3-[4-(3-fluorophenoxy)-phenyl]-1-[(3R)-piperidin-3-yl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine
Basic information
- Standard SMILES
Nc1ncnc2c1c(-c1ccc(Oc3cccc(F)c3)cc1)nn2[C@@H]1CCCNC1- InChIKey
WMVRLLPPNZBUHD-MRXNPFEDSA-N- Molecular formula
- C22H21FN6O
- Average molar mass
- 404.4 g/mol
- Monoisotopic mass
- 404.17608748
Names & identifiers
- Preferred name
- 3-[4-(3-fluorophenoxy)-phenyl]-1-[(3R)-piperidin-3-yl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine
- IUPAC
- 3-[4-(3-fluorophenoxy)phenyl]-1-[(3R)-piperidin-3-yl]pyrazolo[3,4-d]pyrimidin-4-amine
Names & synonyms
SCHEMBL13860289WMVRLLPPNZBUHD-MRXNPFEDSA-N3-[4-(3-fluorophenoxy)-phenyl]-1-[(3R)-piperidin-3-yl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine3-[4-(3-fluorophenoxy)phenyl]-1-[(3R)-piperidin-3-yl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine3-[4-(3-fluorophenoxyl)phenyl]-1-[(3R)-piperidin-3-yl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine
Database identifiers
- PubChem CID
- 71015296
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 90.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 562
Related reactions
15 records
Compound notes
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