
 CHEMBL380054

 42 45  0  0  0  0  0  0  0  0999 V2000
    0.8024    1.0996   -0.3625 C   0  0  0  0  0
   -0.7471    1.1390   -0.2958 C   0  0  0  0  0
   -1.3667   -0.1339   -0.7429 N   0  0  0  0  0
   -0.7111   -1.3496   -0.2011 C   0  0  0  0  0
    0.8252   -1.2759   -0.3280 C   0  0  0  0  0
    1.4481   -0.0713    0.2716 N   0  0  0  0  0
    1.2850   -0.0110    1.7382 C   0  0  0  0  0
    1.9344   -1.1820    2.4090 C   0  0  0  0  0
    3.2561   -1.3590    2.7700 C   0  0  0  0  0
    3.3272   -2.6128    3.3191 N   0  0  0  0  0
    4.4254   -3.2954    3.8360 C   0  0  0  0  0
    4.2558   -4.5386    4.3188 C   0  0  0  0  0
    2.9256   -5.1319    4.2838 C   0  0  0  0  0
    1.8678   -4.4616    3.7868 C   0  0  0  0  0
    2.0421   -3.1435    3.2780 C   0  0  0  0  0
    1.1875   -2.2961    2.7465 N   0  0  0  0  0
   -2.7748   -0.1312   -0.8073 C   0  0  0  0  0
   -3.4682    0.9500   -1.3870 C   0  0  0  0  0
   -4.8656    0.9771   -1.4736 C   0  0  0  0  0
   -5.6002   -0.0947   -0.9963 C   0  0  0  0  0
   -4.9618   -1.1912   -0.4433 C   0  0  0  0  0
   -3.5640   -1.2079   -0.3570 C   0  0  0  0  0
   -6.9366   -0.0752   -1.0802 F   0  0  0  0  0
    1.1013    1.1137   -1.4197 H   0  0  0  0  0
    1.2079    2.0253    0.0647 H   0  0  0  0  0
   -1.0561    1.9767   -0.9291 H   0  0  0  0  0
   -1.0703    1.3642    0.7280 H   0  0  0  0  0
   -0.9903   -1.4953    0.8494 H   0  0  0  0  0
   -1.0367   -2.2307   -0.7679 H   0  0  0  0  0
    1.2736   -2.1921    0.0718 H   0  0  0  0  0
    1.0845   -1.2878   -1.3958 H   0  0  0  0  0
    0.2354    0.0374    2.0487 H   0  0  0  0  0
    1.7658    0.9014    2.1137 H   0  0  0  0  0
    4.1227   -0.7238    2.6645 H   0  0  0  0  0
    5.3807   -2.7871    3.8232 H   0  0  0  0  0
    5.0780   -5.1134    4.7304 H   0  0  0  0  0
    2.8095   -6.1392    4.6714 H   0  0  0  0  0
    0.8773   -4.9001    3.7576 H   0  0  0  0  0
   -2.9285    1.7887   -1.8159 H   0  0  0  0  0
   -5.3753    1.8232   -1.9222 H   0  0  0  0  0
   -5.5471   -2.0303   -0.0821 H   0  0  0  0  0
   -3.1149   -2.0900    0.0887 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
 13 37  1  0  0  0
 14 15  1  0  0  0
 14 38  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 39  1  0  0  0
 19 20  2  0  0  0
 19 40  1  0  0  0
 20 21  1  0  0  0
 20 23  1  0  0  0
 21 22  2  0  0  0
 21 41  1  0  0  0
 22 42  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL380054

>  <PubChem CID>
1248739

>  <Formula>
C18H19FN4

>  <Molecular Weight>
310.376000

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

>  <XlogP>
3.3

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
4

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

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

>  <InChI Std. ID>
InChI=1S/C18H19FN4/c19-15-4-6-17(7-5-15)22-11-9-21(10-12-22)13-16-14-23-8-2-1-3-18(23)20-16/h1-8,14H,9-13H2

>  <InChI Key>
BIARYCFROFVWEW-UHFFFAOYSA-N

