(R)-tert-butyl 1-oxo-1-((3-(2,2,3,3,3-pentafluoropropyl)-3H-imidazo[4,5-b]pyridin-2-yl)methylamino)-3-(2-(trifluoromethyl)phenyl)propan-2-ylcarbamate
Basic information
- Standard SMILES
CC(C)(C)OC(=O)N[C@H](Cc1ccccc1C(F)(F)F)C(=O)NCc1nc2cccnc2n1CC(F)(F)C(F)(F)F- InChIKey
FSDIGHDJKRVNHH-QGZVFWFLSA-N- Molecular formula
- C25H25F8N5O3
- Average molar mass
- 595.5 g/mol
- Monoisotopic mass
- 595.18296497
Names & identifiers
- Preferred name
- (R)-tert-butyl 1-oxo-1-((3-(2,2,3,3,3-pentafluoropropyl)-3H-imidazo[4,5-b]pyridin-2-yl)methylamino)-3-(2-(trifluoromethyl)phenyl)propan-2-ylcarbamate
- IUPAC
- tert-butyl N-[(2R)-1-oxo-1-[[3-(2,2,3,3,3-pentafluoropropyl)imidazo[4,5-b]pyridin-2-yl]methylamino]-3-[2-(trifluoromethyl)phenyl]propan-2-yl]carbamate
Names & synonyms
CHEMBL252632(R)-tert-butyl 1-oxo-1-((3-(2,2,3,3,3-pentafluoropropyl)-3H-imidazo[4,5-b]pyridin-2-yl)methylamino)-3-(2-(trifluoromethyl)phenyl)propan-2-ylcarbamateDTXSID601348562BDBM50233790PD189607
Database identifiers
- PubChem CID
- 44447262
- DTXSID
DTXSID601348562- ChEMBL
CHEMBL252632
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 98.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 13
- Rotatable bonds
- 10
- Heavy atoms
- 41
- Formal charge
- 0
- Complexity
- 911
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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