Basic information
- Standard SMILES
CC#CC(=O)N1CCC[C@H]1c1nc(-c2ccc(C(=O)Nc3cc(C(F)(F)F)ccn3)cc2)c2c(N)nccn12- InChIKey
RPIININGFNMCNX-IBGZPJMESA-N- Molecular formula
- C27H22F3N7O2
- Average molar mass
- 533.5 g/mol
- Monoisotopic mass
- 533.17870746
Names & identifiers
- Preferred name
- US9758524, Example 10
- IUPAC
- 4-[8-amino-3-[(2S)-1-but-2-ynoylpyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide
Names & synonyms
US9758524, Example 10CHEMBL6015580SCHEMBL14636830SCHEMBL29663563BDBM340123(S)-4-(8-Amino-3-(1-but-2-ynoylpyrrolidin-2-yl)imidazo[1,5-a]pyrazin-1-yl)-N-(4-(trifluoromethyl)pyridin-2-yl)benzamide
Database identifiers
- PubChem CID
- 71226328
- ChEMBL
CHEMBL6015580
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 119 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 4
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 973
Related reactions
1 records
Compound notes
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