
 CHEMBL433815

 42 45  0  0  0  0  0  0  0  0999 V2000
   -1.5748   -1.5807   -1.5414 C   0  0  0  0  0
   -2.5369   -0.3612   -1.5998 C   0  0  0  0  0
   -1.6953    0.8437   -1.3369 N   0  0  0  0  0
   -0.4019    0.4574   -1.3933 C   0  0  0  0  0
    0.8800    0.9445   -1.4507 C   0  0  0  0  0
    1.6608   -0.2475   -1.5941 C   0  0  0  0  0
    0.9263   -1.3755   -1.6273 N   0  0  0  0  0
   -0.3018   -0.8922   -1.4671 N   0  0  0  0  0
    1.3546    2.3110   -1.4051 C   0  0  0  0  0
    2.5304    2.6053   -1.6002 O   0  0  0  0  0
    0.3859    3.2376   -1.1137 N   0  0  0  0  0
    0.6938    4.6348   -0.9576 C   0  0  0  0  0
   -0.5747    5.4380   -0.8566 C   0  0  0  0  0
   -1.1681    5.6747    0.3915 C   0  0  0  0  0
   -2.3708    6.3769    0.4811 C   0  0  0  0  0
   -2.9952    6.8424   -0.6747 C   0  0  0  0  0
   -2.4196    6.6047   -1.9215 C   0  0  0  0  0
   -1.2172    5.9017   -2.0135 C   0  0  0  0  0
   -3.6772   -0.4193   -0.6100 C   0  0  0  0  0
   -3.4396   -0.4884    0.7729 C   0  0  0  0  0
   -4.5008   -0.5547    1.6770 C   0  0  0  0  0
   -5.8136   -0.5425    1.2126 C   0  0  0  0  0
   -6.0665   -0.4612   -0.1550 C   0  0  0  0  0
   -5.0058   -0.4001   -1.0616 C   0  0  0  0  0
   -1.5999   -2.1754   -2.4586 H   0  0  0  0  0
   -1.6758   -2.2116   -0.6550 H   0  0  0  0  0
   -2.9305   -0.2763   -2.6218 H   0  0  0  0  0
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    2.7387   -0.3186   -1.6851 H   0  0  0  0  0
   -0.5044    2.8937   -0.7723 H   0  0  0  0  0
    1.3024    4.9694   -1.8064 H   0  0  0  0  0
    1.3072    4.7564   -0.0574 H   0  0  0  0  0
   -0.6972    5.3087    1.3015 H   0  0  0  0  0
   -2.8225    6.5578    1.4531 H   0  0  0  0  0
   -3.9323    7.3883   -0.6035 H   0  0  0  0  0
   -2.9091    6.9643   -2.8230 H   0  0  0  0  0
   -0.7834    5.7133   -2.9936 H   0  0  0  0  0
   -2.4202   -0.4805    1.1556 H   0  0  0  0  0
   -4.3016   -0.6097    2.7444 H   0  0  0  0  0
   -6.6399   -0.5898    1.9175 H   0  0  0  0  0
   -7.0919   -0.4425   -0.5156 H   0  0  0  0  0
   -5.2299   -0.3327   -2.1241 H   0  0  0  0  0
  1  2  1  0  0  0
  1  8  1  0  0  0
  1 25  1  0  0  0
  1 26  1  0  0  0
  2  3  1  0  0  0
  2 19  1  0  0  0
  2 27  1  0  0  0
  3  4  1  0  0  0
  3 28  1  0  0  0
  4  8  1  0  0  0
  4  5  2  0  0  0
  5  6  1  0  0  0
  5  9  1  0  0  0
  6  7  2  0  0  0
  6 29  1  0  0  0
  7  8  1  0  0  0
  9 11  1  0  0  0
  9 10  2  0  0  0
 11 12  1  0  0  0
 11 30  1  0  0  0
 12 13  1  0  0  0
 12 31  1  0  0  0
 12 32  1  0  0  0
 13 14  2  0  0  0
 13 18  1  0  0  0
 14 15  1  0  0  0
 14 33  1  0  0  0
 15 16  2  0  0  0
 15 34  1  0  0  0
 16 17  1  0  0  0
 16 35  1  0  0  0
 17 18  2  0  0  0
 17 36  1  0  0  0
 18 37  1  0  0  0
 19 20  2  0  0  0
 19 24  1  0  0  0
 20 21  1  0  0  0
 20 38  1  0  0  0
 21 22  2  0  0  0
 21 39  1  0  0  0
 22 23  1  0  0  0
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 23 24  2  0  0  0
 23 41  1  0  0  0
 24 42  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL433815

>  <PubChem CID>
136118020

>  <Formula>
C19H18N4O

>  <Molecular Weight>
318.380000

>  <IUPAC Name>
N-benzyl-2-phenyl-2,3-dihydro-1H-imidazo[1,2-b]pyrazole-7-carboxamide

>  <XlogP>
2.6

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
C1C(NC2=C(C=NN21)C(=O)NCC3=CC=CC=C3)C4=CC=CC=C4

>  <Isomeric SMILES>
C1C(NC2=C(C=NN21)C(=O)NCC3=CC=CC=C3)C4=CC=CC=C4

>  <InChI Std. ID>
InChI=1S/C19H18N4O/c24-19(20-11-14-7-3-1-4-8-14)16-12-21-23-13-17(22-18(16)23)15-9-5-2-6-10-15/h1-10,12,17,22H,11,13H2,(H,20,24)

>  <InChI Key>
BRFVWGURYXMMJB-UHFFFAOYSA-N

