Basic information
- Standard SMILES
CCOC[C@H](Oc1ncnc2c1cnn2-c1ccccc1C(F)(F)F)C(=O)Nc1ccc(C#N)cn1- InChIKey
GXPVVAJWDPUCSL-SFHVURJKSA-N- Molecular formula
- C23H18F3N7O3
- Average molar mass
- 497.4 g/mol
Names & identifiers
- Preferred name
- (2S)-N-(5-cyanopyridin-2-yl)-3-ethoxy-2-[1-[2-(trifluoromethyl)phenyl]pyrazolo[4,5-e]pyrimidin-4-yl]oxypropanamide
- IUPAC
- (2S)-N-(5-cyano-2-pyridinyl)-3-ethoxy-2-[1-[2-(trifluoromethyl)phenyl]pyrazolo[5,4-d]pyrimidin-4-yl]oxypropanamide
Names & synonyms
(2S)-N-(5-cyanopyridin-2-yl)-3-ethoxy-2-[1-[2-(trifluoromethyl)phenyl]pyrazolo[4,5-e]pyrimidin-4-yl]oxypropanamideSCHEMBL838344
Database identifiers
- PubChem CID
- 57504368
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 128 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 8
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 795
Related reactions
1 records
Compound notes
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