Basic information
- Standard SMILES
CC(=O)N1CCc2c(c(-c3ccc(C(F)(F)F)cc3)nn2CC(O)CN2CCC(c3nc4ccccc4[nH]3)CC2)C1- InChIKey
KIPIDPRRXSGVEY-UHFFFAOYSA-N- Molecular formula
- C30H33F3N6O2
- Average molar mass
- 566.6 g/mol
Names & identifiers
- Preferred name
- 1-[1-{3-[4-(1H-Benzoimidazol-2-yl)-piperidin-1-yl]-2-hydroxy-propyl}-3-(4-trifluoromethyl-phenyl)-1,4,6,7-tetrahydro-pyrazolo[4,3-c]pyridin-5-yl]-ethanone
- IUPAC
- 1-[1-[3-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-hydroxypropyl]-3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
Names & synonyms
1-[1-{3-[4-(1H-Benzoimidazol-2-yl)-piperidin-1-yl]-2-hydroxy-propyl}-3-(4-trifluoromethyl-phenyl)-1,4,6,7-tetrahydro-pyrazolo[4,3-c]pyridin-5-yl]-ethanoneSCHEMBL4713562
Database identifiers
- PubChem CID
- 10120567
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 90.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 6
- Heavy atoms
- 41
- Formal charge
- 0
- Complexity
- 894
Related reactions
2 records
Compound notes
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