Ethyl 2-[1-(2-fluorobenzyl)-1H-pyrazolo[3,4-b]pyridin-3-yl]-8-oxo-8,9-dihydro-7H-purine-6-carboxylate
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Basic information
- Standard SMILES
CCOC(=O)c1nc(-c2nn(Cc3ccccc3F)c3ncccc23)nc2[nH]c(=O)[nH]c12- InChIKey
BKUDFGVICNIEPP-UHFFFAOYSA-N- Molecular formula
- C21H16FN7O3
- Average molar mass
- 433.4 g/mol
Names & identifiers
- Preferred name
- Ethyl 2-[1-(2-fluorobenzyl)-1H-pyrazolo[3,4-b]pyridin-3-yl]-8-oxo-8,9-dihydro-7H-purine-6-carboxylate
- IUPAC
- ethyl 2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-8-oxo-7,9-dihydropurine-6-carboxylate
Names & synonyms
SCHEMBL174008BKUDFGVICNIEPP-UHFFFAOYSA-NEthyl 2-[1-(2-fluorobenzyl)-1H-pyrazolo[3,4-b]pyridin-3-yl]-8-oxo-8,9-dihydro-7H-purine-6-carboxylate
Database identifiers
- PubChem CID
- 66613645
Properties
Computed structural propertiesFilling in
- XLogP
- 2
- Topological polar surface area
- 124 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 6
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 715
Related reactions
1 records
Compound notes
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