I76

3-{6-[(3-chlorobenzyl)oxy]naphthalen-2-yl}-1-(propan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine


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Chemical Component Summary

Name3-{6-[(3-chlorobenzyl)oxy]naphthalen-2-yl}-1-(propan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
Identifiers3-[6-[(3-chlorophenyl)methoxy]naphthalen-2-yl]-1-propan-2-yl-pyrazolo[3,4-d]pyrimidin-4-amine
FormulaC25 H22 Cl N5 O
Molecular Weight443.928
TypeNON-POLYMER
Isomeric SMILESCC(C)n1c2c(c(n1)c3ccc4cc(ccc4c3)OCc5cccc(c5)Cl)c(ncn2)N
InChIInChI=1S/C25H22ClN5O/c1-15(2)31-25-22(24(27)28-14-29-25)23(30-31)19-7-6-18-12-21(9-8-17(18)11-19)32-13-16-4-3-5-20(26)10-16/h3-12,14-15H,13H2,1-2H3,(H2,27,28,29)
InChIKeyMGARWHQGMCYTAL-UHFFFAOYSA-N

Chemical Details

Formal Charge0
Atom Count54
Chiral Atom Count0
Bond Count58
Aromatic Bond Count27

Related Resource References

Resource NameReference
PubChem 53345021
ChEMBL CHEMBL2078817