
 CHEMBL3769928

 48 52  0  0  0  0  0  0  0  0999 V2000
    0.1293    0.0522    0.1155 C   0  0  0  0  0
    1.5260   -0.4309    0.0017 C   0  0  0  0  0
    2.0654   -1.7016   -0.0636 C   0  0  0  0  0
    3.4316   -1.6684   -0.1565 N   0  0  0  0  0
    3.7452   -0.3933   -0.1606 C   0  0  0  0  0
    2.6205    0.4149   -0.0703 N   0  0  0  0  0
    2.6760    1.8115   -0.0717 C   0  0  0  0  0
    3.8629    2.4589   -0.1666 C   0  0  0  0  0
    5.0606    1.6023   -0.2395 C   0  0  0  0  0
    5.0013    0.2572   -0.2376 C   0  0  0  0  0
    4.0024    3.8576   -0.2025 N   0  0  0  0  0
    3.0411    4.6035    0.4763 C   0  0  0  0  0
    3.0854    5.9411    0.5211 C   0  0  0  0  0
    4.1449    6.6651   -0.1296 C   0  0  0  0  0
    5.0929    5.9897   -0.7939 C   0  0  0  0  0
    5.0588    4.5026   -0.8749 C   0  0  0  0  0
    5.9372    3.9688   -1.5502 O   0  0  0  0  0
    4.0495    8.0257    0.0363 O   0  0  0  0  0
    5.0875    8.8303   -0.5306 C   0  0  0  0  0
    4.8549   10.2887   -0.2198 C   0  0  0  0  0
    3.5686   10.8335   -0.1652 C   0  0  0  0  0
    3.4286   12.1907    0.0817 C   0  0  0  0  0
    4.4673   13.0334    0.2626 N   0  0  0  0  0
    5.7018   12.4943    0.1925 C   0  0  0  0  0
    5.9439   11.1503   -0.0476 C   0  0  0  0  0
    1.2746   -2.9982   -0.0422 C   0  0  0  0  0
    1.7901   -4.1539   -0.8763 C   0  0  0  0  0
    1.9103   -4.2106    0.6072 C   0  0  0  0  0
   -0.5870   -0.7732    0.1443 H   0  0  0  0  0
   -0.1315    0.6852   -0.7389 H   0  0  0  0  0
   -0.0017    0.6350    1.0331 H   0  0  0  0  0
    1.7192    2.3118   -0.0438 H   0  0  0  0  0
    6.0423    2.0648   -0.2608 H   0  0  0  0  0
    5.8980   -0.3501   -0.2831 H   0  0  0  0  0
    2.2569    4.0906    1.0229 H   0  0  0  0  0
    2.3382    6.5047    1.0717 H   0  0  0  0  0
    5.9222    6.4507   -1.3114 H   0  0  0  0  0
    5.1055    8.7096   -1.6206 H   0  0  0  0  0
    6.0507    8.5233   -0.1044 H   0  0  0  0  0
    2.6872   10.2170   -0.3092 H   0  0  0  0  0
    2.4458   12.6498    0.1383 H   0  0  0  0  0
    6.5208   13.1935    0.3350 H   0  0  0  0  0
    6.9663   10.7898   -0.0983 H   0  0  0  0  0
    0.1990   -2.9024    0.0444 H   0  0  0  0  0
    2.6974   -4.0090   -1.4533 H   0  0  0  0  0
    1.0596   -4.7932   -1.3568 H   0  0  0  0  0
    1.2633   -4.8909    1.1474 H   0  0  0  0  0
    2.9001   -4.1058    1.0388 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  3  2  0  0  0
  2  6  1  0  0  0
  3  4  1  0  0  0
  3 26  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 32  1  0  0  0
  8  9  1  0  0  0
  8 11  1  0  0  0
  9 10  2  0  0  0
  9 33  1  0  0  0
 10 34  1  0  0  0
 11 12  1  0  0  0
 11 16  1  0  0  0
 12 13  2  0  0  0
 12 35  1  0  0  0
 13 14  1  0  0  0
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 14 15  2  0  0  0
 14 18  1  0  0  0
 15 16  1  0  0  0
 15 37  1  0  0  0
 16 17  2  0  0  0
 18 19  1  0  0  0
 19 20  1  0  0  0
 19 38  1  0  0  0
 19 39  1  0  0  0
 20 21  2  0  0  0
 20 25  1  0  0  0
 21 22  1  0  0  0
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 22 23  2  0  0  0
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 28 48  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL3769928

>  <PubChem CID>
89690222

>  <Formula>
C22H20N4O2

>  <Molecular Weight>
372.428000

>  <IUPAC Name>
1-(2-cyclopropyl-3-methylimidazo[1,2-a]pyridin-6-yl)-4-(pyridin-4-ylmethoxy)pyridin-2-one

>  <XlogP>
2.9

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CC1=C(N=C2N1C=C(C=C2)N3C=CC(=CC3=O)OCC4=CC=NC=C4)C5CC5

>  <Isomeric SMILES>
CC1=C(N=C2N1C=C(C=C2)N3C=CC(=CC3=O)OCC4=CC=NC=C4)C5CC5

>  <InChI Std. ID>
InChI=1S/C22H20N4O2/c1-15-22(17-2-3-17)24-20-5-4-18(13-26(15)20)25-11-8-19(12-21(25)27)28-14-16-6-9-23-10-7-16/h4-13,17H,2-3,14H2,1H3

>  <InChI Key>
CXWXKURWVRBSPN-UHFFFAOYSA-N

