ZZO

2-{[4-amino-3-(3-fluoro-4-hydroxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]methyl}-5-methyl-3-(2-methylphenyl)quinazolin-4(3H)-one


Toggle HydrogenToggle Labels

Chemical Component Summary

Name2-{[4-amino-3-(3-fluoro-4-hydroxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]methyl}-5-methyl-3-(2-methylphenyl)quinazolin-4(3H)-one
Identifiers2-[[4-amino-3-(3-fluoro-4-hydroxy-phenyl)pyrazolo[4,5-e]pyrimidin-1-yl]methyl]-5-methyl-3-(2-methylphenyl)quinazolin-4-one
FormulaC28 H22 F N7 O2
Molecular Weight507.518
TypeNON-POLYMER
Isomeric SMILESCc1ccccc1N2C(=Nc3cccc(c3C2=O)C)Cn4c5c(c(n4)c6ccc(c(c6)F)O)c(ncn5)N
InChIInChI=1S/C28H22FN7O2/c1-15-6-3-4-9-20(15)36-22(33-19-8-5-7-16(2)23(19)28(36)38)13-35-27-24(26(30)31-14-32-27)25(34-35)17-10-11-21(37)18(29)12-17/h3-12,14,37H,13H2,1-2H3,(H2,30,31,32)
InChIKeyTYLTZPAGUBOPCU-UHFFFAOYSA-N

Chemical Details

Formal Charge0
Atom Count60
Chiral Atom Count0
Bond Count65
Aromatic Bond Count29

Related Resource References

Resource NameReference
Pharos CHEMBL1213085
PubChem 135566371
ChEMBL CHEMBL1213085