4-hydroxy-6-oxo-3-(5-pyridin-4-ylthiophen-2-yl)-7H-thieno[2,3-b]pyridine-5-carbonitrile

C17H9N3O2S2 — CID 54678069

IUPAC4-hydroxy-6-oxo-3-(5-pyridin-4-ylthiophen-2-yl)-7H-thieno[2,3-b]pyridine-5-carbonitrile
SMILESN#Cc1c(O)c2c(-c3ccc(-c4ccncc4)s3)csc2[nH]c1=O
InChIInChI=1S/C17H9N3O2S2/c18-7-10-15(21)14-11(8-23-17(14)20-16(10)22)13-2-1-12(24-13)9-3-5-19-6-4-9/h1-6,8H,(H2,20,21,22)
InChIKeyKUWYJNXYBKVNBY-UHFFFAOYSA-N
MW351.41 g/mol
LogP3.96
Rot. Bonds2

About 4-hydroxy-6-oxo-3-(5-pyridin-4-ylthiophen-2-yl)-7H-thieno[2,3-b]pyridine-5-carbonitrile

4-hydroxy-6-oxo-3-(5-pyridin-4-ylthiophen-2-yl)-7H-thieno[2,3-b]pyridine-5-carbonitrile (PubChem CID 54678069) has the molecular formula C17H9N3O2S2 and a molecular weight of 351.41 g/mol. Its IUPAC name is 4-hydroxy-6-oxo-3-(5-pyridin-4-ylthiophen-2-yl)-7H-thieno[2,3-b]pyridine-5-carbonitrile.

Molecular Properties

Compound Name4-hydroxy-6-oxo-3-(5-pyridin-4-ylthiophen-2-yl)-7H-thieno[2,3-b]pyridine-5-carbonitrile
PubChem CID54678069
Molecular FormulaC17H9N3O2S2
Molecular Weight351.41 g/mol
Exact Mass351.01
IUPAC Name4-hydroxy-6-oxo-3-(5-pyridin-4-ylthiophen-2-yl)-7H-thieno[2,3-b]pyridine-5-carbonitrile
SMILESN#Cc1c(O)c2c(-c3ccc(-c4ccncc4)s3)csc2[nH]c1=O
InChIInChI=1S/C17H9N3O2S2/c18-7-10-15(21)14-11(8-23-17(14)20-16(10)22)13-2-1-12(24-13)9-3-5-19-6-4-9/h1-6,8H,(H2,20,21,22)
InChIKeyKUWYJNXYBKVNBY-UHFFFAOYSA-N
XLogP3.96
TPSA89.77 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-hydroxy-6-oxo-3-(5-pyridin-4-ylthiophen-2-yl)-7H-thieno[2,3-b]pyridine-5-carbonitrile 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 4-hydroxy-6-oxo-3-(5-pyridin-4-ylthiophen-2-yl)-7H-thieno[2,3-b]pyridine-5-carbonitrile?
The IUPAC name of 4-hydroxy-6-oxo-3-(5-pyridin-4-ylthiophen-2-yl)-7H-thieno[2,3-b]pyridine-5-carbonitrile (CID 54678069) is 4-hydroxy-6-oxo-3-(5-pyridin-4-ylthiophen-2-yl)-7H-thieno[2,3-b]pyridine-5-carbonitrile.
What is the SMILES notation for 4-hydroxy-6-oxo-3-(5-pyridin-4-ylthiophen-2-yl)-7H-thieno[2,3-b]pyridine-5-carbonitrile?
The canonical SMILES for 4-hydroxy-6-oxo-3-(5-pyridin-4-ylthiophen-2-yl)-7H-thieno[2,3-b]pyridine-5-carbonitrile is N#Cc1c(O)c2c(-c3ccc(-c4ccncc4)s3)csc2[nH]c1=O.
What is the InChIKey of 4-hydroxy-6-oxo-3-(5-pyridin-4-ylthiophen-2-yl)-7H-thieno[2,3-b]pyridine-5-carbonitrile?
The InChIKey is KUWYJNXYBKVNBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H9N3O2S2/c18-7-10-15(21)14-11(8-23-17(14)20-16(10)22)13-2-1-12(24-13)9-3-5-19-6-4-9/h1-6,8H,(H2,20,21,22).
What are the key properties of 4-hydroxy-6-oxo-3-(5-pyridin-4-ylthiophen-2-yl)-7H-thieno[2,3-b]pyridine-5-carbonitrile?
4-hydroxy-6-oxo-3-(5-pyridin-4-ylthiophen-2-yl)-7H-thieno[2,3-b]pyridine-5-carbonitrile has a molecular weight of 351.41 g/mol, XLogP of 3.96, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-6-oxo-3-(5-pyridin-4-ylthiophen-2-yl)-7H-thieno[2,3-b]pyridine-5-carbonitrile is sourced from PubChem (CID 54678069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).