6-[(Cyclopropylcarbonyl)amino]-4-[[3-(5-fluoro-2-pyrimidinyl)-2-methoxyphenyl...
C22H18D3FN6O3
1771691-34-9 Copyright (C) 2025 ACS
 35 38  0  0  0  0  0  0  0  0999 V2000
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    2.1037    9.3360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  ISO  3  33   2  34   2  35   2
M  END
> <cas.rn>
1771691-34-9

> <ca.index.name>
3-Pyridinecarboxamide, 6-[(cyclopropylcarbonyl)amino]-4-[[3-(5-fluoro-2-pyrimidinyl)-2-methoxyphenyl]amino]-N-(methyl-d3)-

> <molecular.formula>
C22H18D3FN6O3

> <smiles.canonical>
O=C(NC)C1=CN=C(C=C1NC2=CC=CC(C3=NC=C(F)C=N3)=C2OC)NC(=O)C4CC4

> <smiles.isomeric>
O(C)C1=C(C=CC=C1NC=2C(C(NC([2H])([2H])[2H])=O)=CN=C(NC(=O)C3CC3)C2)C=4N=CC(F)=CN4

> <molecular.weight>
439.46

> <boiling.point.predicted>
619.797±55.00 °C    Press: 760.00 Torr

> <density.predicted>
1.402±0.06 g/cm3    Temp: 25 °C; Press: 760 Torr

> <pka.predicted>
10.009±0.50    Most Acidic Temp: 25 °C

$$$$
