Basic information
- Standard SMILES
CC(C)(COC1CCCCO1)n1cc(C(=O)c2cncc(Br)c2)c2cnc(Cl)nc21- InChIKey
FUCLJUAZXBISNM-UHFFFAOYSA-N- Molecular formula
- C21H22BrClN4O3
- Average molar mass
- 493.8 g/mol
Names & identifiers
- Preferred name
- (5-Bromopyridin-3-yl){2-chloro-7-[1,1-dimethyl-2-(tetrahydro-2H-pyran-2-yloxy)ethyl]-7H-pyrrolo[2,3-d]pyrimidin-5-yl}methanone
- IUPAC
- (5-bromo-3-pyridinyl)-[2-chloro-7-[2-methyl-1-(oxan-2-yloxy)propan-2-yl]pyrrolo[2,3-d]pyrimidin-5-yl]methanone
Names & synonyms
SCHEMBL12985366FUCLJUAZXBISNM-UHFFFAOYSA-N(5-Bromopyridin-3-yl){2-chloro-7-[1,1-dimethyl-2-(tetrahydro-2H-pyran-2-yloxy)ethyl]-7H-pyrrolo[2,3-d]pyrimidin-5-yl}methanone
Database identifiers
- PubChem CID
- 86672087
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 79.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 613
Related reactions
1 records
Compound notes
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