
 CHEMBL3770850

 52 55  0  0  0  0  0  0  0  0999 V2000
    0.8887    0.1270   -0.1882 C   0  0  0  0  0
    2.3631   -0.0387   -0.0956 C   0  0  0  0  0
    3.1238   -1.2037   -0.0226 C   0  0  0  0  0
    4.4718   -0.8835    0.0298 N   0  0  0  0  0
    4.5328    0.4276    0.0202 C   0  0  0  0  0
    3.2708    1.0016   -0.0173 N   0  0  0  0  0
    3.0603    2.3807    0.0407 C   0  0  0  0  0
    4.1011    3.2453    0.1229 C   0  0  0  0  0
    5.4436    2.6401    0.1153 C   0  0  0  0  0
    5.6428    1.3095    0.0684 C   0  0  0  0  0
    3.9535    4.6401    0.2121 N   0  0  0  0  0
    2.8101    5.0996    0.8625 C   0  0  0  0  0
    2.5539    6.4040    1.0060 C   0  0  0  0  0
    3.4590    7.3927    0.4872 C   0  0  0  0  0
    4.5873    7.0023   -0.1221 C   0  0  0  0  0
    4.8998    5.5521   -0.2962 C   0  0  0  0  0
    5.9334    5.2767   -0.9037 O   0  0  0  0  0
    3.0211    8.6726    0.7058 O   0  0  0  0  0
    3.8142    9.7512    0.2114 C   0  0  0  0  0
    3.1168   11.0441    0.5622 C   0  0  0  0  0
    2.8776   11.3748    1.9071 C   0  0  0  0  0
    2.2297   12.5653    2.2390 C   0  0  0  0  0
    1.8226   13.4272    1.2287 C   0  0  0  0  0
    2.0515   13.1217   -0.1076 C   0  0  0  0  0
    2.6987   11.9307   -0.4427 C   0  0  0  0  0
    1.1988   14.5690    1.5469 F   0  0  0  0  0
    2.5931   -2.5832   -0.0289 C   0  0  0  0  0
    1.4888   -2.8252   -0.5201 O   0  0  0  0  0
    3.3619   -3.5967    0.5548 N   0  0  0  0  0
    4.5395   -3.3547    1.3724 C   0  0  0  0  0
    2.9008   -4.9684    0.4616 C   0  0  0  0  0
    0.4769   -0.5110   -0.9762 H   0  0  0  0  0
    0.5866    1.1493   -0.4263 H   0  0  0  0  0
    0.4201   -0.1515    0.7611 H   0  0  0  0  0
    2.0300    2.6994   -0.0072 H   0  0  0  0  0
    6.3158    3.2827    0.1825 H   0  0  0  0  0
    6.6412    0.8866    0.0756 H   0  0  0  0  0
    2.1253    4.3850    1.3074 H   0  0  0  0  0
    1.6665    6.7426    1.5327 H   0  0  0  0  0
    5.3219    7.6787   -0.5351 H   0  0  0  0  0
    3.9246    9.6637   -0.8763 H   0  0  0  0  0
    4.8072    9.7463    0.6773 H   0  0  0  0  0
    3.1875   10.6966    2.6998 H   0  0  0  0  0
    2.0370   12.8224    3.2754 H   0  0  0  0  0
    1.7216   13.8104   -0.8789 H   0  0  0  0  0
    2.8671   11.6981   -1.4919 H   0  0  0  0  0
    5.4093   -3.2533    0.7180 H   0  0  0  0  0
    4.7005   -4.1978    2.0514 H   0  0  0  0  0
    4.4110   -2.4552    1.9799 H   0  0  0  0  0
    2.1666   -5.0989   -0.3380 H   0  0  0  0  0
    2.4401   -5.2439    1.4153 H   0  0  0  0  0
    3.7543   -5.6236    0.2635 H   0  0  0  0  0
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  1 32  1  0  0  0
  1 33  1  0  0  0
  1 34  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
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  6  7  1  0  0  0
  7  8  2  0  0  0
  7 35  1  0  0  0
  8  9  1  0  0  0
  8 11  1  0  0  0
  9 10  2  0  0  0
  9 36  1  0  0  0
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 20 21  2  0  0  0
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M  END

>  <Chemical Name>
CHEMBL3770850

>  <PubChem CID>
89702341

>  <Formula>
C23H21FN4O3

>  <Molecular Weight>
420.444000

>  <IUPAC Name>
6-[4-[(4-fluorophenyl)methoxy]-2-oxopyridin-1-yl]-N,N,3-trimethylimidazo[1,2-a]pyridine-2-carboxamide

>  <XlogP>
3.3

>  <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)C(=O)N(C)C

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

>  <InChI Std. ID>
InChI=1S/C23H21FN4O3/c1-15-22(23(30)26(2)3)25-20-9-8-18(13-28(15)20)27-11-10-19(12-21(27)29)31-14-16-4-6-17(24)7-5-16/h4-13H,14H2,1-3H3

>  <InChI Key>
HHTBYGXDFXXNAF-UHFFFAOYSA-N

