Basic information
- Standard SMILES
Cc1cnc(N2CCC(Oc3ncnc4c3cnn4-c3ccc(S(C)(=O)=O)cc3F)CC2)nc1N(C)C- InChIKey
MJCNSMVFHGUKLU-UHFFFAOYSA-N- Molecular formula
- C24H27FN8O3S
- Average molar mass
- 526.6 g/mol
- Monoisotopic mass
- 526.19108609
Names & identifiers
- Preferred name
- (2-{4-[1-(2-Fluoro-4-methanesulfonyl-phenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yloxy]-piperidin-1-yl}-5-methyl-pyrimidin-4-yl)-dimethyl-amine
- IUPAC
- 2-[4-[1-(2-fluoro-4-methylsulfonylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]oxypiperidin-1-yl]-N,N,5-trimethylpyrimidin-4-amine
Names & synonyms
(2-{4-[1-(2-Fluoro-4-methanesulfonyl-phenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yloxy]-piperidin-1-yl}-5-methyl-pyrimidin-4-yl)-dimethyl-amine(2-{4-[1-(2-Fluoro-4-methanesulfonyl-phenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yloxy]-piperidin-1-yl)-5-methyl-pyrimidin-4-yl)-dimethyl-amineSCHEMBL389201MJCNSMVFHGUKLU-UHFFFAOYSA-N
Database identifiers
- PubChem CID
- 21897401
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 128 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 6
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 871
Related reactions
3 records
Compound notes
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