
 SCHEMBL1447845

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M  END

>  <Chemical Name>
SCHEMBL1447845

>  <PubChem CID>
58190317

>  <Formula>
C21H21F3N6O4

>  <Molecular Weight>
478.432000

>  <IUPAC Name>
[3-(trifluoromethyl)oxetan-3-yl] (3R)-4-[5-[(3-cyanopyridin-4-yl)methoxy]pyrimidin-2-yl]-3-methylpiperazine-1-carboxylate

>  <XlogP>
1.5

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
12

>  <Canonical SMILES>
CC1CN(CCN1C2=NC=C(C=N2)OCC3=C(C=NC=C3)C#N)C(=O)OC4(COC4)C(F)(F)F

>  <Isomeric SMILES>
C[C@@H]1CN(CCN1C2=NC=C(C=N2)OCC3=C(C=NC=C3)C#N)C(=O)OC4(COC4)C(F)(F)F

>  <InChI Std. ID>
InChI=1S/C21H21F3N6O4/c1-14-10-29(19(31)34-20(12-32-13-20)21(22,23)24)4-5-30(14)18-27-8-17(9-28-18)33-11-15-2-3-26-7-16(15)6-25/h2-3,7-9,14H,4-5,10-13H2,1H3/t14-/m1/s1

>  <InChI Key>
GFSWORTTYOAWML-CQSZACIVSA-N

