Basic information
- Standard SMILES
CC(=O)N1CCc2c(c(-c3ccc(C(F)(F)F)cc3)nn2CC(F)CN2CCN(c3ccccc3C#N)CC2)C1- InChIKey
ZOUAALAHJZAJDF-UHFFFAOYSA-N- Molecular formula
- C29H30F4N6O
- Average molar mass
- 554.6 g/mol
Names & identifiers
- Preferred name
- 2-(4-{3-[5-Acetyl-3-(4-trifluoromethyl-phenyl)-4,5,6,7-tetrahydro-pyrazolo[4,3-c]pyridin-1-yl]-2-fluoro-propyl}-piperazin-1-yl)-benzonitrile
- IUPAC
- 2-[4-[3-[5-acetyl-3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]-2-fluoropropyl]piperazin-1-yl]benzonitrile
Names & synonyms
2-(4-{3-[5-Acetyl-3-(4-trifluoromethyl-phenyl)-4,5,6,7-tetrahydro-pyrazolo[4,3-c]pyridin-1-yl]-2-fluoro-propyl}-piperazin-1-yl)-benzonitrileSCHEMBL29739942-(4-{3-[5-Acetyl-3-(4-trifluoromethyl-phenyl)-4,5,6,7-tetrahydro-pyrazolo[4,3-c]pyridin-1-yl]-2fluoro-propyl}-piperazin-1-yl)-benzonitrile
Database identifiers
- PubChem CID
- 10280967
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 68.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 6
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 910
Related reactions
9 records
Compound notes
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