Basic information
- Standard SMILES
Cc1c(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc2n1C[C@@H]1CCCN1C(=O)C(C#N)=CC(C)(C)N(C)C- InChIKey
MGOWUKVRTVSTIO-VWLOTQADSA-N- Molecular formula
- C33H37N7O2
- Average molar mass
- 563.7 g/mol
- Monoisotopic mass
- 563.30087345
Names & identifiers
- Preferred name
- (S)-2-(2-((4-amino-6-methyl-5-(4-phenoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-7-yl)methyl)pyrrolidine-1-carbonyl)-4-(dimethylamino)-4-methylpent-2-enenitrile
- IUPAC
- 2-[(2S)-2-[[4-amino-6-methyl-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]methyl]pyrrolidine-1-carbonyl]-4-(dimethylamino)-4-methylpent-2-enenitrile
Names & synonyms
CHEMBL5745023SCHEMBL13857903MGOWUKVRTVSTIO-VWLOTQADSA-N(S)-2-(2-((4-amino-6-methyl-5-(4-phenoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-7-yl)methyl)pyrrolidine-1-carbonyl)-4-(dimethylamino)-4-methylpent-2-enenitrile
Database identifiers
- PubChem CID
- 71014107
- ChEMBL
CHEMBL5745023
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 113 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 42
- Formal charge
- 0
- Complexity
- 1,010
Related reactions
7 records
Compound notes
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