
 CHEMBL3122214

 42 45  0  0  0  0  0  0  0  0999 V2000
    1.1500   -0.1160    0.8437 C   0  0  0  0  0
    2.5670   -0.0733    0.5821 N   0  0  0  0  0
    3.2507    0.9730    0.0418 C   0  0  0  0  0
    2.7572    2.1706   -0.3416 N   0  0  0  0  0
    3.7237    2.9661   -0.8411 C   0  0  0  0  0
    5.0593    2.5831   -0.9356 C   0  0  0  0  0
    5.5389    1.3605   -0.5794 N   0  0  0  0  0
    4.5718    0.5520   -0.0504 C   0  0  0  0  0
    4.5806   -0.7774    0.4704 C   0  0  0  0  0
    3.3388   -1.1381    0.8745 N   0  0  0  0  0
    5.7106   -1.7146    0.5487 C   0  0  0  0  0
    7.0093   -1.3302    0.9016 C   0  0  0  0  0
    7.9971   -2.3197    0.9609 C   0  0  0  0  0
    7.6814   -3.6376    0.6464 C   0  0  0  0  0
    6.3783   -3.9298    0.2934 C   0  0  0  0  0
    5.3995   -3.0053    0.2299 N   0  0  0  0  0
    7.2912   -0.0522    1.3034 O   0  0  0  0  0
    8.2926    0.5547    0.4934 C   0  0  0  0  0
    8.2608    1.8912    0.7314 F   0  0  0  0  0
    9.5133    0.1303    0.9118 F   0  0  0  0  0
    3.4007    4.2498   -1.2297 O   0  0  0  0  0
    2.0437    4.3728   -1.6843 C   0  0  0  0  0
    1.0213    4.6618   -0.6038 C   0  0  0  0  0
    1.3544    5.3989    0.5307 C   0  0  0  0  0
    0.3651    5.6738    1.4719 C   0  0  0  0  0
   -0.9297    5.2192    1.2544 C   0  0  0  0  0
   -1.1847    4.5086    0.0954 C   0  0  0  0  0
   -0.2474    4.2294   -0.8363 N   0  0  0  0  0
    0.8150   -1.1564    0.8407 H   0  0  0  0  0
    0.6231    0.4364    0.0617 H   0  0  0  0  0
    0.9699    0.3381    1.8206 H   0  0  0  0  0
    5.8010    3.2746   -1.3224 H   0  0  0  0  0
    9.0073   -2.0860    1.2854 H   0  0  0  0  0
    8.4294   -4.4214    0.6970 H   0  0  0  0  0
    6.0716   -4.9448    0.0550 H   0  0  0  0  0
    8.1745    0.3716   -0.5804 H   0  0  0  0  0
    1.7462    3.5030   -2.2858 H   0  0  0  0  0
    2.0313    5.2297   -2.3686 H   0  0  0  0  0
    2.3687    5.7519    0.6875 H   0  0  0  0  0
    0.6045    6.2394    2.3678 H   0  0  0  0  0
   -1.7208    5.4167    1.9686 H   0  0  0  0  0
   -2.1811    4.1351   -0.1244 H   0  0  0  0  0
  1  2  1  0  0  0
  1 29  1  0  0  0
  1 30  1  0  0  0
  1 31  1  0  0  0
  2 10  1  0  0  0
  2  3  1  0  0  0
  3  8  1  0  0  0
  3  4  2  0  0  0
  4  5  1  0  0  0
  5  6  2  0  0  0
  5 21  1  0  0  0
  6  7  1  0  0  0
  6 32  1  0  0  0
  7  8  2  0  0  0
  8  9  1  0  0  0
  9 10  2  0  0  0
  9 11  1  0  0  0
 11 12  2  0  0  0
 11 16  1  0  0  0
 12 13  1  0  0  0
 12 17  1  0  0  0
 13 14  2  0  0  0
 13 33  1  0  0  0
 14 15  1  0  0  0
 14 34  1  0  0  0
 15 16  2  0  0  0
 15 35  1  0  0  0
 17 18  1  0  0  0
 18 20  1  0  0  0
 18 19  1  0  0  0
 18 36  1  0  0  0
 21 22  1  0  0  0
 22 23  1  0  0  0
 22 37  1  0  0  0
 22 38  1  0  0  0
 23 24  2  0  0  0
 23 28  1  0  0  0
 24 25  1  0  0  0
 24 39  1  0  0  0
 25 26  2  0  0  0
 25 40  1  0  0  0
 26 27  1  0  0  0
 26 41  1  0  0  0
 27 28  2  0  0  0
 27 42  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL3122214

>  <PubChem CID>
76336233

>  <Formula>
C18H14F2N6O2

>  <Molecular Weight>
384.347000

>  <IUPAC Name>
3-[3-(difluoromethoxy)pyridin-2-yl]-1-methyl-6-(pyridin-2-ylmethoxy)pyrazolo[3,4-b]pyrazine

>  <XlogP>
2.2

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
9

>  <Canonical SMILES>
CN1C2=NC(=CN=C2C(=N1)C3=C(C=CC=N3)OC(F)F)OCC4=CC=CC=N4

>  <Isomeric SMILES>
CN1C2=NC(=CN=C2C(=N1)C3=C(C=CC=N3)OC(F)F)OCC4=CC=CC=N4

>  <InChI Std. ID>
InChI=1S/C18H14F2N6O2/c1-26-17-16(15(25-26)14-12(28-18(19)20)6-4-8-22-14)23-9-13(24-17)27-10-11-5-2-3-7-21-11/h2-9,18H,10H2,1H3

>  <InChI Key>
ALTIRUHSTCYURC-UHFFFAOYSA-N

