyl)-5-oxothieno[3,2-b]pyridine-7-carboxylic acid.

Molecular Properties

Compound Name6-hydroxy-4-(imidazo[1,2-a]pyridin-3-ylmethyl)-5-oxothieno[3,2-b]pyridine-7-carboxylic acid
PubChem CID138512773
Molecular FormulaC16H11N3O4S
Molecular Weight341.35 g/mol
Exact Mass341.05
IUPAC Name6-hydroxy-4-(imidazo[1,2-a]pyridin-3-ylmethyl)-5-oxothieno[3,2-b]pyridine-7-carboxylic acid
SMILESO=C(O)c1c(O)c(=O)n(Cc2cnc3ccccn23)c2ccsc12
InChIInChI=1S/C16H11N3O4S/c20-13-12(16(22)23)14-10(4-6-24-14)19(15(13)21)8-9-7-17-11-3-1-2-5-18(9)11/h1-7,20H,8H2,(H,22,23)
InChIKeyJCSTVFSRRQTPPZ-UHFFFAOYSA-N
XLogP2.16
TPSA96.83 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.35
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-4-(imidazo[1,2-a]pyridin-3-ylmethyl)-5-oxothieno[3,2-b]pyridine-7-carboxylic acid?
The IUPAC name of 6-hydroxy-4-(imidazo[1,2-a]pyridin-3-ylmethyl)-5-oxothieno[3,2-b]pyridine-7-carboxylic acid (CID 138512773) is 6-hydroxy-4-(imidazo[1,2-a]pyridin-3-ylmethyl)-5-oxothieno[3,2-b]pyridine-7-carboxylic acid.
What is the SMILES notation for 6-hydroxy-4-(imidazo[1,2-a]pyridin-3-ylmethyl)-5-oxothieno[3,2-b]pyridine-7-carboxylic acid?
The canonical SMILES for 6-hydroxy-4-(imidazo[1,2-a]pyridin-3-ylmethyl)-5-oxothieno[3,2-b]pyridine-7-carboxylic acid is O=C(O)c1c(O)c(=O)n(Cc2cnc3ccccn23)c2ccsc12.
What is the InChIKey of 6-hydroxy-4-(imidazo[1,2-a]pyridin-3-ylmethyl)-5-oxothieno[3,2-b]pyridine-7-carboxylic acid?
The InChIKey is JCSTVFSRRQTPPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N3O4S/c20-13-12(16(22)23)14-10(4-6-24-14)19(15(13)21)8-9-7-17-11-3-1-2-5-18(9)11/h1-7,20H,8H2,(H,22,23).
What are the key properties of 6-hydroxy-4-(imidazo[1,2-a]pyridin-3-ylmethyl)-5-oxothieno[3,2-b]pyridine-7-carboxylic acid?
6-hydroxy-4-(imidazo[1,2-a]pyridin-3-ylmethyl)-5-oxothieno[3,2-b]pyridine-7-carboxylic acid has a molecular weight of 341.35 g/mol, XLogP of 2.16, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-4-(imidazo[1,2-a]pyridin-3-ylmethyl)-5-oxothieno[3,2-b]pyridine-7-carboxylic acid is sourced from PubChem (CID 138512773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).