Basic information
- Standard SMILES
Cc1cc(C)c2oc(Nc3ccc(-c4nn(C(C)C(=O)NCCN(C)C)c5ncnc(N)c45)cc3)nc2c1- InChIKey
FGYGNSFZXIZWED-UHFFFAOYSA-N- Molecular formula
- C27H31N9O2
- Average molar mass
- 513.6 g/mol
- Monoisotopic mass
- 513.26007127
Names & identifiers
- Preferred name
- N1-[2-(dimethylamino)ethyl]-2-(4-amino-3-{4-[(5,7-dimethyl-1,3-benzoxazol-2-yl)amino]phenyl}-1H-pyrazolo[3,4-d]pyrimidin-1-yl)propanamide
- IUPAC
- 2-[4-amino-3-[4-[(5,7-dimethyl-1,3-benzoxazol-2-yl)amino]phenyl]pyrazolo[3,4-d]pyrimidin-1-yl]-N-[2-(dimethylamino)ethyl]propanamide
Names & synonyms
SCHEMBL4819734FGYGNSFZXIZWED-UHFFFAOYSA-NN1-[2-(dimethylamino)ethyl]-2-(4-amino-3-{4-[(5,7-dimethyl-1,3-benzoxazol-2-yl)amino]phenyl}-1H-pyrazolo[3,4-d]pyrimidin-1-yl)propanamide
Database identifiers
- PubChem CID
- 22346906
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 140 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 8
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 795
Related reactions
2 records
Compound notes
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