5-methoxy-1-(4-methoxyphenyl)sulfonylpyrazolo[5,4-b]pyridine-3-carboxylic acid

C15H13N3O6S — CID 58843120

IUPAC5-methoxy-1-(4-methoxyphenyl)sulfonylpyrazolo[5,4-b]pyridine-3-carboxylic acid
SMILESCOc1ccc(S(=O)(=O)n2nc(C(=O)O)c3cc(OC)cnc32)cc1
InChIInChI=1S/C15H13N3O6S/c1-23-9-3-5-11(6-4-9)25(21,22)18-14-12(13(17-18)15(19)20)7-10(24-2)8-16-14/h3-8H,1-2H3,(H,19,20)
InChIKeyVSGIKLXOKKHQCU-UHFFFAOYSA-N
MW363.35 g/mol
LogP1.38
Rot. Bonds5

About 5-methoxy-1-(4-methoxyphenyl)sulfonylpyrazolo[5,4-b]pyridine-3-carboxylic acid

5-methoxy-1-(4-methoxyphenyl)sulfonylpyrazolo[5,4-b]pyridine-3-carboxylic acid (PubChem CID 58843120) has the molecular formula C15H13N3O6S and a molecular weight of 363.35 g/mol. Its IUPAC name is 5-methoxy-1-(4-methoxyphenyl)sulfonylpyrazolo[5,4-b]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-methoxy-1-(4-methoxyphenyl)sulfonylpyrazolo[5,4-b]pyridine-3-carboxylic acid
PubChem CID58843120
Molecular FormulaC15H13N3O6S
Molecular Weight363.35 g/mol
Exact Mass363.05
IUPAC Name5-methoxy-1-(4-methoxyphenyl)sulfonylpyrazolo[5,4-b]pyridine-3-carboxylic acid
SMILESCOc1ccc(S(=O)(=O)n2nc(C(=O)O)c3cc(OC)cnc32)cc1
InChIInChI=1S/C15H13N3O6S/c1-23-9-3-5-11(6-4-9)25(21,22)18-14-12(13(17-18)15(19)20)7-10(24-2)8-16-14/h3-8H,1-2H3,(H,19,20)
InChIKeyVSGIKLXOKKHQCU-UHFFFAOYSA-N
XLogP1.38
TPSA120.61 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.35
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-1-(4-methoxyphenyl)sulfonylpyrazolo[5,4-b]pyridine-3-carboxylic acid?
The IUPAC name of 5-methoxy-1-(4-methoxyphenyl)sulfonylpyrazolo[5,4-b]pyridine-3-carboxylic acid (CID 58843120) is 5-methoxy-1-(4-methoxyphenyl)sulfonylpyrazolo[5,4-b]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-methoxy-1-(4-methoxyphenyl)sulfonylpyrazolo[5,4-b]pyridine-3-carboxylic acid?
The canonical SMILES for 5-methoxy-1-(4-methoxyphenyl)sulfonylpyrazolo[5,4-b]pyridine-3-carboxylic acid is COc1ccc(S(=O)(=O)n2nc(C(=O)O)c3cc(OC)cnc32)cc1.
What is the InChIKey of 5-methoxy-1-(4-methoxyphenyl)sulfonylpyrazolo[5,4-b]pyridine-3-carboxylic acid?
The InChIKey is VSGIKLXOKKHQCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O6S/c1-23-9-3-5-11(6-4-9)25(21,22)18-14-12(13(17-18)15(19)20)7-10(24-2)8-16-14/h3-8H,1-2H3,(H,19,20).
What are the key properties of 5-methoxy-1-(4-methoxyphenyl)sulfonylpyrazolo[5,4-b]pyridine-3-carboxylic acid?
5-methoxy-1-(4-methoxyphenyl)sulfonylpyrazolo[5,4-b]pyridine-3-carboxylic acid has a molecular weight of 363.35 g/mol, XLogP of 1.38, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-1-(4-methoxyphenyl)sulfonylpyrazolo[5,4-b]pyridine-3-carboxylic acid is sourced from PubChem (CID 58843120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).