Basic information
- Standard SMILES
Nc1nccn2c([C@@H]3CCCN3C(=O)/C=C/CN3CCCC3)nc(-c3ccc(C(=O)Nc4ccccn4)cc3)c12- InChIKey
SUPBPHQUTAHCTB-CJHOVAGGSA-N- Molecular formula
- C30H32N8O2
- Average molar mass
- 536.6 g/mol
- Monoisotopic mass
- 536.26482229
Names & identifiers
- Preferred name
- (S,E)-4-(8-amino-3-(1-(4-(pyrrolidin-1-yl)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-pyrrolidin-1-ylbut-2-enoyl]pyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-N-pyridin-2-ylbenzamide
Names & synonyms
CHEMBL6027133SCHEMBL14651435SUPBPHQUTAHCTB-CJHOVAGGSA-NUS10239883, Example 2BDBM3722771420477-56-0Benzamide, 4-[8-amino-3-[(2S)-1-[(2E)-1-oxo-4-(1-pyrrolidinyl)-2-buten-1-yl]-2-pyrrolidinyl]imidazo[1,5-a]pyrazin-1-yl]-N-2-pyridinyl-(S,E)-4-(8-amino-3-(1-(4-(pyrrolidin-1-yl)but-2-enoyl)pyrrolidin-2-yl)imidazo[1,5-a]pyrazin-1-yl)-N-(pyridin-2-yl)benzamide
Database identifiers
- PubChem CID
- 71233876
- ChEMBL
CHEMBL6027133
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 122 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 902
Related reactions
1 records
Compound notes
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