2-[benzenesulfonyl(methyl)amino]-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)acetamide

C18H21N5O3S — CID 46404473

IUPAC2-[benzenesulfonyl(methyl)amino]-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)acetamide
SMILESCC(C)n1ncc2cc(NC(=O)CN(C)S(=O)(=O)c3ccccc3)cnc21
InChIInChI=1S/C18H21N5O3S/c1-13(2)23-18-14(10-20-23)9-15(11-19-18)21-17(24)12-22(3)27(25,26)16-7-5-4-6-8-16/h4-11,13H,12H2,1-3H3,(H,21,24)
InChIKeyWCAPJJCSDIESSR-UHFFFAOYSA-N
MW387.47 g/mol
LogP2.27
Rot. Bonds6

About 2-[benzenesulfonyl(methyl)amino]-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)acetamide

2-[benzenesulfonyl(methyl)amino]-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)acetamide (PubChem CID 46404473) has the molecular formula C18H21N5O3S and a molecular weight of 387.47 g/mol. Its IUPAC name is 2-[benzenesulfonyl(methyl)amino]-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)acetamide.

Molecular Properties

Compound Name2-[benzenesulfonyl(methyl)amino]-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)acetamide
PubChem CID46404473
Molecular FormulaC18H21N5O3S
Molecular Weight387.47 g/mol
Exact Mass387.14
IUPAC Name2-[benzenesulfonyl(methyl)amino]-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)acetamide
SMILESCC(C)n1ncc2cc(NC(=O)CN(C)S(=O)(=O)c3ccccc3)cnc21
InChIInChI=1S/C18H21N5O3S/c1-13(2)23-18-14(10-20-23)9-15(11-19-18)21-17(24)12-22(3)27(25,26)16-7-5-4-6-8-16/h4-11,13H,12H2,1-3H3,(H,21,24)
InChIKeyWCAPJJCSDIESSR-UHFFFAOYSA-N
XLogP2.27
TPSA97.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.47
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[benzenesulfonyl(methyl)amino]-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)acetamide 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

2-[(4-fluorophenyl)sulfonyl-methylamino]-N-quinolin-3-ylacetamide
CID 18146512
3-(benzenesulfonamido)-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)benzamide
CID 26956441
4-hydroxy-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)butanamide
CID 79204946
N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)hexanamide
CID 27693401
N-[3-(dimethylsulfamoyl)phenyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 42158243
2-(butan-2-ylamino)-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)acetamide
CID 61259933
2-[(4-fluorophenyl)sulfonyl-methylamino]-N-(2-propan-2-ylpyrazol-3-yl)acetamide
CID 78772250
N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)prop-2-enamide
CID 43616552
2-[methyl(naphthalen-2-ylsulfonyl)amino]-N-naphthalen-2-ylacetamide
CID 9403525
2-[methyl-(4-methylphenyl)sulfonylamino]-N-phenylacetamide
CID 2178261
2-[(3,4-dichlorophenyl)sulfonylamino]-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)propanamide
CID 42890223
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-phenylacetamide
CID 2709729

Frequently Asked Questions

What is the IUPAC name of 2-[benzenesulfonyl(methyl)amino]-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)acetamide?
The IUPAC name of 2-[benzenesulfonyl(methyl)amino]-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)acetamide (CID 46404473) is 2-[benzenesulfonyl(methyl)amino]-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)acetamide.
What is the SMILES notation for 2-[benzenesulfonyl(methyl)amino]-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)acetamide?
The canonical SMILES for 2-[benzenesulfonyl(methyl)amino]-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)acetamide is CC(C)n1ncc2cc(NC(=O)CN(C)S(=O)(=O)c3ccccc3)cnc21.
What is the InChIKey of 2-[benzenesulfonyl(methyl)amino]-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)acetamide?
The InChIKey is WCAPJJCSDIESSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O3S/c1-13(2)23-18-14(10-20-23)9-15(11-19-18)21-17(24)12-22(3)27(25,26)16-7-5-4-6-8-16/h4-11,13H,12H2,1-3H3,(H,21,24).
What are the key properties of 2-[benzenesulfonyl(methyl)amino]-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)acetamide?
2-[benzenesulfonyl(methyl)amino]-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)acetamide has a molecular weight of 387.47 g/mol, XLogP of 2.27, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzenesulfonyl(methyl)amino]-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)acetamide is sourced from PubChem (CID 46404473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).