Chemical Component Summary

Name[2-[(6~{R})-2-(3-methylsulfonylphenyl)-6-propan-2-yl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-4-(trifluoromethyl)pyrimidin-5-yl]methanol
Identifiers[2-[(6~{R})-2-(3-methylsulfonylphenyl)-6-propan-2-yl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-4-(trifluoromethyl)pyrimidin-5-yl]methanol
FormulaC21 H22 F3 N5 O3 S
Molecular Weight481.491
TypeNON-POLYMER
Isomeric SMILESCC(C)[C@@H]1c2c(cn(n2)c3cccc(c3)S(=O)(=O)C)CN1c4ncc(c(n4)C(F)(F)F)CO
InChIInChI=1S/C21H22F3N5O3S/c1-12(2)18-17-14(10-29(27-17)15-5-4-6-16(7-15)33(3,31)32)9-28(18)20-25-8-13(11-30)19(26-20)21(22,23)24/h4-8,10,12,18,30H,9,11H2,1-3H3/t18-/m1/s1
InChIKeyNCZXBZJVJRJUSC-GOSISDBHSA-N

Chemical Details

Formal Charge0
Atom Count55
Chiral Atom Count1
Bond Count58
Aromatic Bond Count17

Related Resource References

Resource NameReference
Pharos CHEMBL3932169
PubChem 121596966
ChEMBL CHEMBL3932169