6-hydroxy-5-oxo-4-[[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methyl]thieno[3,2-b]pyridine-7-carboxylic acid

C14H10F3N3O4S — CID 138512791

IUPAC6-hydroxy-5-oxo-4-[[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methyl]thieno[3,2-b]pyridine-7-carboxylic acid
SMILESO=C(O)c1c(O)c(=O)n(Cc2cnn(CC(F)(F)F)c2)c2ccsc12
InChIInChI=1S/C14H10F3N3O4S/c15-14(16,17)6-19-4-7(3-18-19)5-20-8-1-2-25-11(8)9(13(23)24)10(21)12(20)22/h1-4,21H,5-6H2,(H,23,24)
InChIKeyGEJUKIIUKRJSMD-UHFFFAOYSA-N
MW373.31 g/mol
LogP2.27
Rot. Bonds4

About 6-hydroxy-5-oxo-4-[[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methyl]thieno[3,2-b]pyridine-7-carboxylic acid

6-hydroxy-5-oxo-4-[[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methyl]thieno[3,2-b]pyridine-7-carboxylic acid (PubChem CID 138512791) has the molecular formula C14H10F3N3O4S and a molecular weight of 373.31 g/mol. Its IUPAC name is 6-hydroxy-5-oxo-4-[[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methyl]thieno[3,2-b]pyridine-7-carboxylic acid.

Molecular Properties

Compound Name6-hydroxy-5-oxo-4-[[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methyl]thieno[3,2-b]pyridine-7-carboxylic acid
PubChem CID138512791
Molecular FormulaC14H10F3N3O4S
Molecular Weight373.31 g/mol
Exact Mass373.03
IUPAC Name6-hydroxy-5-oxo-4-[[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methyl]thieno[3,2-b]pyridine-7-carboxylic acid
SMILESO=C(O)c1c(O)c(=O)n(Cc2cnn(CC(F)(F)F)c2)c2ccsc12
InChIInChI=1S/C14H10F3N3O4S/c15-14(16,17)6-19-4-7(3-18-19)5-20-8-1-2-25-11(8)9(13(23)24)10(21)12(20)22/h1-4,21H,5-6H2,(H,23,24)
InChIKeyGEJUKIIUKRJSMD-UHFFFAOYSA-N
XLogP2.27
TPSA97.35 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.31
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-5-oxo-4-[[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methyl]thieno[3,2-b]pyridine-7-carboxylic acid?
The IUPAC name of 6-hydroxy-5-oxo-4-[[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methyl]thieno[3,2-b]pyridine-7-carboxylic acid (CID 138512791) is 6-hydroxy-5-oxo-4-[[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methyl]thieno[3,2-b]pyridine-7-carboxylic acid.
What is the SMILES notation for 6-hydroxy-5-oxo-4-[[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methyl]thieno[3,2-b]pyridine-7-carboxylic acid?
The canonical SMILES for 6-hydroxy-5-oxo-4-[[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methyl]thieno[3,2-b]pyridine-7-carboxylic acid is O=C(O)c1c(O)c(=O)n(Cc2cnn(CC(F)(F)F)c2)c2ccsc12.
What is the InChIKey of 6-hydroxy-5-oxo-4-[[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methyl]thieno[3,2-b]pyridine-7-carboxylic acid?
The InChIKey is GEJUKIIUKRJSMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3N3O4S/c15-14(16,17)6-19-4-7(3-18-19)5-20-8-1-2-25-11(8)9(13(23)24)10(21)12(20)22/h1-4,21H,5-6H2,(H,23,24).
What are the key properties of 6-hydroxy-5-oxo-4-[[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methyl]thieno[3,2-b]pyridine-7-carboxylic acid?
6-hydroxy-5-oxo-4-[[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methyl]thieno[3,2-b]pyridine-7-carboxylic acid has a molecular weight of 373.31 g/mol, XLogP of 2.27, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-5-oxo-4-[[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methyl]thieno[3,2-b]pyridine-7-carboxylic acid is sourced from PubChem (CID 138512791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).