Basic information
- Standard SMILES
CC(C)(C)OC(=O)N1CCc2c(c(-c3ccc(C(F)(F)F)cc3)nn2CCCN2CCN(c3c(N)cccc3Cl)CC2)C1- InChIKey
XJPYSOZSSDLCAP-UHFFFAOYSA-N- Molecular formula
- C31H38ClF3N6O2
- Average molar mass
- 619.1 g/mol
Names & identifiers
- Preferred name
- 1-{3-[4-(2-Amino-6-chloro-phenyl)-piperazin-1-yl]-propyl}-3-(4-trifluoromethyl-phenyl)-1,4,6,7-tetrahydro-pyrazolo[4,3-c]pyridine-5-carboxylic acid tert-butyl ester
- IUPAC
- tert-butyl 1-[3-[4-(2-amino-6-chlorophenyl)piperazin-1-yl]propyl]-3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate
Names & synonyms
1-{3-[4-(2-amino-6-chloro-phenyl)-piperazin-1-yl]-propyl}-3-(4-trifluoromethyl-phenyl)-1,4,6,7-tetrahydro-pyrazolo[4,3-c]pyridine-5-carboxylic acid tert-butyl esterSCHEMBL2976436
Database identifiers
- PubChem CID
- 68463587
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 79.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 8
- Heavy atoms
- 43
- Formal charge
- 0
- Complexity
- 922
Related reactions
18 records
Compound notes
Loading…