Basic information
- Standard SMILES
COc1cc2nc(-c3nnc4ccc([C@@H](N5CC[C@H](NC(=O)OC(C)(C)C)C5)C(F)(F)F)cn34)ccc2cc1C- InChIKey
GWJOUSDIAFTEDW-YADARESESA-N- Molecular formula
- C28H31F3N6O3
- Average molar mass
- 556.6 g/mol
Names & identifiers
- Preferred name
- tert-butyl (S)-1-((R)-2,2,2-trifluoro-1-(3-(7-methoxy-6-methylquinolin-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl)ethyl)pyrrolidin-3-ylcarbamate
- IUPAC
- tert-butyl N-[(3S)-1-[(1R)-2,2,2-trifluoro-1-[3-(7-methoxy-6-methylquinolin-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]ethyl]pyrrolidin-3-yl]carbamate
Names & synonyms
tert-butyl (S)-1-((R)-2,2,2-trifluoro-1-(3-(7-methoxy-6-methylquinolin-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl)ethyl)pyrrolidin-3-ylcarbamate
Database identifiers
- PubChem CID
- 86707474
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 93.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 7
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 888
Related reactions
2 records
Compound notes
Loading…