(R)-3-(4-(3-fluorophenoxy)phenyl)-1-(pyrrolidin-3-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
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Basic information
- Standard SMILES
Nc1ncnc2c1c(-c1ccc(Oc3cccc(F)c3)cc1)nn2[C@@H]1CCNC1- InChIKey
HDTVUQFPQCUNHJ-OAHLLOKOSA-N- Molecular formula
- C21H19FN6O
- Average molar mass
- 390.4 g/mol
Names & identifiers
- Preferred name
- (R)-3-(4-(3-fluorophenoxy)phenyl)-1-(pyrrolidin-3-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
- IUPAC
- 3-[4-(3-fluorophenoxy)phenyl]-1-[(3R)-pyrrolidin-3-yl]pyrazolo[3,4-d]pyrimidin-4-amine
Names & synonyms
SCHEMBL14576487HDTVUQFPQCUNHJ-OAHLLOKOSA-N(R)-3-(4-(3-fluorophenoxy)phenyl)-1-(pyrrolidin-3-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine(R)-3-(4-(3-fluorophenoxyl)phenyl)-1-(pyrrolidin-3-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
Database identifiers
- PubChem CID
- 71209019
Properties
Computed structural propertiesFilling in
- XLogP
- 2.8
- Topological polar surface area
- 90.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 547
Related reactions
1 records
Compound notes
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