Basic information
- Standard SMILES
O=C1c2ccccc2C(=O)N1CCn1cc2c(-c3ccc(F)cc3)c(-c3ccncc3)c(-c3ccc(F)cc3)nc2n1- InChIKey
NDPTZYWQBKSPHE-UHFFFAOYSA-N- Molecular formula
- C33H21F2N5O2
- Average molar mass
- 557.5 g/mol
Names & identifiers
- Preferred name
- 4,6-Bis(4-fluorophenyl)-2-(2-phthalimidoethyl)-5-(4-pyridyl)pyrazolo[3,4-b]pyridine
- IUPAC
- 2-[2-[4,6-bis(4-fluorophenyl)-5-pyridin-4-ylpyrazolo[3,4-b]pyridin-2-yl]ethyl]isoindole-1,3-dione
Names & synonyms
SCHEMBL1386582NDPTZYWQBKSPHE-UHFFFAOYSA-N4,6-Bis(4-fluorophenyl)-2-(2-phthalimidoethyl)-5-(4-pyridyl)pyrazolo[3,4-b]pyridine
Database identifiers
- PubChem CID
- 67014776
Properties
Computed structural properties
- XLogP
- 5.5
- Topological polar surface area
- 81 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 42
- Formal charge
- 0
- Complexity
- 940
Related reactions
2 records
Compound notes
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