
 CHEMBL3769550

 48 52  0  0  0  0  0  0  0  0999 V2000
    0.7073    0.5600    0.2797 C   0  0  0  0  0
    2.0140   -0.0877    0.0128 C   0  0  0  0  0
    2.3999   -1.4137   -0.0422 C   0  0  0  0  0
    3.7335   -1.5428   -0.3298 N   0  0  0  0  0
    4.1791   -0.3134   -0.4447 C   0  0  0  0  0
    3.1738    0.6231   -0.2461 N   0  0  0  0  0
    3.3862    2.0013   -0.3252 C   0  0  0  0  0
    4.6098    2.5006   -0.6143 C   0  0  0  0  0
    5.6922    1.5082   -0.7860 C   0  0  0  0  0
    5.4808    0.1798   -0.7089 C   0  0  0  0  0
    4.8802    3.8763   -0.7085 N   0  0  0  0  0
    5.8640    4.2568   -1.6103 C   0  0  0  0  0
    6.2218    5.5315   -1.7643 C   0  0  0  0  0
    5.4951    6.4570   -0.9083 C   0  0  0  0  0
    4.5496    6.1809   -0.0900 N   0  0  0  0  0
    4.1769    4.8596    0.0430 C   0  0  0  0  0
    3.2803    4.5748    0.8336 O   0  0  0  0  0
    5.9764    7.7050   -1.1076 O   0  0  0  0  0
    5.4083    8.7389   -0.2872 C   0  0  0  0  0
    6.0940   10.0509   -0.5940 C   0  0  0  0  0
    6.3762   10.4268   -1.9169 C   0  0  0  0  0
    6.9821   11.6546   -2.1947 C   0  0  0  0  0
    7.2986   12.5212   -1.1517 C   0  0  0  0  0
    7.0120   12.1718    0.1657 C   0  0  0  0  0
    6.4077   10.9425    0.4434 C   0  0  0  0  0
    8.0419   14.0348   -1.4934 Cl  0  0  0  0  0
    1.4895   -2.6083    0.1845 C   0  0  0  0  0
    1.7579   -3.8675   -0.6148 C   0  0  0  0  0
    2.0845   -3.8398    0.8380 C   0  0  0  0  0
   -0.0850   -0.1749    0.4464 H   0  0  0  0  0
    0.4050    1.1819   -0.5694 H   0  0  0  0  0
    0.7652    1.1924    1.1715 H   0  0  0  0  0
    2.5106    2.6184   -0.1716 H   0  0  0  0  0
    6.7142    1.8493   -0.9101 H   0  0  0  0  0
    6.2906   -0.5331   -0.8100 H   0  0  0  0  0
    6.3250    3.5048   -2.2423 H   0  0  0  0  0
    6.9655    5.8806   -2.4654 H   0  0  0  0  0
    5.5578    8.4781    0.7675 H   0  0  0  0  0
    4.3375    8.8405   -0.4987 H   0  0  0  0  0
    6.1269    9.7605   -2.7403 H   0  0  0  0  0
    7.2005   11.9276   -3.2235 H   0  0  0  0  0
    7.2527   12.8506    0.9796 H   0  0  0  0  0
    6.1843   10.6863    1.4773 H   0  0  0  0  0
    0.4542   -2.3853    0.4130 H   0  0  0  0  0
    2.5825   -3.8648   -1.3197 H   0  0  0  0  0
    0.9041   -4.4510   -0.9367 H   0  0  0  0  0
    1.4558   -4.4041    1.5157 H   0  0  0  0  0
    3.1314   -3.8184    1.1218 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 16  1  0  0  0
 11 12  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
 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 26  1  0  0  0
 24 25  2  0  0  0
 24 42  1  0  0  0
 25 43  1  0  0  0
 27 29  1  0  0  0
 27 28  1  0  0  0
 27 44  1  0  0  0
 28 29  1  0  0  0
 28 45  1  0  0  0
 28 46  1  0  0  0
 29 47  1  0  0  0
 29 48  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL3769550

>  <PubChem CID>
89690365

>  <Formula>
C22H19ClN4O2

>  <Molecular Weight>
406.870000

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

>  <XlogP>
4.4

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CC1=C(N=C2N1C=C(C=C2)N3C=CC(=NC3=O)OCC4=CC=C(C=C4)Cl)C5CC5

>  <Isomeric SMILES>
CC1=C(N=C2N1C=C(C=C2)N3C=CC(=NC3=O)OCC4=CC=C(C=C4)Cl)C5CC5

>  <InChI Std. ID>
InChI=1S/C22H19ClN4O2/c1-14-21(16-4-5-16)24-19-9-8-18(12-27(14)19)26-11-10-20(25-22(26)28)29-13-15-2-6-17(23)7-3-15/h2-3,6-12,16H,4-5,13H2,1H3

>  <InChI Key>
AYMBXRGUDOEASY-UHFFFAOYSA-N

