Basic information
- Standard SMILES
Cc1cc(C)c2oc(Nc3ccc(-c4nn(C5CN(C(=O)OC(C)(C)C)C5)c5ncnc(N)c45)cc3)nc2c1- InChIKey
GGJWFPFOJYIQJR-UHFFFAOYSA-N- Molecular formula
- C28H30N8O3
- Average molar mass
- 526.6 g/mol
- Monoisotopic mass
- 526.24408685
Names & identifiers
- Preferred name
- tert-butyl 3-(4-amino-3-{4-[(5,7-dimethyl-1,3-benzoxazol-2-yl)amino]phenyl}-1H-pyrazolo[3,4-d]pyrimidin-1-yl)-1-azetanecarboxylate
- IUPAC
- tert-butyl 3-[4-amino-3-[4-[(5,7-dimethyl-1,3-benzoxazol-2-yl)amino]phenyl]pyrazolo[3,4-d]pyrimidin-1-yl]azetidine-1-carboxylate
Names & synonyms
SCHEMBL4823150GGJWFPFOJYIQJR-UHFFFAOYSA-Ntert-butyl 3-(4-amino-3-{4-[(5,7-dimethyl-1,3-benzoxazol-2-yl)amino]phenyl}-1H-pyrazolo[3,4-d]pyrimidin-1-yl)-1-azetanecarboxylate
Database identifiers
- PubChem CID
- 22347151
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 137 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 6
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 873
Related reactions
3 records
Compound notes
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