6-hydroxy-5-oxo-4-[(4-phenoxyphenyl)methyl]thieno[3,2-b]pyridine-7-carboxylic acid

C21H15NO5S — CID 138512817

IUPAC6-hydroxy-5-oxo-4-[(4-phenoxyphenyl)methyl]thieno[3,2-b]pyridine-7-carboxylic acid
SMILESO=C(O)c1c(O)c(=O)n(Cc2ccc(Oc3ccccc3)cc2)c2ccsc12
InChIInChI=1S/C21H15NO5S/c23-18-17(21(25)26)19-16(10-11-28-19)22(20(18)24)12-13-6-8-15(9-7-13)27-14-4-2-1-3-5-14/h1-11,23H,12H2,(H,25,26)
InChIKeyISARGSGGYROCTN-UHFFFAOYSA-N
MW393.42 g/mol
LogP4.31
Rot. Bonds5

About 6-hydroxy-5-oxo-4-[(4-phenoxyphenyl)methyl]thieno[3,2-b]pyridine-7-carboxylic acid

6-hydroxy-5-oxo-4-[(4-phenoxyphenyl)methyl]thieno[3,2-b]pyridine-7-carboxylic acid (PubChem CID 138512817) has the molecular formula C21H15NO5S and a molecular weight of 393.42 g/mol. Its IUPAC name is 6-hydroxy-5-oxo-4-[(4-phenoxyphenyl)methyl]thieno[3,2-b]pyridine-7-carboxylic acid.

Molecular Properties

Compound Name6-hydroxy-5-oxo-4-[(4-phenoxyphenyl)methyl]thieno[3,2-b]pyridine-7-carboxylic acid
PubChem CID138512817
Molecular FormulaC21H15NO5S
Molecular Weight393.42 g/mol
Exact Mass393.07
IUPAC Name6-hydroxy-5-oxo-4-[(4-phenoxyphenyl)methyl]thieno[3,2-b]pyridine-7-carboxylic acid
SMILESO=C(O)c1c(O)c(=O)n(Cc2ccc(Oc3ccccc3)cc2)c2ccsc12
InChIInChI=1S/C21H15NO5S/c23-18-17(21(25)26)19-16(10-11-28-19)22(20(18)24)12-13-6-8-15(9-7-13)27-14-4-2-1-3-5-14/h1-11,23H,12H2,(H,25,26)
InChIKeyISARGSGGYROCTN-UHFFFAOYSA-N
XLogP4.31
TPSA88.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.42
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-5-oxo-4-[(4-phenoxyphenyl)methyl]thieno[3,2-b]pyridine-7-carboxylic acid?
The IUPAC name of 6-hydroxy-5-oxo-4-[(4-phenoxyphenyl)methyl]thieno[3,2-b]pyridine-7-carboxylic acid (CID 138512817) is 6-hydroxy-5-oxo-4-[(4-phenoxyphenyl)methyl]thieno[3,2-b]pyridine-7-carboxylic acid.
What is the SMILES notation for 6-hydroxy-5-oxo-4-[(4-phenoxyphenyl)methyl]thieno[3,2-b]pyridine-7-carboxylic acid?
The canonical SMILES for 6-hydroxy-5-oxo-4-[(4-phenoxyphenyl)methyl]thieno[3,2-b]pyridine-7-carboxylic acid is O=C(O)c1c(O)c(=O)n(Cc2ccc(Oc3ccccc3)cc2)c2ccsc12.
What is the InChIKey of 6-hydroxy-5-oxo-4-[(4-phenoxyphenyl)methyl]thieno[3,2-b]pyridine-7-carboxylic acid?
The InChIKey is ISARGSGGYROCTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15NO5S/c23-18-17(21(25)26)19-16(10-11-28-19)22(20(18)24)12-13-6-8-15(9-7-13)27-14-4-2-1-3-5-14/h1-11,23H,12H2,(H,25,26).
What are the key properties of 6-hydroxy-5-oxo-4-[(4-phenoxyphenyl)methyl]thieno[3,2-b]pyridine-7-carboxylic acid?
6-hydroxy-5-oxo-4-[(4-phenoxyphenyl)methyl]thieno[3,2-b]pyridine-7-carboxylic acid has a molecular weight of 393.42 g/mol, XLogP of 4.31, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-5-oxo-4-[(4-phenoxyphenyl)methyl]thieno[3,2-b]pyridine-7-carboxylic acid is sourced from PubChem (CID 138512817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).