6-hydroxy-5-oxo-4-[(8-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)methyl]thieno[3,2-b]pyridine-7-carboxylic acid

C21H14N4O4S — CID 138506094

IUPAC6-hydroxy-5-oxo-4-[(8-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)methyl]thieno[3,2-b]pyridine-7-carboxylic acid
SMILESO=C(O)c1c(O)c(=O)n(Cc2cnc3c(-c4ccncc4)cccn23)c2ccsc12
InChIInChI=1S/C21H14N4O4S/c26-17-16(21(28)29)18-15(5-9-30-18)25(20(17)27)11-13-10-23-19-14(2-1-8-24(13)19)12-3-6-22-7-4-12/h1-10,26H,11H2,(H,28,29)
InChIKeyRQVKNLPAZVBZRR-UHFFFAOYSA-N
MW418.43 g/mol
LogP3.22
Rot. Bonds4

About 6-hydroxy-5-oxo-4-[(8-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)methyl]thieno[3,2-b]pyridine-7-carboxylic acid

6-hydroxy-5-oxo-4-[(8-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)methyl]thieno[3,2-b]pyridine-7-carboxylic acid (PubChem CID 138506094) has the molecular formula C21H14N4O4S and a molecular weight of 418.43 g/mol. Its IUPAC name is 6-hydroxy-5-oxo-4-[(8-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)methyl]thieno[3,2-b]pyridine-7-carboxylic acid.

Molecular Properties

Compound Name6-hydroxy-5-oxo-4-[(8-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)methyl]thieno[3,2-b]pyridine-7-carboxylic acid
PubChem CID138506094
Molecular FormulaC21H14N4O4S
Molecular Weight418.43 g/mol
Exact Mass418.07
IUPAC Name6-hydroxy-5-oxo-4-[(8-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)methyl]thieno[3,2-b]pyridine-7-carboxylic acid
SMILESO=C(O)c1c(O)c(=O)n(Cc2cnc3c(-c4ccncc4)cccn23)c2ccsc12
InChIInChI=1S/C21H14N4O4S/c26-17-16(21(28)29)18-15(5-9-30-18)25(20(17)27)11-13-10-23-19-14(2-1-8-24(13)19)12-3-6-22-7-4-12/h1-10,26H,11H2,(H,28,29)
InChIKeyRQVKNLPAZVBZRR-UHFFFAOYSA-N
XLogP3.22
TPSA109.72 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.43
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 6-hydroxy-5-oxo-4-[(8-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)methyl]thieno[3,2-b]pyridine-7-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-5-oxo-4-[(8-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)methyl]thieno[3,2-b]pyridine-7-carboxylic acid?
The IUPAC name of 6-hydroxy-5-oxo-4-[(8-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)methyl]thieno[3,2-b]pyridine-7-carboxylic acid (CID 138506094) is 6-hydroxy-5-oxo-4-[(8-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)methyl]thieno[3,2-b]pyridine-7-carboxylic acid.
What is the SMILES notation for 6-hydroxy-5-oxo-4-[(8-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)methyl]thieno[3,2-b]pyridine-7-carboxylic acid?
The canonical SMILES for 6-hydroxy-5-oxo-4-[(8-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)methyl]thieno[3,2-b]pyridine-7-carboxylic acid is O=C(O)c1c(O)c(=O)n(Cc2cnc3c(-c4ccncc4)cccn23)c2ccsc12.
What is the InChIKey of 6-hydroxy-5-oxo-4-[(8-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)methyl]thieno[3,2-b]pyridine-7-carboxylic acid?
The InChIKey is RQVKNLPAZVBZRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14N4O4S/c26-17-16(21(28)29)18-15(5-9-30-18)25(20(17)27)11-13-10-23-19-14(2-1-8-24(13)19)12-3-6-22-7-4-12/h1-10,26H,11H2,(H,28,29).
What are the key properties of 6-hydroxy-5-oxo-4-[(8-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)methyl]thieno[3,2-b]pyridine-7-carboxylic acid?
6-hydroxy-5-oxo-4-[(8-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)methyl]thieno[3,2-b]pyridine-7-carboxylic acid has a molecular weight of 418.43 g/mol, XLogP of 3.22, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-5-oxo-4-[(8-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)methyl]thieno[3,2-b]pyridine-7-carboxylic acid is sourced from PubChem (CID 138506094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).