3-[5-methoxy-1-(4-methoxyphenyl)sulfonylpyrazolo[3,4-b]pyridin-3-yl]propanoic acid

C17H17N3O6S — CID 18450024

IUPAC3-[5-methoxy-1-(4-methoxyphenyl)sulfonylpyrazolo[3,4-b]pyridin-3-yl]propanoic acid
SMILESCOc1ccc(S(=O)(=O)n2nc(CCC(=O)O)c3cc(OC)cnc32)cc1
InChIInChI=1S/C17H17N3O6S/c1-25-11-3-5-13(6-4-11)27(23,24)20-17-14(9-12(26-2)10-18-17)15(19-20)7-8-16(21)22/h3-6,9-10H,7-8H2,1-2H3,(H,21,22)
InChIKeyHKHJDUXPAMPATD-UHFFFAOYSA-N
MW391.41 g/mol
LogP1.70
Rot. Bonds7

About 3-[5-methoxy-1-(4-methoxyphenyl)sulfonylpyrazolo[3,4-b]pyridin-3-yl]propanoic acid

3-[5-methoxy-1-(4-methoxyphenyl)sulfonylpyrazolo[3,4-b]pyridin-3-yl]propanoic acid (PubChem CID 18450024) has the molecular formula C17H17N3O6S and a molecular weight of 391.41 g/mol. Its IUPAC name is 3-[5-methoxy-1-(4-methoxyphenyl)sulfonylpyrazolo[3,4-b]pyridin-3-yl]propanoic acid.

Molecular Properties

Compound Name3-[5-methoxy-1-(4-methoxyphenyl)sulfonylpyrazolo[3,4-b]pyridin-3-yl]propanoic acid
PubChem CID18450024
Molecular FormulaC17H17N3O6S
Molecular Weight391.41 g/mol
Exact Mass391.08
IUPAC Name3-[5-methoxy-1-(4-methoxyphenyl)sulfonylpyrazolo[3,4-b]pyridin-3-yl]propanoic acid
SMILESCOc1ccc(S(=O)(=O)n2nc(CCC(=O)O)c3cc(OC)cnc32)cc1
InChIInChI=1S/C17H17N3O6S/c1-25-11-3-5-13(6-4-11)27(23,24)20-17-14(9-12(26-2)10-18-17)15(19-20)7-8-16(21)22/h3-6,9-10H,7-8H2,1-2H3,(H,21,22)
InChIKeyHKHJDUXPAMPATD-UHFFFAOYSA-N
XLogP1.70
TPSA120.61 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.41
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 3-[5-methoxy-1-(4-methoxyphenyl)sulfonylpyrazolo[3,4-b]pyridin-3-yl]propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[5-methoxy-1-(4-methoxyphenyl)sulfonylpyrazolo[3,4-b]pyridin-3-yl]propanoic acid?
The IUPAC name of 3-[5-methoxy-1-(4-methoxyphenyl)sulfonylpyrazolo[3,4-b]pyridin-3-yl]propanoic acid (CID 18450024) is 3-[5-methoxy-1-(4-methoxyphenyl)sulfonylpyrazolo[3,4-b]pyridin-3-yl]propanoic acid.
What is the SMILES notation for 3-[5-methoxy-1-(4-methoxyphenyl)sulfonylpyrazolo[3,4-b]pyridin-3-yl]propanoic acid?
The canonical SMILES for 3-[5-methoxy-1-(4-methoxyphenyl)sulfonylpyrazolo[3,4-b]pyridin-3-yl]propanoic acid is COc1ccc(S(=O)(=O)n2nc(CCC(=O)O)c3cc(OC)cnc32)cc1.
What is the InChIKey of 3-[5-methoxy-1-(4-methoxyphenyl)sulfonylpyrazolo[3,4-b]pyridin-3-yl]propanoic acid?
The InChIKey is HKHJDUXPAMPATD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O6S/c1-25-11-3-5-13(6-4-11)27(23,24)20-17-14(9-12(26-2)10-18-17)15(19-20)7-8-16(21)22/h3-6,9-10H,7-8H2,1-2H3,(H,21,22).
What are the key properties of 3-[5-methoxy-1-(4-methoxyphenyl)sulfonylpyrazolo[3,4-b]pyridin-3-yl]propanoic acid?
3-[5-methoxy-1-(4-methoxyphenyl)sulfonylpyrazolo[3,4-b]pyridin-3-yl]propanoic acid has a molecular weight of 391.41 g/mol, XLogP of 1.70, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-methoxy-1-(4-methoxyphenyl)sulfonylpyrazolo[3,4-b]pyridin-3-yl]propanoic acid is sourced from PubChem (CID 18450024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).