3-Bromo-1-(1-methylethyl)-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid

HCID 67124166
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Basic information

Standard SMILES
CC(C)n1nc(Br)c2c(C(=O)O)cc(-c3ccccc3)nc21
InChIKey
ITUPFWCDTZHSPC-UHFFFAOYSA-N
Molecular formula
C16H14BrN3O2
Average molar mass
360.2 g/mol

Names & identifiers

Preferred name
3-Bromo-1-(1-methylethyl)-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
IUPAC
3-bromo-6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylic acid

Names & synonyms

SCHEMBL1694729ITUPFWCDTZHSPC-UHFFFAOYSA-N3-Bromo-1-(1-methylethyl)-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid

Database identifiers

PubChem CID
67124166

Properties

Computed structural properties

XLogP
3.7
Topological polar surface area
68 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
3
Heavy atoms
22

Related reactions

4 records
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Compound notes

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