Lirafugratinib
N-[4-[4-amino-5-[3-fluoro-4-(4-methylpyrimidin-2-yl)oxyphenyl]-7-methylpyrrolo[2,3-d]pyrimidin-6-yl]phenyl]-2-methylprop-2-enamide
Molecular Identity
Lirafugratinib
N-[4-[4-amino-5-[3-fluoro-4-(4-methylpyrimidin-2-yl)oxyphenyl]-7-methylpyrrolo[2,3-d]pyrimidin-6-yl]phenyl]-2-methylprop-2-enamide
PubChem CID: 155309155
2D Structure
Properties
C28H24FN7O2
Molecular Formula
509.50
Molecular Weight
g/mol
509.1976
Exact Mass
Da
4.3
XLogP
Drug-like (Lipinski: < 5)
121
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
8
H-Bond Acceptors
840
Complexity
SMILES
Canonical SMILES
SMILES: CC1=NC(=NC=C1)OC2=C(C=C(C=C2)C3=C(N(C4=NC=NC(=C34)N)C)C5=CC=C(C=C5)NC(=O)C(=C)C)FIsomeric SMILES
SMILES: CC1=NC(=NC=C1)OC2=C(C=C(C=C2)C3=C(N(C4=NC=NC(=C34)N)C)C5=CC=C(C=C5)NC(=O)C(=C)C)FSynonyms(20)
Lirafugratinib2549174-42-5RLY-4008RLY40087HY6IMH87SRly 4008N-(4-(4-amino-5-(3-fluoro-4-((4-methylpyrimidin-2-yl)oxy)phenyl)-7-methyl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl)methacrylamideN-[4-[4-amino-5-[3-fluoro-4-(4-methylpyrimidin-2-yl)oxyphenyl]-7-methylpyrrolo[2,3-d]pyrimidin-6-yl]phenyl]-2-methylprop-2-enamideexample 343 [WO2020231990A1]2-Propenamide, N-(4-(4-amino-5-(3-fluoro-4-((4-methyl-2-pyrimidinyl)oxy)phenyl)-7-methyl-7H-pyrrolo(2,3-d)pyrimidin-6-yl)phenyl)-2-methyl-2-Propenamide, N-[4-[4-amino-5-[3-fluoro-4-[(4-methyl-2-pyrimidinyl)oxy]phenyl]-7-methyl-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenyl]-2-methyl-N-[4-(4-amino-5-{3-fluoro-4-[(4-methylpyrimidin-2-yl)oxy]phenyl}-7-methyl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]-2-methylprop-2-enamideexample 343 (WO2020231990A1)N-(4-(4-amino-5-(3-fluoro-4-((4-methylpyrimidin-2-yl)oxy)phenyl)-7-methyl-7H-pyrrolo(2,3-d)pyrimidin-6-yl)phenyl)-2-methylprop-2-enamideN-(4-(4-amino-5-(3-fluoro-4-((4-methylpyrimidin-2-yl)oxy)phenyl)-7-methyl-7H-pyrrolo(2,3-d)pyrimidin-6-yl)phenyl)methacrylamide
Data from PubChem (NCBI)
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