
 CHEMBL88160

 72 75  0  0  0  0  0  0  0  0999 V2000
    3.3635    1.5997   -2.6138 C   0  0  0  0  0
    4.0598    1.0606   -1.4180 C   0  0  0  0  0
    4.8559   -0.0095   -1.5700 N   0  0  0  0  0
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    5.7790   -2.1862   -0.1467 H   0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL88160

>  <PubChem CID>
9893282

>  <Formula>
C26H34F3N7O2

>  <Molecular Weight>
533.600000

>  <IUPAC Name>
N,N,1,3-tetramethyl-4-[3-[4-[2-(2,2,2-trifluoroethoxy)phenyl]piperazin-1-yl]propylamino]pyrazolo[3,4-b]pyridine-5-carboxamide

>  <XlogP>
4.3

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
10

>  <Canonical SMILES>
CC1=NN(C2=NC=C(C(=C12)NCCCN3CCN(CC3)C4=CC=CC=C4OCC(F)(F)F)C(=O)N(C)C)C

>  <Isomeric SMILES>
CC1=NN(C2=NC=C(C(=C12)NCCCN3CCN(CC3)C4=CC=CC=C4OCC(F)(F)F)C(=O)N(C)C)C

>  <InChI Std. ID>
InChI=1S/C26H34F3N7O2/c1-18-22-23(19(25(37)33(2)3)16-31-24(22)34(4)32-18)30-10-7-11-35-12-14-36(15-13-35)20-8-5-6-9-21(20)38-17-26(27,28)29/h5-6,8-9,16H,7,10-15,17H2,1-4H3,(H,30,31)

>  <InChI Key>
BSUZYOKJXFBXNY-UHFFFAOYSA-N

