Basic information
- Standard SMILES
Cn1ccnc1CN1CC(n2nc(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc32)C1- InChIKey
KVGDFZZKQXYUKA-UHFFFAOYSA-N- Molecular formula
- C25H24N8O
- Average molar mass
- 452.5 g/mol
Names & identifiers
- Preferred name
- 1-{1-[(1-methyl-1H-2-imidazolyl)methyl]-3-azetanyl}-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
- IUPAC
- 1-[1-[(1-methylimidazol-2-yl)methyl]azetidin-3-yl]-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
Names & synonyms
SCHEMBL6435306KVGDFZZKQXYUKA-UHFFFAOYSA-N1-{1-[(1-methyl-1H-2-imidazolyl)methyl]-3-azetanyl}-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
Database identifiers
- PubChem CID
- 22347385
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 99.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 663
Related reactions
3 records
Compound notes
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