Basic information
- Standard SMILES
CCOC(=O)COc1cccc(-n2nc(-c3ccc(F)cc3)c3cccnc32)c1- InChIKey
ZOHMXEDNFLVQFC-UHFFFAOYSA-N- Molecular formula
- C22H18FN3O3
- Average molar mass
- 391.4 g/mol
Names & identifiers
- Preferred name
- ethyl 3-[3-(4-fluorophenyl)-1H-pyrazolo[3,4-b]pyridin-1-yl]phenoxyacetate
- IUPAC
- ethyl 2-[3-[3-(4-fluorophenyl)pyrazolo[5,4-b]pyridin-1-yl]phenoxy]acetate
Names & synonyms
SCHEMBL9236591ZOHMXEDNFLVQFC-UHFFFAOYSA-Nethyl 3-[3-(4-fluorophenyl)-1H-pyrazolo[3,4-b]pyridin-1-yl]phenoxyacetate
Database identifiers
- PubChem CID
- 14796397
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 66.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 543
Related reactions
3 records
Compound notes
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