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

C19H24N4O4S — CID 39344535

IUPAC3,4-diethoxy-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)Nc2cnc3c(cnn3C(C)C)c2)cc1OCC
InChIInChI=1S/C19H24N4O4S/c1-5-26-17-8-7-16(10-18(17)27-6-2)28(24,25)22-15-9-14-11-21-23(13(3)4)19(14)20-12-15/h7-13,22H,5-6H2,1-4H3
InChIKeyOMCGMXGSIKFLGA-UHFFFAOYSA-N
MW404.49 g/mol
LogP3.61
Rot. Bonds8

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

3,4-diethoxy-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)benzenesulfonamide (PubChem CID 39344535) has the molecular formula C19H24N4O4S and a molecular weight of 404.49 g/mol. Its IUPAC name is 3,4-diethoxy-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name3,4-diethoxy-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)benzenesulfonamide
PubChem CID39344535
Molecular FormulaC19H24N4O4S
Molecular Weight404.49 g/mol
Exact Mass404.15
IUPAC Name3,4-diethoxy-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)Nc2cnc3c(cnn3C(C)C)c2)cc1OCC
InChIInChI=1S/C19H24N4O4S/c1-5-26-17-8-7-16(10-18(17)27-6-2)28(24,25)22-15-9-14-11-21-23(13(3)4)19(14)20-12-15/h7-13,22H,5-6H2,1-4H3
InChIKeyOMCGMXGSIKFLGA-UHFFFAOYSA-N
XLogP3.61
TPSA95.34 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.49
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3,4-dimethoxy-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)benzenesulfonamide
CID 39344439
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-[(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide
CID 55896598
3,4-diethoxy-N-(4-methylsulfonylphenyl)benzenesulfonamide
CID 9056028
N-[2-[(2R)-butan-2-yl]phenyl]-3,4-diethoxybenzenesulfonamide
CID 9055938
N-[2-[(2S)-butan-2-yl]phenyl]-3,4-diethoxybenzenesulfonamide
CID 9055939
3,4-diethoxy-N-(4-sulfamoylphenyl)benzenesulfonamide
CID 27658093
4-ethoxy-3-methyl-N-quinolin-3-ylbenzenesulfonamide
CID 66485862
3-(ethylsulfamoyl)-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)benzamide
CID 38714189
3-(benzenesulfonamido)-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)benzamide
CID 26956441
N-[4-(diethylamino)phenyl]-3,4-diethoxybenzenesulfonamide
CID 9030499

Frequently Asked Questions

What is the IUPAC name of 3,4-diethoxy-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)benzenesulfonamide?
The IUPAC name of 3,4-diethoxy-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)benzenesulfonamide (CID 39344535) is 3,4-diethoxy-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)benzenesulfonamide.
What is the SMILES notation for 3,4-diethoxy-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)benzenesulfonamide?
The canonical SMILES for 3,4-diethoxy-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)benzenesulfonamide is CCOc1ccc(S(=O)(=O)Nc2cnc3c(cnn3C(C)C)c2)cc1OCC.
What is the InChIKey of 3,4-diethoxy-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)benzenesulfonamide?
The InChIKey is OMCGMXGSIKFLGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O4S/c1-5-26-17-8-7-16(10-18(17)27-6-2)28(24,25)22-15-9-14-11-21-23(13(3)4)19(14)20-12-15/h7-13,22H,5-6H2,1-4H3.
What are the key properties of 3,4-diethoxy-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)benzenesulfonamide?
3,4-diethoxy-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)benzenesulfonamide has a molecular weight of 404.49 g/mol, XLogP of 3.61, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-diethoxy-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)benzenesulfonamide is sourced from PubChem (CID 39344535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).