
 CHEMBL377542

 41 44  0  0  0  0  0  0  0  0999 V2000
    0.7632    1.0730   -0.2961 C   0  0  0  0  0
   -0.7899    1.0557   -0.2699 C   0  0  0  0  0
   -1.3111   -0.2030   -0.8472 N   0  0  0  0  0
   -0.7028   -1.4127   -0.2620 C   0  0  0  0  0
    0.8353   -1.3243   -0.3658 C   0  0  0  0  0
    1.4397   -0.1235    0.2665 N   0  0  0  0  0
    1.3277   -0.1318    1.7376 C   0  0  0  0  0
    2.0227   -1.3222    2.3289 C   0  0  0  0  0
    3.3560   -1.6920    2.2361 C   0  0  0  0  0
    3.4452   -2.8870    2.8899 N   0  0  0  0  0
    4.4926   -3.7620    3.1071 C   0  0  0  0  0
    4.2454   -4.8860    3.8027 C   0  0  0  0  0
    3.0039   -5.2234    4.3226 N   0  0  0  0  0
    2.0146   -4.3926    4.1100 C   0  0  0  0  0
    2.1961   -3.1758    3.3695 C   0  0  0  0  0
    1.3054   -2.2633    3.0501 N   0  0  0  0  0
   -2.6938   -0.2065   -1.0667 C   0  0  0  0  0
   -3.5873   -1.0305   -0.3642 C   0  0  0  0  0
   -4.9575   -1.0202   -0.6462 C   0  0  0  0  0
   -5.4461   -0.1893   -1.6437 C   0  0  0  0  0
   -4.5926    0.6364   -2.3587 C   0  0  0  0  0
   -3.2263    0.6278   -2.0662 C   0  0  0  0  0
   -6.7561   -0.1891   -1.9222 F   0  0  0  0  0
    1.0843    1.1687   -1.3419 H   0  0  0  0  0
    1.1256    1.9793    0.2047 H   0  0  0  0  0
   -1.1428    1.9267   -0.8349 H   0  0  0  0  0
   -1.1491    1.1666    0.7610 H   0  0  0  0  0
   -1.0002   -1.5343    0.7863 H   0  0  0  0  0
   -1.0304   -2.3020   -0.8145 H   0  0  0  0  0
    1.2817   -2.2459    0.0230 H   0  0  0  0  0
    1.1101   -1.3071   -1.4296 H   0  0  0  0  0
    0.2865   -0.1137    2.0783 H   0  0  0  0  0
    1.8113    0.7664    2.1426 H   0  0  0  0  0
    4.1979   -1.2295    1.7418 H   0  0  0  0  0
    5.4635   -3.5069    2.7037 H   0  0  0  0  0
    5.0417   -5.6025    3.9903 H   0  0  0  0  0
    1.0147   -4.6278    4.5067 H   0  0  0  0  0
   -3.2380   -1.6876    0.4264 H   0  0  0  0  0
   -5.6398   -1.6585   -0.0951 H   0  0  0  0  0
   -4.9867    1.2706   -3.1452 H   0  0  0  0  0
   -2.5599    1.2546   -2.6542 H   0  0  0  0  0
  1  6  1  0  0  0
  1  2  1  0  0  0
  1 24  1  0  0  0
  1 25  1  0  0  0
  2  3  1  0  0  0
  2 26  1  0  0  0
  2 27  1  0  0  0
  3  4  1  0  0  0
  3 17  1  0  0  0
  4  5  1  0  0  0
  4 28  1  0  0  0
  4 29  1  0  0  0
  5  6  1  0  0  0
  5 30  1  0  0  0
  5 31  1  0  0  0
  6  7  1  0  0  0
  7  8  1  0  0  0
  7 32  1  0  0  0
  7 33  1  0  0  0
  8 16  1  0  0  0
  8  9  2  0  0  0
  9 10  1  0  0  0
  9 34  1  0  0  0
 10 15  1  0  0  0
 10 11  1  0  0  0
 11 12  2  0  0  0
 11 35  1  0  0  0
 12 13  1  0  0  0
 12 36  1  0  0  0
 13 14  2  0  0  0
 14 15  1  0  0  0
 14 37  1  0  0  0
 15 16  2  0  0  0
 17 18  2  0  0  0
 17 22  1  0  0  0
 18 19  1  0  0  0
 18 38  1  0  0  0
 19 20  2  0  0  0
 19 39  1  0  0  0
 20 21  1  0  0  0
 20 23  1  0  0  0
 21 22  2  0  0  0
 21 40  1  0  0  0
 22 41  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL377542

>  <PubChem CID>
11659604

>  <Formula>
C17H18FN5

>  <Molecular Weight>
311.364000

>  <IUPAC Name>
2-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyrazine

>  <XlogP>
2.3

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
C1CN(CCN1CC2=CN3C=CN=CC3=N2)C4=CC=C(C=C4)F

>  <Isomeric SMILES>
C1CN(CCN1CC2=CN3C=CN=CC3=N2)C4=CC=C(C=C4)F

>  <InChI Std. ID>
InChI=1S/C17H18FN5/c18-14-1-3-16(4-2-14)22-9-7-21(8-10-22)12-15-13-23-6-5-19-11-17(23)20-15/h1-6,11,13H,7-10,12H2

>  <InChI Key>
GHAOYUDOVIKTMJ-UHFFFAOYSA-N

