(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

HCID 21897401

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

Related reactions

3 records

Compound notes

Loading…