Basic information
- Standard SMILES
Nc1ncnc2c1c(-c1cccc(OCc3ccccc3)c1)nn2C1CCCC1- InChIKey
XYNGJAMNUBMFEO-UHFFFAOYSA-N- Molecular formula
- C23H23N5O
- Average molar mass
- 385.5 g/mol
Names & identifiers
- Preferred name
- 3-[3-(benzyloxy)phenyl]-1-cyclopentyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
- IUPAC
- 1-cyclopentyl-3-(3-phenylmethoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
Names & synonyms
SCHEMBL5801308XYNGJAMNUBMFEO-UHFFFAOYSA-N3-[3-(benzyloxy)phenyl]-1-cyclopentyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
Database identifiers
- PubChem CID
- 22347205
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 78.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 521
Related reactions
2 records
Compound notes
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