1-(4-methoxybenzyl)-4-(2-fluoro-4-nitrophenoxy)-1H-pyrazolo[3,4-b]pyridine

HCID 67220771

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

Related reactions

7 records

Compound notes

Loading…