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

HCID 22347151

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

Related reactions

3 records

Compound notes

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