3-(benzenesulfonamido)-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)benzamide

C22H21N5O3S — CID 26956441

IUPAC3-(benzenesulfonamido)-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)benzamide
SMILESCC(C)n1ncc2cc(NC(=O)c3cccc(NS(=O)(=O)c4ccccc4)c3)cnc21
InChIInChI=1S/C22H21N5O3S/c1-15(2)27-21-17(13-24-27)12-19(14-23-21)25-22(28)16-7-6-8-18(11-16)26-31(29,30)20-9-4-3-5-10-20/h3-15,26H,1-2H3,(H,25,28)
InChIKeyBHIZYDKIHFCGAF-UHFFFAOYSA-N
MW435.51 g/mol
LogP4.07
Rot. Bonds6

About 3-(benzenesulfonamido)-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)benzamide

3-(benzenesulfonamido)-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)benzamide (PubChem CID 26956441) has the molecular formula C22H21N5O3S and a molecular weight of 435.51 g/mol. Its IUPAC name is 3-(benzenesulfonamido)-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)benzamide.

Molecular Properties

Compound Name3-(benzenesulfonamido)-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)benzamide
PubChem CID26956441
Molecular FormulaC22H21N5O3S
Molecular Weight435.51 g/mol
Exact Mass435.14
IUPAC Name3-(benzenesulfonamido)-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)benzamide
SMILESCC(C)n1ncc2cc(NC(=O)c3cccc(NS(=O)(=O)c4ccccc4)c3)cnc21
InChIInChI=1S/C22H21N5O3S/c1-15(2)27-21-17(13-24-27)12-19(14-23-21)25-22(28)16-7-6-8-18(11-16)26-31(29,30)20-9-4-3-5-10-20/h3-15,26H,1-2H3,(H,25,28)
InChIKeyBHIZYDKIHFCGAF-UHFFFAOYSA-N
XLogP4.07
TPSA105.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.51
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-(benzenesulfonamido)-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)benzamide 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

N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)benzenesulfonamide
CID 39344346
3-(ethylsulfamoyl)-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)benzamide
CID 38714189
3-(diethylsulfamoyl)-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)benzamide
CID 27693406
3-[(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide
CID 55896598
N-[3-(diethylcarbamoyl)phenyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 33225377
N-(3-cyanophenyl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 42160130
3-(benzenesulfonamido)-N-naphthalen-2-ylbenzamide
CID 41448840
3,4-dichloro-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)benzenesulfonamide
CID 39344423
2-methyl-5-methylsulfonyl-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)benzamide
CID 26956314
3-(benzenesulfonamido)-N-(3-methoxyphenyl)benzamide
CID 7541945
2-(cyclopentylamino)-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)pyridine-4-carboxamide
CID 167863519
3-(benzenesulfonamido)-N-(2-methylphenyl)benzamide
CID 9341944

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonamido)-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)benzamide?
The IUPAC name of 3-(benzenesulfonamido)-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)benzamide (CID 26956441) is 3-(benzenesulfonamido)-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)benzamide.
What is the SMILES notation for 3-(benzenesulfonamido)-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)benzamide?
The canonical SMILES for 3-(benzenesulfonamido)-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)benzamide is CC(C)n1ncc2cc(NC(=O)c3cccc(NS(=O)(=O)c4ccccc4)c3)cnc21.
What is the InChIKey of 3-(benzenesulfonamido)-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)benzamide?
The InChIKey is BHIZYDKIHFCGAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O3S/c1-15(2)27-21-17(13-24-27)12-19(14-23-21)25-22(28)16-7-6-8-18(11-16)26-31(29,30)20-9-4-3-5-10-20/h3-15,26H,1-2H3,(H,25,28).
What are the key properties of 3-(benzenesulfonamido)-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)benzamide?
3-(benzenesulfonamido)-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)benzamide has a molecular weight of 435.51 g/mol, XLogP of 4.07, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonamido)-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)benzamide is sourced from PubChem (CID 26956441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).