Basic information
- Standard SMILES
CN(C)C/C=C/C(=O)N1CCC[C@H]1c1nc(-c2ccc(C(=O)Nc3ccccn3)cc2)c2c(N)nccn12- InChIKey
FQHRONGYKPLCFQ-JLXBBBJOSA-N- Molecular formula
- C28H30N8O2
- Average molar mass
- 510.6 g/mol
- Monoisotopic mass
- 510.24917223
Names & identifiers
- Preferred name
- (S,E)-4-(8-Amino-3-(1-(4-(dimethylamino)but-2-enoyl)pyrrolidin-2-yl)imidazo[1,5-a]pyrazin-1-yl)-N-(pyridin-2-yl)benzamide
- IUPAC
- 4-[8-amino-3-[(2S)-1-[(E)-4-(dimethylamino)but-2-enoyl]pyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-N-pyridin-2-ylbenzamide
Names & synonyms
CHEMBL5807267SCHEMBL14636929SCHEMBL30596520US9758524, Example 3FQHRONGYKPLCFQ-JLXBBBJOSA-NBDBM340119US9758524, Example 127(S,E)-4-(8-Amino-3-(1-(4-(dimethylamino)but-2-enoyl)pyrrolidin-2-yl)imidazo[1,5-a]pyrazin-1-yl)-N-(pyridin-2-yl)benzamide
Database identifiers
- PubChem CID
- 71226385
- ChEMBL
CHEMBL5807267
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 122 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 845
Related reactions
1 records
Compound notes
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