2-Propen-1-one, 1-[(3R)-3-[[7-(8-ethynyl-7-fluoro-1-naphthalenyl)-8-fluoro-2-...
C35H33F3N6O2
2925468-57-9 Copyright (C) 2025 ACS
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M  END
> <cas.rn>
2925468-57-9

> <ca.index.name>
2-Propen-1-one, 1-[(3R)-3-[[7-(8-ethynyl-7-fluoro-1-naphthalenyl)-8-fluoro-2-[[(2R,7aS)-2-fluorotetrahydro-1H-pyrrolizin-7a(5H)-yl]methoxy]pyrido[4,3-d]pyrimidin-4-yl]methylamino]-1-pyrrolidinyl]-

> <molecular.formula>
C35H33F3N6O2

> <smiles.canonical>
O=C(C=C)N1CCC(N(C2=NC(=NC3=C(F)C(=NC=C32)C4=CC=CC5=CC=C(F)C(C#C)=C54)OCC67N(CCC6)CC(F)C7)C)C1

> <smiles.isomeric>
C(OC1=NC2=C(C(N(C)[C@H]3CN(C(C=C)=O)CC3)=N1)C=NC(=C2F)C=4C5=C(C=CC4)C=CC(F)=C5C#C)[C@@]67N(C[C@H](F)C6)CCC7

> <molecular.weight>
626.67

> <boiling.point.predicted>
759.349±70.00 °C    Press: 760.00 Torr

> <density.predicted>
1.405±0.10 g/cm3    Temp: 25 °C; Press: 760 Torr

> <pka.predicted>
7.116±0.60    Most Basic Temp: 25 °C

$$$$
