2-Buten-1-one, 4-(dimethylamino)-1-[4-[4-[[3-methyl-4-([1,2,4]triazolo[1,5-a]...
C30H33N9O2
3031413-24-5 Copyright (C) 2026 ACS
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M  END
> <cas.rn>
3031413-24-5

> <ca.index.name>
2-Buten-1-one, 4-(dimethylamino)-1-[4-[4-[[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]amino]pyrrolo[2,1-f][1,2,4]triazin-5-yl]-1-piperidinyl]-, (2E)-

> <molecular.formula>
C30H33N9O2

> <smiles.canonical>
O=C(C=CCN(C)C)N1CCC(C=2C=CN3N=CN=C(NC4=CC=C(OC=5C=CN6N=CN=C6C5)C(=C4)C)C23)CC1

> <smiles.isomeric>
N(C=1C2=C(C=CN2N=CN1)C3CCN(C(/C=C/CN(C)C)=O)CC3)C4=CC(C)=C(OC5=CC=6N(C=C5)N=CN6)C=C4

> <molecular.weight>
551.64

> <density.predicted>
1.341±0.14 g/cm3    Temp: 25 °C; Press: 760 Torr

> <pka.predicted>
8.380±0.28    Most Basic Temp: 25 °C

$$$$
