Basic information
- Standard SMILES
CCN(CC)CCC(=O)N1CC(n2nc(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc32)C1- InChIKey
NNMVEMNHFHSRIN-UHFFFAOYSA-N- Molecular formula
- C27H31N7O2
- Average molar mass
- 485.6 g/mol
Names & identifiers
- Preferred name
- 1-{3-[4-amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]-1-azetanyl}-3-(diethylamino)-1-propanone
- IUPAC
- 1-[3-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]azetidin-1-yl]-3-(diethylamino)propan-1-one
Names & synonyms
SCHEMBL5802149NNMVEMNHFHSRIN-UHFFFAOYSA-N1-{3-[4-amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]-1-azetanyl}-3-(diethylamino)-1-propanone
Database identifiers
- PubChem CID
- 22347296
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 102 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 9
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 702
Related reactions
3 records
Compound notes
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