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

C15H13NO3S — CID 175780449

IUPAC7-hydroxy-4-[(4-methoxyphenyl)methyl]thieno[3,2-b]pyridin-5-one
SMILESCOc1ccc(Cn2c(=O)cc(O)c3sccc32)cc1
InChIInChI=1S/C15H13NO3S/c1-19-11-4-2-10(3-5-11)9-16-12-6-7-20-15(12)13(17)8-14(16)18/h2-8,17H,9H2,1H3
InChIKeyNELXUYOYUDANGP-UHFFFAOYSA-N
MW287.34 g/mol
LogP2.83
Rot. Bonds3

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

7-hydroxy-4-[(4-methoxyphenyl)methyl]thieno[3,2-b]pyridin-5-one (PubChem CID 175780449) has the molecular formula C15H13NO3S and a molecular weight of 287.34 g/mol. Its IUPAC name is 7-hydroxy-4-[(4-methoxyphenyl)methyl]thieno[3,2-b]pyridin-5-one.

Molecular Properties

Compound Name7-hydroxy-4-[(4-methoxyphenyl)methyl]thieno[3,2-b]pyridin-5-one
PubChem CID175780449
Molecular FormulaC15H13NO3S
Molecular Weight287.34 g/mol
Exact Mass287.06
IUPAC Name7-hydroxy-4-[(4-methoxyphenyl)methyl]thieno[3,2-b]pyridin-5-one
SMILESCOc1ccc(Cn2c(=O)cc(O)c3sccc32)cc1
InChIInChI=1S/C15H13NO3S/c1-19-11-4-2-10(3-5-11)9-16-12-6-7-20-15(12)13(17)8-14(16)18/h2-8,17H,9H2,1H3
InChIKeyNELXUYOYUDANGP-UHFFFAOYSA-N
XLogP2.83
TPSA51.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-4-[(4-methoxyphenyl)methyl]thieno[3,2-b]pyridin-5-one?
The IUPAC name of 7-hydroxy-4-[(4-methoxyphenyl)methyl]thieno[3,2-b]pyridin-5-one (CID 175780449) is 7-hydroxy-4-[(4-methoxyphenyl)methyl]thieno[3,2-b]pyridin-5-one.
What is the SMILES notation for 7-hydroxy-4-[(4-methoxyphenyl)methyl]thieno[3,2-b]pyridin-5-one?
The canonical SMILES for 7-hydroxy-4-[(4-methoxyphenyl)methyl]thieno[3,2-b]pyridin-5-one is COc1ccc(Cn2c(=O)cc(O)c3sccc32)cc1.
What is the InChIKey of 7-hydroxy-4-[(4-methoxyphenyl)methyl]thieno[3,2-b]pyridin-5-one?
The InChIKey is NELXUYOYUDANGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO3S/c1-19-11-4-2-10(3-5-11)9-16-12-6-7-20-15(12)13(17)8-14(16)18/h2-8,17H,9H2,1H3.
What are the key properties of 7-hydroxy-4-[(4-methoxyphenyl)methyl]thieno[3,2-b]pyridin-5-one?
7-hydroxy-4-[(4-methoxyphenyl)methyl]thieno[3,2-b]pyridin-5-one has a molecular weight of 287.34 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-4-[(4-methoxyphenyl)methyl]thieno[3,2-b]pyridin-5-one is sourced from PubChem (CID 175780449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).