
 CHEMBL3769758

 46 49  0  0  0  0  0  0  0  0999 V2000
    1.0818    0.2006   -1.6977 C   0  0  0  0  0
    2.3627   -0.0550   -0.9926 C   0  0  0  0  0
    2.9801   -1.2409   -0.6167 C   0  0  0  0  0
    4.1815   -0.9828    0.0029 N   0  0  0  0  0
    4.2890    0.3250    0.0457 C   0  0  0  0  0
    3.2013    0.9513   -0.5457 N   0  0  0  0  0
    3.0580    2.3390   -0.6187 C   0  0  0  0  0
    4.0002    3.1615   -0.0959 C   0  0  0  0  0
    5.1696    2.5000    0.5107 C   0  0  0  0  0
    5.3016    1.1616    0.5771 C   0  0  0  0  0
    3.9104    4.5643   -0.0911 N   0  0  0  0  0
    3.2211    5.1544   -1.1480 C   0  0  0  0  0
    3.0673    6.4817   -1.2379 C   0  0  0  0  0
    3.6133    7.3561   -0.2339 C   0  0  0  0  0
    4.2988    6.8337    0.7924 C   0  0  0  0  0
    4.4805    5.3606    0.9210 C   0  0  0  0  0
    5.0773    4.9647    1.9211 O   0  0  0  0  0
    3.3514    8.6836   -0.4740 O   0  0  0  0  0
    3.8257    9.6284    0.4883 C   0  0  0  0  0
    3.4430   11.0251    0.0582 C   0  0  0  0  0
    2.7627   11.8801    0.9408 C   0  0  0  0  0
    2.4472   13.1850    0.5582 C   0  0  0  0  0
    2.8140   13.6378   -0.7031 C   0  0  0  0  0
    3.4896   12.8101   -1.5913 C   0  0  0  0  0
    3.8062   11.5048   -1.2112 C   0  0  0  0  0
    2.5155   14.8921   -1.0660 F   0  0  0  0  0
    2.5474   -2.6539   -0.8213 C   0  0  0  0  0
    1.3041   -2.9369   -0.0928 C   0  0  0  0  0
    0.3028   -3.1704    0.4491 N   0  0  0  0  0
    0.6058   -0.7328   -2.0126 H   0  0  0  0  0
    1.2485    0.8042   -2.5956 H   0  0  0  0  0
    0.3814    0.7307   -1.0443 H   0  0  0  0  0
    2.1359    2.6875   -1.0614 H   0  0  0  0  0
    5.9815    3.1097    0.8947 H   0  0  0  0  0
    6.1760    0.7012    1.0239 H   0  0  0  0  0
    2.8333    4.5289   -1.9452 H   0  0  0  0  0
    2.5423    6.9264   -2.0780 H   0  0  0  0  0
    4.7438    7.4139    1.5882 H   0  0  0  0  0
    4.9190    9.5801    0.5664 H   0  0  0  0  0
    3.3815    9.4062    1.4663 H   0  0  0  0  0
    2.4749   11.5374    1.9325 H   0  0  0  0  0
    1.9218   13.8507    1.2355 H   0  0  0  0  0
    3.7672   13.1861   -2.5706 H   0  0  0  0  0
    4.3377   10.8598   -1.9082 H   0  0  0  0  0
    3.3343   -3.3367   -0.4811 H   0  0  0  0  0
    2.4067   -2.8385   -1.8921 H   0  0  0  0  0
  1  2  1  0  0  0
  1 30  1  0  0  0
  1 31  1  0  0  0
  1 32  1  0  0  0
  2  3  2  0  0  0
  2  6  1  0  0  0
  3  4  1  0  0  0
  3 27  1  0  0  0
  4  5  2  0  0  0
  5 10  1  0  0  0
  5  6  1  0  0  0
  6  7  1  0  0  0
  7  8  2  0  0  0
  7 33  1  0  0  0
  8  9  1  0  0  0
  8 11  1  0  0  0
  9 10  2  0  0  0
  9 34  1  0  0  0
 10 35  1  0  0  0
 11 12  1  0  0  0
 11 16  1  0  0  0
 12 13  2  0  0  0
 12 36  1  0  0  0
 13 14  1  0  0  0
 13 37  1  0  0  0
 14 15  2  0  0  0
 14 18  1  0  0  0
 15 16  1  0  0  0
 15 38  1  0  0  0
 16 17  2  0  0  0
 18 19  1  0  0  0
 19 20  1  0  0  0
 19 39  1  0  0  0
 19 40  1  0  0  0
 20 21  2  0  0  0
 20 25  1  0  0  0
 21 22  1  0  0  0
 21 41  1  0  0  0
 22 23  2  0  0  0
 22 42  1  0  0  0
 23 24  1  0  0  0
 23 26  1  0  0  0
 24 25  2  0  0  0
 24 43  1  0  0  0
 25 44  1  0  0  0
 27 28  1  0  0  0
 27 45  1  0  0  0
 27 46  1  0  0  0
 28 29  3  0  0  0
M  END

>  <Chemical Name>
CHEMBL3769758

>  <PubChem CID>
89702355

>  <Formula>
C22H17FN4O2

>  <Molecular Weight>
388.402000

>  <IUPAC Name>
2-[6-[4-[(4-fluorophenyl)methoxy]-2-oxopyridin-1-yl]-3-methylimidazo[1,2-a]pyridin-2-yl]acetonitrile

>  <XlogP>
3.2

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CC1=C(N=C2N1C=C(C=C2)N3C=CC(=CC3=O)OCC4=CC=C(C=C4)F)CC#N

>  <Isomeric SMILES>
CC1=C(N=C2N1C=C(C=C2)N3C=CC(=CC3=O)OCC4=CC=C(C=C4)F)CC#N

>  <InChI Std. ID>
InChI=1S/C22H17FN4O2/c1-15-20(8-10-24)25-21-7-6-18(13-27(15)21)26-11-9-19(12-22(26)28)29-14-16-2-4-17(23)5-3-16/h2-7,9,11-13H,8,14H2,1H3

>  <InChI Key>
GBEKQHJQGUQKCW-UHFFFAOYSA-N

