4-[4-(4-Acetylamino-phenoxy)-pyrazolo[3,4-d]pyrimidin-1-yl]-piperidine-1-carboxylic acid tert-butyl ester
Basic information
- Standard SMILES
CC(=O)Nc1ccc(Oc2ncnc3c2cnn3C2CCN(C(=O)OC(C)(C)C)CC2)cc1- InChIKey
DKCUKRUMJNQKSX-UHFFFAOYSA-N- Molecular formula
- C23H28N6O4
- Average molar mass
- 452.5 g/mol
- Monoisotopic mass
- 452.2172034
Names & identifiers
- Preferred name
- 4-[4-(4-Acetylamino-phenoxy)-pyrazolo[3,4-d]pyrimidin-1-yl]-piperidine-1-carboxylic acid tert-butyl ester
- IUPAC
- tert-butyl 4-[4-(4-acetamidophenoxy)pyrazolo[5,4-d]pyrimidin-1-yl]piperidine-1-carboxylate
Names & synonyms
SCHEMBL1128307DKCUKRUMJNQKSX-UHFFFAOYSA-N4-[4-(4-acetylamino-phenoxy)-pyrazolo[3,4-d]pyrimidin-1-yl]-piperidine-1-carboxylic acid tert-butyl ester
Database identifiers
- PubChem CID
- 44514403
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 111 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 685
Related reactions
4 records
Compound notes
Loading…