Basic information
- Standard SMILES
Nc1nc(-c2cccs2)c2cnn(Cc3ccccc3F)c2n1- InChIKey
BTNSODUMYOQWPY-UHFFFAOYSA-N- Molecular formula
- C16H12FN5S
- Average molar mass
- 325.4 g/mol
Names & identifiers
- Preferred name
- 1-(2-Fluorobenzyl)-4-(2-thienyl)-1H-pyrazolo[3,4-d]pyrimidine-6-amine
- IUPAC
- 1-[(2-fluorophenyl)methyl]-4-thiophen-2-ylpyrazolo[3,4-d]pyrimidin-6-amine
Names & synonyms
CHEMBL258006SCHEMBL4451232BTNSODUMYOQWPY-UHFFFAOYSA-NBDBM503775251-(2-Fluorobenzyl)-4-(2-thienyl)-1H-pyrazolo[3,4-d]pyrimidine-6-amine
Database identifiers
- PubChem CID
- 22015493
- ChEMBL
CHEMBL258006
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 97.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 414
Related reactions
3 records
Compound notes
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