Completing data — refresh the page later to see the latest
Basic information
- Standard SMILES
CC(=O)O.Cc1cc(C)c2oc(Nc3ccc(-c4nn(C5CCCNC5)c5ncnc(N)c45)cc3)nc2c1- InChIKey
QSQACXGUTDNKAR-UHFFFAOYSA-N- Molecular formula
- C27H30N8O3
- Average molar mass
- 514.6 g/mol
Names & identifiers
- Preferred name
- N2-{4-[4-amino-1-(3-piperidyl)-1H-pyrazolo[3,4-d]pyrimidin-3-yl]phenyl}-5,7-dimethyl-1,3-benzoxazol-2-amine acetate
- IUPAC
- acetic acid;N-[4-(4-amino-1-piperidin-3-ylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]-5,7-dimethyl-1,3-benzoxazol-2-amine
Names & synonyms
SCHEMBL4823321QSQACXGUTDNKAR-UHFFFAOYSA-NN2-{4-[4-amino-1-(3-piperidyl)-1H-pyrazolo[3,4-d]pyrimidin-3-yl]phenyl}-5,7-dimethyl-1,3-benzoxazol-2-amine acetate
Database identifiers
- PubChem CID
- 22347309
Properties
Computed structural propertiesFilling in
- Topological polar surface area
- 157 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 4
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 721
Related reactions
4 records
Compound notes
Loading…