Basic information
- Standard SMILES
COc1ccc(CNc2ncc3c(C(=O)c4cncc(Br)c4)cn(C45CC(C4)C5)c3n2)cc1- InChIKey
SDPCYZDNRHLQTE-UHFFFAOYSA-N- Molecular formula
- C25H22BrN5O2
- Average molar mass
- 504.4 g/mol
- Monoisotopic mass
- 503.09569
Names & identifiers
- Preferred name
- [7-Bicyclo[1.1.1]pent-1-yl-2-(4-methoxy-benzylamino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-(5-bromo-pyridin-3-yl)-methanone
- IUPAC
- [7-(1-bicyclo[1.1.1]pentanyl)-2-[(4-methoxyphenyl)methylamino]pyrrolo[2,3-d]pyrimidin-5-yl]-(5-bromo-3-pyridinyl)methanone
Names & synonyms
SCHEMBL12985162SDPCYZDNRHLQTE-UHFFFAOYSA-N[7-Bicyclo[1.1.1]pent-1-yl-2-(4-methoxy-benzylamino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-(5-bromo-pyridin-3-yl)-methanone
Database identifiers
- PubChem CID
- 70817552
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 81.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 715
Related reactions
2 records
Compound notes
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