-ISIS-  08251614582D

 18 19  0  0  0  0  0  0  0  0999 V2000
   -0.9750   -0.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9750   -1.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8375    0.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0208   -1.5625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5667   -0.7542    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
   -0.0208    0.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8375   -1.7542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7042   -1.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7042   -0.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8375    1.2458    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -3.5708   -1.7542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7125    1.7333    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9792    1.7583    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.5667   -0.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2750    1.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0667    0.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0667    0.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5667   -0.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  2  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  7  2  1  0  0  0  0
  8  9  1  0  0  0  0
  9  3  2  0  0  0  0
 10  3  1  0  0  0  0
 11  8  2  0  0  0  0
 12 10  1  0  0  0  0
 13 10  1  0  0  0  0
 14  5  1  0  0  0  0
 15  6  1  0  0  0  0
 16 14  1  0  0  0  0
 17 16  1  0  0  0  0
 18 17  1  0  0  0  0
  5  4  1  0  0  0  0
  7  8  1  0  0  0  0
M  END
>  <ID> (STK352699)
STK352699

>  <Rotatable_Bonds> (STK352699)
4

>  <logP> (STK352699)
2.359

>  <PSA> (STK352699)
46.92

>  <H_Donors> (STK352699)
1

>  <H_Acceptors> (STK352699)
1

>  <Number_of_rings> (STK352699)
2

>  <NAME> (STK352699)
2-butyl-4-(difluoromethyl)-3-methyl-2,7-dihydro-6H-pyrazolo[3,4-b]pyridin-6-one

>  <Mol_Weight> (STK352699)
255.27

>  <Mol_Formula> (STK352699)
C12H15F2N3O

>  <Smiles> (STK352699)
CCCCn1nc2c(c1C)c(cc(=O)[nH]2)C(F)F

$$$$