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

C18H20N4O3S — CID 26956314

IUPAC2-methyl-5-methylsulfonyl-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)benzamide
SMILESCc1ccc(S(C)(=O)=O)cc1C(=O)Nc1cnc2c(cnn2C(C)C)c1
InChIInChI=1S/C18H20N4O3S/c1-11(2)22-17-13(9-20-22)7-14(10-19-17)21-18(23)16-8-15(26(4,24)25)6-5-12(16)3/h5-11H,1-4H3,(H,21,23)
InChIKeyKRISNWVRPSRHHE-UHFFFAOYSA-N
MW372.45 g/mol
LogP2.98
Rot. Bonds4

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

2-methyl-5-methylsulfonyl-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)benzamide (PubChem CID 26956314) has the molecular formula C18H20N4O3S and a molecular weight of 372.45 g/mol. Its IUPAC name is 2-methyl-5-methylsulfonyl-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)benzamide.

Molecular Properties

Compound Name2-methyl-5-methylsulfonyl-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)benzamide
PubChem CID26956314
Molecular FormulaC18H20N4O3S
Molecular Weight372.45 g/mol
Exact Mass372.13
IUPAC Name2-methyl-5-methylsulfonyl-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)benzamide
SMILESCc1ccc(S(C)(=O)=O)cc1C(=O)Nc1cnc2c(cnn2C(C)C)c1
InChIInChI=1S/C18H20N4O3S/c1-11(2)22-17-13(9-20-22)7-14(10-19-17)21-18(23)16-8-15(26(4,24)25)6-5-12(16)3/h5-11H,1-4H3,(H,21,23)
InChIKeyKRISNWVRPSRHHE-UHFFFAOYSA-N
XLogP2.98
TPSA93.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.45
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-methyl-5-methylsulfonyl-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

6-methyl-N-(6-methylsulfonyl-3-pyridinyl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 78878630
N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-2-methyl-5-methylsulfonylbenzamide
CID 55457138
4-chloro-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)pyridine-2-carboxamide
CID 17398797
6-(2-methylphenyl)-1-propan-2-yl-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 55493577
2-chloro-4,5-difluoro-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)benzamide
CID 27693470
3-(benzenesulfonamido)-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)benzamide
CID 26956441
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
N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)prop-2-enamide
CID 43616552
5-chloro-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)furan-2-carboxamide
CID 30156254
2-[(3,4-dichlorophenyl)sulfonylamino]-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)propanamide
CID 42890223
4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)benzamide
CID 27693617

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-methylsulfonyl-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)benzamide?
The IUPAC name of 2-methyl-5-methylsulfonyl-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)benzamide (CID 26956314) is 2-methyl-5-methylsulfonyl-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)benzamide.
What is the SMILES notation for 2-methyl-5-methylsulfonyl-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)benzamide?
The canonical SMILES for 2-methyl-5-methylsulfonyl-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)benzamide is Cc1ccc(S(C)(=O)=O)cc1C(=O)Nc1cnc2c(cnn2C(C)C)c1.
What is the InChIKey of 2-methyl-5-methylsulfonyl-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)benzamide?
The InChIKey is KRISNWVRPSRHHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O3S/c1-11(2)22-17-13(9-20-22)7-14(10-19-17)21-18(23)16-8-15(26(4,24)25)6-5-12(16)3/h5-11H,1-4H3,(H,21,23).
What are the key properties of 2-methyl-5-methylsulfonyl-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)benzamide?
2-methyl-5-methylsulfonyl-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)benzamide has a molecular weight of 372.45 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-methylsulfonyl-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)benzamide is sourced from PubChem (CID 26956314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).