Basic information
- Standard SMILES
CSc1ccc(Cn2cc3c(-c4ccc(F)cc4)c(-c4ccncc4)c(-c4ccc(F)cc4)nc3n2)cc1- InChIKey
GJQVVUQXYCRFGV-UHFFFAOYSA-N- Molecular formula
- C31H22F2N4S
- Average molar mass
- 520.6 g/mol
Names & identifiers
- Preferred name
- 4,6-Bis(4-fluorophenyl)-2-(4-methylsulfanylbenzyl)-5-(4-pyridyl)pyrazolo[3,4-b]pyridine
- IUPAC
- 4,6-bis(4-fluorophenyl)-2-[(4-methylsulfanylphenyl)methyl]-5-pyridin-4-ylpyrazolo[3,4-b]pyridine
Names & synonyms
SCHEMBL2926310GJQVVUQXYCRFGV-UHFFFAOYSA-N4,6-bis(4-fluorophenyl)-2-(4-methylsulfanylbenzyl)-5-(4-pyridyl)pyrazolo[3,4-b]pyridine
Database identifiers
- PubChem CID
- 68443597
Properties
Computed structural properties
- XLogP
- 7
- Topological polar surface area
- 68.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 729
Related reactions
2 records
Compound notes
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