4-hydroxy-5-(3-methoxyphenyl)-3-phenyl-7H-thieno[2,3-b]pyridin-6-one

C20H15NO3S — CID 54729532

IUPAC4-hydroxy-5-(3-methoxyphenyl)-3-phenyl-7H-thieno[2,3-b]pyridin-6-one
SMILESCOc1cccc(-c2c(O)c3c(-c4ccccc4)csc3[nH]c2=O)c1
InChIInChI=1S/C20H15NO3S/c1-24-14-9-5-8-13(10-14)16-18(22)17-15(12-6-3-2-4-7-12)11-25-20(17)21-19(16)23/h2-11H,1H3,(H2,21,22,23)
InChIKeyCXNQAIQLRJAXQL-UHFFFAOYSA-N
MW349.41 g/mol
LogP4.64
Rot. Bonds3

About 4-hydroxy-5-(3-methoxyphenyl)-3-phenyl-7H-thieno[2,3-b]pyridin-6-one

4-hydroxy-5-(3-methoxyphenyl)-3-phenyl-7H-thieno[2,3-b]pyridin-6-one (PubChem CID 54729532) has the molecular formula C20H15NO3S and a molecular weight of 349.41 g/mol. Its IUPAC name is 4-hydroxy-5-(3-methoxyphenyl)-3-phenyl-7H-thieno[2,3-b]pyridin-6-one.

Molecular Properties

Compound Name4-hydroxy-5-(3-methoxyphenyl)-3-phenyl-7H-thieno[2,3-b]pyridin-6-one
PubChem CID54729532
Molecular FormulaC20H15NO3S
Molecular Weight349.41 g/mol
Exact Mass349.08
IUPAC Name4-hydroxy-5-(3-methoxyphenyl)-3-phenyl-7H-thieno[2,3-b]pyridin-6-one
SMILESCOc1cccc(-c2c(O)c3c(-c4ccccc4)csc3[nH]c2=O)c1
InChIInChI=1S/C20H15NO3S/c1-24-14-9-5-8-13(10-14)16-18(22)17-15(12-6-3-2-4-7-12)11-25-20(17)21-19(16)23/h2-11H,1H3,(H2,21,22,23)
InChIKeyCXNQAIQLRJAXQL-UHFFFAOYSA-N
XLogP4.64
TPSA62.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-hydroxy-5-(3-methoxyphenyl)-3-phenyl-7H-thieno[2,3-b]pyridin-6-one 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-5-(3-methoxyphenyl)-3-phenyl-7H-thieno[2,3-b]pyridin-6-one?
The IUPAC name of 4-hydroxy-5-(3-methoxyphenyl)-3-phenyl-7H-thieno[2,3-b]pyridin-6-one (CID 54729532) is 4-hydroxy-5-(3-methoxyphenyl)-3-phenyl-7H-thieno[2,3-b]pyridin-6-one.
What is the SMILES notation for 4-hydroxy-5-(3-methoxyphenyl)-3-phenyl-7H-thieno[2,3-b]pyridin-6-one?
The canonical SMILES for 4-hydroxy-5-(3-methoxyphenyl)-3-phenyl-7H-thieno[2,3-b]pyridin-6-one is COc1cccc(-c2c(O)c3c(-c4ccccc4)csc3[nH]c2=O)c1.
What is the InChIKey of 4-hydroxy-5-(3-methoxyphenyl)-3-phenyl-7H-thieno[2,3-b]pyridin-6-one?
The InChIKey is CXNQAIQLRJAXQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15NO3S/c1-24-14-9-5-8-13(10-14)16-18(22)17-15(12-6-3-2-4-7-12)11-25-20(17)21-19(16)23/h2-11H,1H3,(H2,21,22,23).
What are the key properties of 4-hydroxy-5-(3-methoxyphenyl)-3-phenyl-7H-thieno[2,3-b]pyridin-6-one?
4-hydroxy-5-(3-methoxyphenyl)-3-phenyl-7H-thieno[2,3-b]pyridin-6-one has a molecular weight of 349.41 g/mol, XLogP of 4.64, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-5-(3-methoxyphenyl)-3-phenyl-7H-thieno[2,3-b]pyridin-6-one is sourced from PubChem (CID 54729532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).