Basic information
- Standard SMILES
CCOC(C)(C)C=C(C#N)C(=O)N1CCC[C@@H]1Cn1nc(-c2ccc(Oc3cccc(F)c3F)cc2F)c2c(N)ncnc21- InChIKey
BKCICBNLQFMNEZ-LJQANCHMSA-N- Molecular formula
- C31H30F3N7O3
- Average molar mass
- 605.6 g/mol
Names & identifiers
- Preferred name
- 2-((R)-2-((4-amino-3-(4-(2,3-difluorophenoxy)-2-fluorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)methyl)pyrrolidine-1-carbonyl)-4-ethoxy-4-methylpent-2-enenitrile
- IUPAC
- 2-[(2R)-2-[[4-amino-3-[4-(2,3-difluorophenoxy)-2-fluorophenyl]pyrazolo[3,4-d]pyrimidin-1-yl]methyl]pyrrolidine-1-carbonyl]-4-ethoxy-4-methylpent-2-enenitrile
Names & synonyms
SCHEMBL15515623SCHEMBL15577038BKCICBNLQFMNEZ-LJQANCHMSA-N2-((R)-2-((4-amino-3-(4-(2,3-difluorophenoxy)-2-fluorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)methyl)pyrrolidine-1-carbonyl)-4-ethoxy-4-methylpent-2-enenitrile
Database identifiers
- PubChem CID
- 90001351
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 132 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 9
- Heavy atoms
- 44
- Formal charge
- 0
- Complexity
- 1,090
Related reactions
1 records
Compound notes
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