Ethyl 4-[(4-fluorobenzenesulfonyl)methylamino]-1,3-dimethyl-1h-pyrazolo[3,4-b] pyridine-5-carboxylate

HCID 69733699
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Basic information

Standard SMILES
CCOC(=O)c1cnc2c(c(C)nn2C)c1NCS(=O)(=O)c1ccc(F)cc1
InChIKey
CGNSCLASWREJCI-UHFFFAOYSA-N
Molecular formula
C18H19FN4O4S
Average molar mass
406.4 g/mol

Names & identifiers

Preferred name
Ethyl 4-[(4-fluorobenzenesulfonyl)methylamino]-1,3-dimethyl-1h-pyrazolo[3,4-b] pyridine-5-carboxylate
IUPAC
ethyl 4-[(4-fluorophenyl)sulfonylmethylamino]-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylate

Names & synonyms

SCHEMBL6290687CGNSCLASWREJCI-UHFFFAOYSA-Nethyl 4-[(4-fluorobenzenesulfonyl)methylamino]-1,3-dimethyl-1h-pyrazolo[3,4-b] pyridine-5-carboxylateethyl 4-[(4-fluorobenzenesulfonyl)methylamino]-1,3-dimethyl-1h-pyrazolo[3,4-b]pyridine-5-carboxylate

Database identifiers

PubChem CID
69733699

Properties

Computed structural properties

XLogP
3.1
Topological polar surface area
112 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
8
Rotatable bonds
7
Heavy atoms
28

Related reactions

1 records
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Compound notes

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