3-[5-Fluoro-1-(2,3,6-trifluorobenzyl)-1H-pyrazolo[3,4-b]pyridin-3-yl]-7,7-dimethyl-5,7-dihydro-6H-pyrrolo[2,3-e][1,2,4]triazin-6-one
Basic information
- Standard SMILES
CC1(C)C(=O)Nc2nc(-c3nn(Cc4c(F)ccc(F)c4F)c4ncc(F)cc34)nnc21- InChIKey
ZJEBAKIUANUEJV-UHFFFAOYSA-N- Molecular formula
- C20H13F4N7O
- Average molar mass
- 443.4 g/mol
Names & identifiers
- Preferred name
- 3-[5-Fluoro-1-(2,3,6-trifluorobenzyl)-1H-pyrazolo[3,4-b]pyridin-3-yl]-7,7-dimethyl-5,7-dihydro-6H-pyrrolo[2,3-e][1,2,4]triazin-6-one
- IUPAC
- 3-[5-fluoro-1-[(2,3,6-trifluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-7,7-dimethyl-5H-pyrrolo[2,3-e][1,2,4]triazin-6-one
Names & synonyms
SCHEMBL9284770ZJEBAKIUANUEJV-UHFFFAOYSA-N3-[5-Fluoro-1-(2,3,6-trifluorobenzyl)-1H-pyrazolo[3,4-b]pyridin-3-yl]-7,7-dimethyl-5,7-dihydro-6H-pyrrolo[2,3-e][1,2,4]triazin-6-one
Database identifiers
- PubChem CID
- 56597347
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 98.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 3
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 732
Related reactions
1 records
Compound notes
Loading…