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

C16H12N4O4S2 — CID 138512695

IUPAC6-hydroxy-5-oxo-4-[[1-(1,3-thiazol-5-ylmethyl)pyrazol-4-yl]methyl]thieno[3,2-b]pyridine-7-carboxylic acid
SMILESO=C(O)c1c(O)c(=O)n(Cc2cnn(Cc3cncs3)c2)c2ccsc12
InChIInChI=1S/C16H12N4O4S2/c21-13-12(16(23)24)14-11(1-2-25-14)20(15(13)22)6-9-3-18-19(5-9)7-10-4-17-8-26-10/h1-5,8,21H,6-7H2,(H,23,24)
InChIKeyLKCXMFXSSSELLC-UHFFFAOYSA-N
MW388.43 g/mol
LogP2.22
Rot. Bonds5

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

6-hydroxy-5-oxo-4-[[1-(1,3-thiazol-5-ylmethyl)pyrazol-4-yl]methyl]thieno[3,2-b]pyridine-7-carboxylic acid (PubChem CID 138512695) has the molecular formula C16H12N4O4S2 and a molecular weight of 388.43 g/mol. Its IUPAC name is 6-hydroxy-5-oxo-4-[[1-(1,3-thiazol-5-ylmethyl)pyrazol-4-yl]methyl]thieno[3,2-b]pyridine-7-carboxylic acid.

Molecular Properties

Compound Name6-hydroxy-5-oxo-4-[[1-(1,3-thiazol-5-ylmethyl)pyrazol-4-yl]methyl]thieno[3,2-b]pyridine-7-carboxylic acid
PubChem CID138512695
Molecular FormulaC16H12N4O4S2
Molecular Weight388.43 g/mol
Exact Mass388.03
IUPAC Name6-hydroxy-5-oxo-4-[[1-(1,3-thiazol-5-ylmethyl)pyrazol-4-yl]methyl]thieno[3,2-b]pyridine-7-carboxylic acid
SMILESO=C(O)c1c(O)c(=O)n(Cc2cnn(Cc3cncs3)c2)c2ccsc12
InChIInChI=1S/C16H12N4O4S2/c21-13-12(16(23)24)14-11(1-2-25-14)20(15(13)22)6-9-3-18-19(5-9)7-10-4-17-8-26-10/h1-5,8,21H,6-7H2,(H,23,24)
InChIKeyLKCXMFXSSSELLC-UHFFFAOYSA-N
XLogP2.22
TPSA110.24 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.43
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-5-oxo-4-[[1-(1,3-thiazol-5-ylmethyl)pyrazol-4-yl]methyl]thieno[3,2-b]pyridine-7-carboxylic acid?
The IUPAC name of 6-hydroxy-5-oxo-4-[[1-(1,3-thiazol-5-ylmethyl)pyrazol-4-yl]methyl]thieno[3,2-b]pyridine-7-carboxylic acid (CID 138512695) is 6-hydroxy-5-oxo-4-[[1-(1,3-thiazol-5-ylmethyl)pyrazol-4-yl]methyl]thieno[3,2-b]pyridine-7-carboxylic acid.
What is the SMILES notation for 6-hydroxy-5-oxo-4-[[1-(1,3-thiazol-5-ylmethyl)pyrazol-4-yl]methyl]thieno[3,2-b]pyridine-7-carboxylic acid?
The canonical SMILES for 6-hydroxy-5-oxo-4-[[1-(1,3-thiazol-5-ylmethyl)pyrazol-4-yl]methyl]thieno[3,2-b]pyridine-7-carboxylic acid is O=C(O)c1c(O)c(=O)n(Cc2cnn(Cc3cncs3)c2)c2ccsc12.
What is the InChIKey of 6-hydroxy-5-oxo-4-[[1-(1,3-thiazol-5-ylmethyl)pyrazol-4-yl]methyl]thieno[3,2-b]pyridine-7-carboxylic acid?
The InChIKey is LKCXMFXSSSELLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4O4S2/c21-13-12(16(23)24)14-11(1-2-25-14)20(15(13)22)6-9-3-18-19(5-9)7-10-4-17-8-26-10/h1-5,8,21H,6-7H2,(H,23,24).
What are the key properties of 6-hydroxy-5-oxo-4-[[1-(1,3-thiazol-5-ylmethyl)pyrazol-4-yl]methyl]thieno[3,2-b]pyridine-7-carboxylic acid?
6-hydroxy-5-oxo-4-[[1-(1,3-thiazol-5-ylmethyl)pyrazol-4-yl]methyl]thieno[3,2-b]pyridine-7-carboxylic acid has a molecular weight of 388.43 g/mol, XLogP of 2.22, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-5-oxo-4-[[1-(1,3-thiazol-5-ylmethyl)pyrazol-4-yl]methyl]thieno[3,2-b]pyridine-7-carboxylic acid is sourced from PubChem (CID 138512695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).