Lifirafenib
5-[[(1R,1aS,6bR)-1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one
Molecular Identity
Lifirafenib
5-[[(1R,1aS,6bR)-1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one
PubChem CID: 89670174
2D Structure
Properties
C25H17F3N4O3
Molecular Formula
478.40
Molecular Weight
g/mol
478.1253
Exact Mass
Da
3.7
XLogP
Drug-like (Lipinski: < 5)
89.1
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
8
H-Bond Acceptors
845
Complexity
SMILES
Canonical SMILES
SMILES: C1CC(=O)NC2=NC=CC(=C21)OC3=CC4=C(C=C3)OC5C4C5C6=NC7=C(N6)C=C(C=C7)C(F)(F)FIsomeric SMILES
SMILES: C1CC(=O)NC2=NC=CC(=C21)OC3=CC4=C(C=C3)O[C@H]5[C@@H]4[C@@H]5C6=NC7=C(N6)C=C(C=C7)C(F)(F)FSynonyms(20)
lifirafenibBGB-2831446090-79-4Beigene-283Bgb 2838762XZS5ZF5-(((1R,1aS,6bR)-1-(6-(Trifluoromethyl)-1H-benzimidazol-2-yl)-1a,6b-dihydro-1H-cyclopropa(b)benzofuran-5-yl)oxy)-3,4-dihydro-1H-1,8-naphthyridin-2-one5-[[(1R,1aS,6bR)-1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one1,8-Naphthyridin-2(1H)-one, 5-(((1R,1aS,6bR)-1a,6b-dihydro-1-(6-(trifluoromethyl)-1H-benzimidazol-2-yl)-1H-cyclopropa(b)benzofuran-5-yl)oxy)-3,4-dihydro-1,8-Naphthyridin-2(1H)-one, 5-[[(1R,1aS,6bR)-1a,6b-dihydro-1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1H-cyclopropa[b]benzofuran-5-yl]oxy]-3,4-dihydro-lifirafenibum5-(((1R,1aS,6bR)-1-(6-(trifluoromethyl)-1H-benzimidazol-2-yl)-1a,6b-dihydro-1H-cyclopropa(b)(1)benzofuran-5-yl)oxy)-3,4-dihydro-1H-1,8-naphthyridin-2-one5-[[(1R,1aS,6bR)-1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1a,6b-dihydro-1H-cyclopropa[b]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-oneBegeine-283RefChem:924746
Data from PubChem (NCBI)
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