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

C17H20N4O4S — CID 39344439

IUPAC3,4-dimethoxy-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2cnc3c(cnn3C(C)C)c2)cc1OC
InChIInChI=1S/C17H20N4O4S/c1-11(2)21-17-12(9-19-21)7-13(10-18-17)20-26(22,23)14-5-6-15(24-3)16(8-14)25-4/h5-11,20H,1-4H3
InChIKeyKZVACTQZBLFJEM-UHFFFAOYSA-N
MW376.44 g/mol
LogP2.83
Rot. Bonds6

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

3,4-dimethoxy-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)benzenesulfonamide (PubChem CID 39344439) has the molecular formula C17H20N4O4S and a molecular weight of 376.44 g/mol. Its IUPAC name is 3,4-dimethoxy-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name3,4-dimethoxy-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)benzenesulfonamide
PubChem CID39344439
Molecular FormulaC17H20N4O4S
Molecular Weight376.44 g/mol
Exact Mass376.12
IUPAC Name3,4-dimethoxy-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2cnc3c(cnn3C(C)C)c2)cc1OC
InChIInChI=1S/C17H20N4O4S/c1-11(2)21-17-12(9-19-21)7-13(10-18-17)20-26(22,23)14-5-6-15(24-3)16(8-14)25-4/h5-11,20H,1-4H3
InChIKeyKZVACTQZBLFJEM-UHFFFAOYSA-N
XLogP2.83
TPSA95.34 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.44
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3,4-diethoxy-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)benzenesulfonamide
CID 39344535
3,4-dichloro-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)benzenesulfonamide
CID 39344423
N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)benzenesulfonamide
CID 39344346
3,4-dimethoxy-N-quinolin-3-ylbenzenesulfonamide
CID 795443
3,4-dimethoxy-N-(1H-pyrazol-4-yl)benzenesulfonamide
CID 43532732
3,4-dimethoxy-N-(6-phenyl-3-pyridinyl)benzenesulfonamide
CID 110406353
3-(benzenesulfonamido)-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)benzamide
CID 26956441
3,4-dimethoxy-N-(6-pyrazol-1-yl-3-pyridinyl)benzenesulfonamide
CID 36618671
N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-3,4-dimethoxybenzenesulfonamide
CID 2290578
3,4-dimethoxy-N-(2-phenoxypyrimidin-5-yl)benzenesulfonamide
CID 122302279
N-(2-methoxyphenyl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 24583509
N-(1-methoxypropan-2-yl)-1-propan-2-ylpyrazolo[3,4-b]pyridin-5-amine
CID 62536786

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)benzenesulfonamide?
The IUPAC name of 3,4-dimethoxy-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)benzenesulfonamide (CID 39344439) is 3,4-dimethoxy-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)benzenesulfonamide.
What is the SMILES notation for 3,4-dimethoxy-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)benzenesulfonamide?
The canonical SMILES for 3,4-dimethoxy-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)benzenesulfonamide is COc1ccc(S(=O)(=O)Nc2cnc3c(cnn3C(C)C)c2)cc1OC.
What is the InChIKey of 3,4-dimethoxy-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)benzenesulfonamide?
The InChIKey is KZVACTQZBLFJEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O4S/c1-11(2)21-17-12(9-19-21)7-13(10-18-17)20-26(22,23)14-5-6-15(24-3)16(8-14)25-4/h5-11,20H,1-4H3.
What are the key properties of 3,4-dimethoxy-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)benzenesulfonamide?
3,4-dimethoxy-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)benzenesulfonamide has a molecular weight of 376.44 g/mol, XLogP of 2.83, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)benzenesulfonamide is sourced from PubChem (CID 39344439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).