Basic information
- Standard SMILES
CC(C)(C)OC(=O)N1CCC(n2ncc3c(N4CC5CCC(C4)O5)nc(Cl)nc32)CC1- InChIKey
WBLCQTWORDBLIX-UHFFFAOYSA-N- Molecular formula
- C21H29ClN6O3
- Average molar mass
- 448.9 g/mol
- Monoisotopic mass
- 448.1989665
Names & identifiers
- Preferred name
- tert-butyl 4-(4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-6-chloro-1H-pyrazolo[3,4-d]pyrimidin-1-yl)piperidine-1-carboxylate
- IUPAC
- tert-butyl 4-[6-chloro-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrazolo[5,4-d]pyrimidin-1-yl]piperidine-1-carboxylate
Names & synonyms
SCHEMBL56285WBLCQTWORDBLIX-UHFFFAOYSA-Ntert-butyl 4-(4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-6-chloro-1H-pyrazolo[3,4-d]pyrimidin-1-yl)piperidine-1-carboxylate
Database identifiers
- PubChem CID
- 86629367
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 85.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 658
Related reactions
7 records
Compound notes
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