Basic information
- Standard SMILES
CC(C)(C)OC(=O)N1CCC(CCn2cc(Br)c3c(N)ncnc32)CC1- InChIKey
CYQHQKWFNHGUPJ-UHFFFAOYSA-N- Molecular formula
- C18H26BrN5O2
- Average molar mass
- 424.3 g/mol
Names & identifiers
- Preferred name
- 1,1-dimethylethyl 4-[2-(4-amino-5-bromo-7H-pyrrolo[2,3-d]pyrimidin-7-yl)ethyl]-1-piperidinecarboxylate
- IUPAC
- tert-butyl 4-[2-(4-amino-5-bromopyrrolo[2,3-d]pyrimidin-7-yl)ethyl]piperidine-1-carboxylate
Names & synonyms
SCHEMBL869772CYQHQKWFNHGUPJ-UHFFFAOYSA-N1,1-dimethylethyl 4-[2-(4-amino-5-bromo-7H-pyrrolo[2,3-d]pyrimidin-7-yl)ethyl]-1-piperidinecarboxylate
Database identifiers
- PubChem CID
- 66823948
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 86.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 492
Related reactions
4 records
Compound notes
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