
 CHEMBL258070

 57 61  0  0  0  0  0  0  0  0999 V2000
   -1.9337   -6.9066    2.5383 C   0  0  0  0  0
   -1.3908   -6.6613    1.2125 N   0  0  0  0  0
   -2.2556   -6.2624    0.2072 C   0  0  0  0  0
   -1.8493   -6.0571   -1.0616 C   0  0  0  0  0
   -0.4247   -6.2200   -1.3412 C   0  0  0  0  0
    0.4711   -6.5505   -0.3970 C   0  0  0  0  0
   -0.0339   -6.8729    0.9873 C   0  0  0  0  0
    0.7569   -7.2868    1.8358 O   0  0  0  0  0
    1.8440   -6.6231   -0.5634 N   0  0  0  0  0
    2.5863   -6.0326   -1.5540 C   0  0  0  0  0
    2.1132   -5.3030   -2.4245 O   0  0  0  0  0
    3.9572   -6.2762   -1.4882 N   0  0  0  0  0
    4.5673   -7.4592   -0.8812 C   0  0  0  0  0
    5.9261   -7.1833   -0.2214 C   0  0  0  0  0
    6.5556   -5.8389   -0.6288 C   0  0  0  0  0
    6.2722   -5.6071   -2.1172 C   0  0  0  0  0
    4.7821   -5.5009   -2.4020 C   0  0  0  0  0
    6.1876   -4.7044    0.2202 N   0  0  0  0  0
    6.8469   -3.4590    0.2194 C   0  0  0  0  0
    6.2534   -2.6449    1.1788 C   0  0  0  0  0
    5.2354   -3.3638    1.7735 N   0  0  0  0  0
    5.1597   -4.6332    1.1949 C   0  0  0  0  0
    4.3534   -5.4911    1.5193 O   0  0  0  0  0
    6.6030   -1.3896    1.4740 N   0  0  0  0  0
    7.6280   -0.9176    0.7251 C   0  0  0  0  0
    8.2884   -1.6525   -0.2686 C   0  0  0  0  0
    7.8943   -2.9690   -0.5267 C   0  0  0  0  0
   -2.8392   -5.6239   -2.0896 C   0  0  0  0  0
   -2.4714   -4.7101   -3.0915 C   0  0  0  0  0
   -3.3884   -4.2950   -4.0633 C   0  0  0  0  0
   -4.6945   -4.7745   -4.0424 C   0  0  0  0  0
   -5.0813   -5.6790   -3.0582 C   0  0  0  0  0
   -4.1591   -6.1079   -2.0979 C   0  0  0  0  0
   -1.1434   -7.0534    3.2797 H   0  0  0  0  0
   -2.5549   -7.8070    2.5023 H   0  0  0  0  0
   -2.5441   -6.0515    2.8463 H   0  0  0  0  0
   -3.2885   -6.1207    0.5118 H   0  0  0  0  0
   -0.1035   -6.0294   -2.3596 H   0  0  0  0  0
    2.3441   -6.8128    0.3025 H   0  0  0  0  0
    4.7051   -8.1778   -1.7000 H   0  0  0  0  0
    3.9024   -7.9538   -0.1687 H   0  0  0  0  0
    5.8574   -7.2795    0.8677 H   0  0  0  0  0
    6.6032   -7.9937   -0.5254 H   0  0  0  0  0
    7.6409   -5.9491   -0.5001 H   0  0  0  0  0
    6.7794   -4.7192   -2.5065 H   0  0  0  0  0
    6.6799   -6.4560   -2.6829 H   0  0  0  0  0
    4.4708   -4.4509   -2.3337 H   0  0  0  0  0
    4.5717   -5.8322   -3.4261 H   0  0  0  0  0
    4.6405   -3.0216    2.5070 H   0  0  0  0  0
    7.9228    0.1062    0.9434 H   0  0  0  0  0
    9.0975   -1.1966   -0.8310 H   0  0  0  0  0
    8.3944   -3.5554   -1.2861 H   0  0  0  0  0
   -1.4631   -4.3007   -3.1287 H   0  0  0  0  0
   -3.0783   -3.5934   -4.8334 H   0  0  0  0  0
   -5.4082   -4.4460   -4.7933 H   0  0  0  0  0
   -6.1002   -6.0573   -3.0387 H   0  0  0  0  0
   -4.4907   -6.8337   -1.3596 H   0  0  0  0  0
  1  2  1  0  0  0
  1 34  1  0  0  0
  1 35  1  0  0  0
  1 36  1  0  0  0
  2  7  1  0  0  0
  2  3  1  0  0  0
  3  4  2  0  0  0
  3 37  1  0  0  0
  4  5  1  0  0  0
  4 28  1  0  0  0
  5  6  2  0  0  0
  5 38  1  0  0  0
  6  7  1  0  0  0
  6  9  1  0  0  0
  7  8  2  0  0  0
  9 10  1  0  0  0
  9 39  1  0  0  0
 10 12  1  0  0  0
 10 11  2  0  0  0
 12 17  1  0  0  0
 12 13  1  0  0  0
 13 14  1  0  0  0
 13 40  1  0  0  0
 13 41  1  0  0  0
 14 15  1  0  0  0
 14 42  1  0  0  0
 14 43  1  0  0  0
 15 16  1  0  0  0
 15 18  1  0  0  0
 15 44  1  0  0  0
 16 17  1  0  0  0
 16 45  1  0  0  0
 16 46  1  0  0  0
 17 47  1  0  0  0
 17 48  1  0  0  0
 18 19  1  0  0  0
 18 22  1  0  0  0
 19 27  1  0  0  0
 19 20  2  0  0  0
 20 21  1  0  0  0
 20 24  1  0  0  0
 21 22  1  0  0  0
 21 49  1  0  0  0
 22 23  2  0  0  0
 24 25  2  0  0  0
 25 26  1  0  0  0
 25 50  1  0  0  0
 26 27  2  0  0  0
 26 51  1  0  0  0
 27 52  1  0  0  0
 28 29  2  0  0  0
 28 33  1  0  0  0
 29 30  1  0  0  0
 29 53  1  0  0  0
 30 31  2  0  0  0
 30 54  1  0  0  0
 31 32  1  0  0  0
 31 55  1  0  0  0
 32 33  2  0  0  0
 32 56  1  0  0  0
 33 57  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL258070

>  <PubChem CID>
11495985

>  <Formula>
C24H24N6O3

>  <Molecular Weight>
444.495000

>  <IUPAC Name>
N-(1-methyl-2-oxo-5-phenylpyridin-3-yl)-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide

>  <XlogP>
1.3

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CN1C=C(C=C(C1=O)NC(=O)N2CCC(CC2)N3C4=C(NC3=O)N=CC=C4)C5=CC=CC=C5

>  <Isomeric SMILES>
CN1C=C(C=C(C1=O)NC(=O)N2CCC(CC2)N3C4=C(NC3=O)N=CC=C4)C5=CC=CC=C5

>  <InChI Std. ID>
InChI=1S/C24H24N6O3/c1-28-15-17(16-6-3-2-4-7-16)14-19(22(28)31)26-23(32)29-12-9-18(10-13-29)30-20-8-5-11-25-21(20)27-24(30)33/h2-8,11,14-15,18H,9-10,12-13H2,1H3,(H,26,32)(H,25,27,33)

>  <InChI Key>
ANGZYJHVTPDSFK-UHFFFAOYSA-N

