Basic information
- Standard SMILES
CN1CCC(N2CC(n3nc(-c4ccc(Oc5ccccc5)cc4)c4c(N)ncnc43)C2)CC1- InChIKey
LXPAWHHBEADNLC-UHFFFAOYSA-N- Molecular formula
- C26H29N7O
- Average molar mass
- 455.6 g/mol
Names & identifiers
- Preferred name
- 1-[1-(1-methyl-4-piperidyl)-3-azetanyl]-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
- IUPAC
- 1-[1-(1-methylpiperidin-4-yl)azetidin-3-yl]-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
Names & synonyms
SCHEMBL6430440LXPAWHHBEADNLC-UHFFFAOYSA-N1-[1-(1-methyl-4-piperidyl)-3-azetanyl]-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
Database identifiers
- PubChem CID
- 22347101
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 85.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 654
Related reactions
3 records
Compound notes
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