
 CHEMBL3769682

 48 52  0  0  0  0  0  0  0  0999 V2000
    0.2670    0.2755    0.2751 C   0  0  0  0  0
    1.6505   -0.2084    0.0534 C   0  0  0  0  0
    2.1695   -1.4710   -0.1603 C   0  0  0  0  0
    3.5298   -1.4395   -0.3228 N   0  0  0  0  0
    3.8604   -0.1731   -0.2135 C   0  0  0  0  0
    2.7532    0.6285    0.0235 N   0  0  0  0  0
    2.8295    2.0125    0.1890 C   0  0  0  0  0
    4.0192    2.6580    0.1239 C   0  0  0  0  0
    5.1980    1.8105   -0.1304 C   0  0  0  0  0
    5.1191    0.4751   -0.2890 C   0  0  0  0  0
    4.1677    4.0477    0.2774 N   0  0  0  0  0
    3.2453    4.6835    1.1048 C   0  0  0  0  0
    3.2765    6.0043    1.3166 C   0  0  0  0  0
    4.2769    6.8262    0.6918 C   0  0  0  0  0
    5.2038    6.2578   -0.0920 C   0  0  0  0  0
    5.1902    4.7873   -0.3495 C   0  0  0  0  0
    6.0462    4.3534   -1.1184 O   0  0  0  0  0
    4.1435    8.1546    1.0069 O   0  0  0  0  0
    5.0937    9.0714    0.4535 C   0  0  0  0  0
    4.7843   10.4890    0.8846 C   0  0  0  0  0
    4.2837   10.7643    2.1568 C   0  0  0  0  0
    4.0485   12.0878    2.5199 C   0  0  0  0  0
    4.3298   13.1025    1.6144 C   0  0  0  0  0
    4.8392   12.7498    0.3773 C   0  0  0  0  0
    5.0760   11.4748   -0.0036 N   0  0  0  0  0
    1.3614   -2.7560   -0.2133 C   0  0  0  0  0
    1.8160   -3.8437   -1.1648 C   0  0  0  0  0
    2.0106   -4.0250    0.3008 C   0  0  0  0  0
   -0.4540   -0.5458    0.2992 H   0  0  0  0  0
   -0.0343    0.9569   -0.5271 H   0  0  0  0  0
    0.1919    0.8071    1.2293 H   0  0  0  0  0
    1.8816    2.5125    0.3291 H   0  0  0  0  0
    6.1821    2.2672   -0.1608 H   0  0  0  0  0
    6.0026   -0.1278   -0.4653 H   0  0  0  0  0
    2.5035    4.0914    1.6303 H   0  0  0  0  0
    2.5588    6.4781    1.9793 H   0  0  0  0  0
    5.9907    6.8002   -0.5976 H   0  0  0  0  0
    5.0563    9.0217   -0.6415 H   0  0  0  0  0
    6.1025    8.8221    0.8036 H   0  0  0  0  0
    4.0727    9.9622    2.8573 H   0  0  0  0  0
    3.6500   12.3234    3.5025 H   0  0  0  0  0
    4.1590   14.1427    1.8670 H   0  0  0  0  0
    5.0803   13.5062   -0.3642 H   0  0  0  0  0
    0.2932   -2.6567   -0.0621 H   0  0  0  0  0
    2.6944   -3.6607   -1.7745 H   0  0  0  0  0
    1.0520   -4.4329   -1.6572 H   0  0  0  0  0
    1.3811   -4.7394    0.8170 H   0  0  0  0  0
    3.0224   -3.9669    0.6877 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
 13 36  1  0  0  0
 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
 21 40  1  0  0  0
 22 23  2  0  0  0
 22 41  1  0  0  0
 23 24  1  0  0  0
 23 42  1  0  0  0
 24 25  2  0  0  0
 24 43  1  0  0  0
 26 28  1  0  0  0
 26 27  1  0  0  0
 26 44  1  0  0  0
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 28 47  1  0  0  0
 28 48  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL3769682

>  <PubChem CID>
89690292

>  <Formula>
C22H20N4O2

>  <Molecular Weight>
372.428000

>  <IUPAC Name>
1-(2-cyclopropyl-3-methylimidazo[1,2-a]pyridin-6-yl)-4-(pyridin-2-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=CC=N4)C5CC5

>  <Isomeric SMILES>
CC1=C(N=C2N1C=C(C=C2)N3C=CC(=CC3=O)OCC4=CC=CC=N4)C5CC5

>  <InChI Std. ID>
InChI=1S/C22H20N4O2/c1-15-22(16-5-6-16)24-20-8-7-18(13-26(15)20)25-11-9-19(12-21(25)27)28-14-17-4-2-3-10-23-17/h2-4,7-13,16H,5-6,14H2,1H3

>  <InChI Key>
BMRXFTJAMFWTLI-UHFFFAOYSA-N

