Ethyl 1-(1-methylethyl)-6-[4-(methylsulfonyl)phenyl]-1H-pyrazolo[3,4-b]pyridine-4-carboxylate

HCID 67124530
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Basic information

Standard SMILES
CCOC(=O)c1cc(-c2ccc(S(C)(=O)=O)cc2)nc2c1cnn2C(C)C
InChIKey
RJBSOTSZJHKOIC-UHFFFAOYSA-N
Molecular formula
C19H21N3O4S
Average molar mass
387.5 g/mol

Names & identifiers

Preferred name
Ethyl 1-(1-methylethyl)-6-[4-(methylsulfonyl)phenyl]-1H-pyrazolo[3,4-b]pyridine-4-carboxylate
IUPAC
ethyl 6-(4-methylsulfonylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate

Names & synonyms

SCHEMBL1695450RJBSOTSZJHKOIC-UHFFFAOYSA-NEthyl 1-(1-methylethyl)-6-[4-(methylsulfonyl)phenyl]-1H-pyrazolo[3,4-b]pyridine-4-carboxylate

Database identifiers

PubChem CID
67124530

Properties

Computed structural properties

XLogP
2.7
Topological polar surface area
99.5 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
6
Rotatable bonds
6
Heavy atoms
27

Related reactions

4 records
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Compound notes

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