Basic information
- Standard SMILES
COc1ccc(Cn2ncc3c(Oc4ccc([N+](=O)[O-])cc4F)ccnc32)cc1- InChIKey
QWTKBNNFFHELNF-UHFFFAOYSA-N- Molecular formula
- C20H15FN4O4
- Average molar mass
- 394.4 g/mol
- Monoisotopic mass
- 394.10773313
Names & identifiers
- Preferred name
- 1-(4-methoxybenzyl)-4-(2-fluoro-4-nitrophenoxy)-1H-pyrazolo[3,4-b]pyridine
- IUPAC
- 4-(2-fluoro-4-nitrophenoxy)-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyridine
Names & synonyms
SCHEMBL1943821SCHEMBL30310245QWTKBNNFFHELNF-UHFFFAOYSA-NDB-4114141-(4-methoxybenzyl)-4-(2-fluoro-4-nitrophenoxy)-1H-pyrazolo[3,4-b]pridine1-(4-methoxybenzyl)-4-(2-fluoro-4-nitrophenoxy)-1H-pyrazolo[3,4-b]pyridine4-(2-fluoro-4-nitrophenoxy)-1-(4-methoxybenzyl)-1H-pyrazolo[3,4-b]pyridine949556-47-2
Database identifiers
- PubChem CID
- 67220771
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 95 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 557
Related reactions
7 records
Compound notes
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