
 GP 1A

 52 56  0  0  0  0  0  0  0  0999 V2000
    0.4885   -1.0325   -0.0109 C   0  0  0  0  0
    1.9566   -0.7207   -0.0628 C   0  0  0  0  0
    2.8876   -1.7275    0.2286 C   0  0  0  0  0
    4.2389   -1.4214    0.1621 C   0  0  0  0  0
    4.6716   -0.1108   -0.1841 C   0  0  0  0  0
    3.7678    0.8705   -0.5282 C   0  0  0  0  0
    2.4033    0.5598   -0.4572 C   0  0  0  0  0
    6.1028   -0.1678   -0.1407 C   0  0  0  0  0
    6.4969   -1.4486    0.1423 C   0  0  0  0  0
    5.3926   -2.4074    0.3990 C   0  0  0  0  0
    7.8896   -1.4556    0.0483 C   0  0  0  0  0
    8.3425   -0.2162   -0.2554 N   0  0  0  0  0
    7.2283    0.5856   -0.3319 N   0  0  0  0  0
    7.3618    1.9963   -0.4428 C   0  0  0  0  0
    8.4152    2.6020   -1.1518 C   0  0  0  0  0
    8.5193    4.0003   -1.1887 C   0  0  0  0  0
    7.5894    4.7930   -0.5226 C   0  0  0  0  0
    6.5509    4.2062    0.1912 C   0  0  0  0  0
    6.4410    2.8138    0.2378 C   0  0  0  0  0
    7.7253    6.5063   -0.5801 Cl  0  0  0  0  0
    9.5755    1.7452   -2.1105 Cl  0  0  0  0  0
    8.7796   -2.6095    0.2254 C   0  0  0  0  0
    8.3502   -3.7247    0.5108 O   0  0  0  0  0
   10.1163   -2.2836    0.0369 N   0  0  0  0  0
   11.1171   -3.2682    0.1075 N   0  0  0  0  0
   11.9776   -3.0648    1.2789 C   0  0  0  0  0
   13.0032   -4.1920    1.4032 C   0  0  0  0  0
   13.8250   -4.3397    0.1266 C   0  0  0  0  0
   12.9107   -4.4692   -1.0875 C   0  0  0  0  0
   11.8886   -3.3334   -1.1390 C   0  0  0  0  0
   -0.1130   -0.1176    0.0011 H   0  0  0  0  0
    0.2497   -1.5924    0.9000 H   0  0  0  0  0
    0.2000   -1.6271   -0.8832 H   0  0  0  0  0
    2.5616   -2.7291    0.4943 H   0  0  0  0  0
    4.0759    1.8529   -0.8637 H   0  0  0  0  0
    1.6768    1.3265   -0.7198 H   0  0  0  0  0
    5.3714   -3.2186   -0.3328 H   0  0  0  0  0
    5.3921   -2.7756    1.4278 H   0  0  0  0  0
    9.3240    4.4725   -1.7493 H   0  0  0  0  0
    5.8337    4.8231    0.7276 H   0  0  0  0  0
    5.6579    2.3884    0.8620 H   0  0  0  0  0
   10.3254   -1.3209   -0.2245 H   0  0  0  0  0
   11.3673   -3.0512    2.1903 H   0  0  0  0  0
   12.4927   -2.0973    1.2189 H   0  0  0  0  0
   13.6691   -3.9957    2.2510 H   0  0  0  0  0
   12.4864   -5.1368    1.6149 H   0  0  0  0  0
   14.4722   -3.4628    0.0050 H   0  0  0  0  0
   14.4784   -5.2158    0.1998 H   0  0  0  0  0
   13.5110   -4.4696   -2.0041 H   0  0  0  0  0
   12.3869   -5.4328   -1.0479 H   0  0  0  0  0
   12.3996   -2.3806   -1.3298 H   0  0  0  0  0
   11.2126   -3.5138   -1.9841 H   0  0  0  0  0
  1  2  1  0  0  0
  1 31  1  0  0  0
  1 32  1  0  0  0
  1 33  1  0  0  0
  2  7  1  0  0  0
  2  3  2  0  0  0
  3  4  1  0  0  0
  3 34  1  0  0  0
  4 10  1  0  0  0
  4  5  2  0  0  0
  5  8  1  0  0  0
  5  6  1  0  0  0
  6  7  2  0  0  0
  6 35  1  0  0  0
  7 36  1  0  0  0
  8  9  2  0  0  0
  8 13  1  0  0  0
  9 10  1  0  0  0
  9 11  1  0  0  0
 10 37  1  0  0  0
 10 38  1  0  0  0
 11 12  2  0  0  0
 11 22  1  0  0  0
 12 13  1  0  0  0
 13 14  1  0  0  0
 14 15  2  0  0  0
 14 19  1  0  0  0
 15 16  1  0  0  0
 15 21  1  0  0  0
 16 17  2  0  0  0
 16 39  1  0  0  0
 17 18  1  0  0  0
 17 20  1  0  0  0
 18 19  2  0  0  0
 18 40  1  0  0  0
 19 41  1  0  0  0
 22 24  1  0  0  0
 22 23  2  0  0  0
 24 25  1  0  0  0
 24 42  1  0  0  0
 25 30  1  0  0  0
 25 26  1  0  0  0
 26 27  1  0  0  0
 26 43  1  0  0  0
 26 44  1  0  0  0
 27 28  1  0  0  0
 27 45  1  0  0  0
 27 46  1  0  0  0
 28 29  1  0  0  0
 28 47  1  0  0  0
 28 48  1  0  0  0
 29 30  1  0  0  0
 29 49  1  0  0  0
 29 50  1  0  0  0
 30 51  1  0  0  0
 30 52  1  0  0  0
M  END

>  <Chemical Name>
GP 1A

>  <PubChem CID>
10252734

>  <Formula>
C23H22Cl2N4O

>  <Molecular Weight>
441.356000

>  <IUPAC Name>
1-(2,4-dichlorophenyl)-6-methyl-N-piperidin-1-yl-4H-indeno[1,2-c]pyrazole-3-carboxamide

>  <XlogP>
5.9

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CC1=CC2=C(C=C1)C3=C(C2)C(=NN3C4=C(C=C(C=C4)Cl)Cl)C(=O)NN5CCCCC5

>  <Isomeric SMILES>
CC1=CC2=C(C=C1)C3=C(C2)C(=NN3C4=C(C=C(C=C4)Cl)Cl)C(=O)NN5CCCCC5

>  <InChI Std. ID>
InChI=1S/C23H22Cl2N4O/c1-14-5-7-17-15(11-14)12-18-21(23(30)27-28-9-3-2-4-10-28)26-29(22(17)18)20-8-6-16(24)13-19(20)25/h5-8,11,13H,2-4,9-10,12H2,1H3,(H,27,30)

>  <InChI Key>
FNOMTMVRTBHRET-UHFFFAOYSA-N

