[1-(3-sulfamoylphenyl)pyrazolo[3,4-b]pyridin-4-yl]boronic acid

C12H11BN4O4S — CID 66668003

IUPAC[1-(3-sulfamoylphenyl)pyrazolo[3,4-b]pyridin-4-yl]boronic acid
SMILESNS(=O)(=O)c1cccc(-n2ncc3c(B(O)O)ccnc32)c1
InChIInChI=1S/C12H11BN4O4S/c14-22(20,21)9-3-1-2-8(6-9)17-12-10(7-16-17)11(13(18)19)4-5-15-12/h1-7,18-19H,(H2,14,20,21)
InChIKeyLXHZJDXGFJDXQG-UHFFFAOYSA-N
MW318.12 g/mol
LogP-1.25
Rot. Bonds3

About [1-(3-sulfamoylphenyl)pyrazolo[3,4-b]pyridin-4-yl]boronic acid

[1-(3-sulfamoylphenyl)pyrazolo[3,4-b]pyridin-4-yl]boronic acid (PubChem CID 66668003) has the molecular formula C12H11BN4O4S and a molecular weight of 318.12 g/mol. Its IUPAC name is [1-(3-sulfamoylphenyl)pyrazolo[3,4-b]pyridin-4-yl]boronic acid.

Molecular Properties

Compound Name[1-(3-sulfamoylphenyl)pyrazolo[3,4-b]pyridin-4-yl]boronic acid
PubChem CID66668003
Molecular FormulaC12H11BN4O4S
Molecular Weight318.12 g/mol
Exact Mass318.06
IUPAC Name[1-(3-sulfamoylphenyl)pyrazolo[3,4-b]pyridin-4-yl]boronic acid
SMILESNS(=O)(=O)c1cccc(-n2ncc3c(B(O)O)ccnc32)c1
InChIInChI=1S/C12H11BN4O4S/c14-22(20,21)9-3-1-2-8(6-9)17-12-10(7-16-17)11(13(18)19)4-5-15-12/h1-7,18-19H,(H2,14,20,21)
InChIKeyLXHZJDXGFJDXQG-UHFFFAOYSA-N
XLogP-1.25
TPSA131.33 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.12
LogP ≤ 5-1.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze [1-(3-sulfamoylphenyl)pyrazolo[3,4-b]pyridin-4-yl]boronic acid with MolForge

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

Launch Full Analysis

Related Compounds

4-(4-hydrazinylpyrazolo[3,4-d]pyrimidin-1-yl)benzenesulfonamide
CID 42612019
benzene-1,3-disulfonamide
CID 3090044
N-benzyl-4-fluoro-N-(1-phenylpyrazolo[3,4-b]pyridin-4-yl)benzenesulfonamide
CID 141025517
1-(3-pyridin-4-ylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 11995962
4-[4-(benzenesulfonyl)piperazin-1-yl]-1-(3-chlorophenyl)pyrazolo[5,4-d]pyrimidine
CID 108784407
10-(3-chlorophenyl)-4-methyl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
CID 939570
1-(3-fluorophenyl)-N-(3-sulfamoylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 90887523
6-[4-(2-aminopyrimidin-5-yl)phenyl]-5-(4-methylphenyl)-1-(3-methylsulfonylphenyl)pyrazolo[5,4-d]pyrimidin-4-one
CID 143562305
1-(3-chlorophenyl)-6-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 80726491
3-[2-(2-ethylpyrimidin-4-yl)imidazol-1-yl]benzenesulfonamide
CID 155503985
1-(3-chlorophenyl)-N-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 17017215
1-(3-sulfamoylphenyl)piperidine-4-carboxamide
CID 67036773

Frequently Asked Questions

What is the IUPAC name of [1-(3-sulfamoylphenyl)pyrazolo[3,4-b]pyridin-4-yl]boronic acid?
The IUPAC name of [1-(3-sulfamoylphenyl)pyrazolo[3,4-b]pyridin-4-yl]boronic acid (CID 66668003) is [1-(3-sulfamoylphenyl)pyrazolo[3,4-b]pyridin-4-yl]boronic acid.
What is the SMILES notation for [1-(3-sulfamoylphenyl)pyrazolo[3,4-b]pyridin-4-yl]boronic acid?
The canonical SMILES for [1-(3-sulfamoylphenyl)pyrazolo[3,4-b]pyridin-4-yl]boronic acid is NS(=O)(=O)c1cccc(-n2ncc3c(B(O)O)ccnc32)c1.
What is the InChIKey of [1-(3-sulfamoylphenyl)pyrazolo[3,4-b]pyridin-4-yl]boronic acid?
The InChIKey is LXHZJDXGFJDXQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BN4O4S/c14-22(20,21)9-3-1-2-8(6-9)17-12-10(7-16-17)11(13(18)19)4-5-15-12/h1-7,18-19H,(H2,14,20,21).
What are the key properties of [1-(3-sulfamoylphenyl)pyrazolo[3,4-b]pyridin-4-yl]boronic acid?
[1-(3-sulfamoylphenyl)pyrazolo[3,4-b]pyridin-4-yl]boronic acid has a molecular weight of 318.12 g/mol, XLogP of -1.25, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-sulfamoylphenyl)pyrazolo[3,4-b]pyridin-4-yl]boronic acid is sourced from PubChem (CID 66668003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).