Rac-n2-(4-{4-amino-1-[1-(2-methoxyethyl)tetrahydro-1h-3-pyrrolyl]-1h-pyrazolo[3,4-d]pyrimidin-3-yl}phenyl)-5-ethyl-1,3-benzoxazol-2-amine monoacetate
Basic information
- Standard SMILES
CC(=O)O.CCc1ccc2oc(Nc3ccc(-c4nn(C5CCN(CCOC)C5)c5ncnc(N)c45)cc3)nc2c1- InChIKey
QUOYNOAPQGFRKC-UHFFFAOYSA-N- Molecular formula
- C29H34N8O4
- Average molar mass
- 558.6 g/mol
- Monoisotopic mass
- 558.2703016
Names & identifiers
- Preferred name
- Rac-n2-(4-{4-amino-1-[1-(2-methoxyethyl)tetrahydro-1h-3-pyrrolyl]-1h-pyrazolo[3,4-d]pyrimidin-3-yl}phenyl)-5-ethyl-1,3-benzoxazol-2-amine monoacetate
- IUPAC
- acetic acid;N-[4-[4-amino-1-[1-(2-methoxyethyl)pyrrolidin-3-yl]pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]-5-ethyl-1,3-benzoxazol-2-amine
Names & synonyms
SCHEMBL6435380QUOYNOAPQGFRKC-UHFFFAOYSA-Nrac-n2-(4-{4-amino-1-[1-(2-methoxyethyl)tetrahydro-1h-3-pyrrolyl]-1h-pyrazolo[3,4-d]pyrimidin-3-yl}phenyl)-5-ethyl-1,3-benzoxazol-2-amine monoacetate
Database identifiers
- PubChem CID
- 69780202
Properties
Computed structural properties
- Topological polar surface area
- 157 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 8
- Heavy atoms
- 41
- Formal charge
- 0
- Complexity
- 770
Related reactions
2 records
Compound notes
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