
 CHEMBL3663573

 60 64  0  0  0  0  0  0  0  0999 V2000
    4.5024   -1.2977    2.1714 C   0  0  0  0  0
    5.4392   -0.1620    2.3721 C   0  0  0  0  0
    5.2974    1.1713    1.9875 C   0  0  0  0  0
    6.4048    1.8088    2.5131 N   0  0  0  0  0
    7.3097    0.9610    3.0446 N   0  0  0  0  0
    6.6938   -0.2188    3.0154 C   0  0  0  0  0
    6.6897    3.2246    2.5951 C   0  0  0  0  0
    4.1786    1.8321    1.2923 C   0  0  0  0  0
    4.3114    2.7161    0.1920 C   0  0  0  0  0
    3.1558    3.3779   -0.2897 C   0  0  0  0  0
    1.8961    3.1259    0.2702 C   0  0  0  0  0
    1.7596    2.2272    1.3119 C   0  0  0  0  0
    2.8910    1.5975    1.8243 C   0  0  0  0  0
    3.1561    4.4118   -1.1906 O   0  0  0  0  0
    3.5621    4.0515   -2.5051 C   0  0  0  0  0
    5.6444    3.1254   -0.3381 C   0  0  0  0  0
    5.9053    4.3234   -0.3878 O   0  0  0  0  0
    6.5892    2.1760   -0.6894 N   0  0  0  0  0
    6.4068    0.8438   -1.2276 C   0  0  0  0  0
    6.4279    1.1347   -2.7425 C   0  0  0  0  0
    7.3891    2.3442   -2.8397 C   0  0  0  0  0
    7.8244    2.5367   -1.3740 C   0  0  0  0  0
    8.7668    1.3584   -0.9920 C   0  0  0  0  0
    7.7525    0.1836   -0.8646 C   0  0  0  0  0
    9.4331    1.5551    0.3007 N   0  0  0  0  0
   10.4626    2.5055    0.3270 C   0  0  0  0  0
   11.0709    2.8894   -0.8149 N   0  0  0  0  0
   12.1175    3.7548   -0.6961 C   0  0  0  0  0
   12.5626    4.2544    0.5204 C   0  0  0  0  0
   11.9652    3.8666    1.6810 N   0  0  0  0  0
   10.9409    2.9807    1.5525 C   0  0  0  0  0
   13.6892    5.2659    0.5397 C   0  0  0  0  0
   13.2556    6.5333    0.7986 F   0  0  0  0  0
   14.6501    5.0008    1.4699 F   0  0  0  0  0
   14.3561    5.3524   -0.6511 F   0  0  0  0  0
    5.0014   -2.2578    2.3379 H   0  0  0  0  0
    4.0978   -1.3017    1.1543 H   0  0  0  0  0
    3.6672   -1.2348    2.8771 H   0  0  0  0  0
    7.1822   -1.0781    3.4593 H   0  0  0  0  0
    7.4187    3.4722    1.8208 H   0  0  0  0  0
    5.7726    3.8021    2.4732 H   0  0  0  0  0
    7.1157    3.4353    3.5793 H   0  0  0  0  0
    1.0260    3.6703   -0.0928 H   0  0  0  0  0
    0.7839    2.0496    1.7614 H   0  0  0  0  0
    2.7639    0.9505    2.6901 H   0  0  0  0  0
    2.6970    4.1486   -3.1695 H   0  0  0  0  0
    3.9499    3.0356   -2.5885 H   0  0  0  0  0
    4.3251    4.7628   -2.8354 H   0  0  0  0  0
    5.5178    0.3097   -0.8916 H   0  0  0  0  0
    6.7741    0.2813   -3.3346 H   0  0  0  0  0
    5.4350    1.4162   -3.1050 H   0  0  0  0  0
    6.8387    3.2208   -3.2010 H   0  0  0  0  0
    8.2287    2.1620   -3.5168 H   0  0  0  0  0
    8.1931    3.5400   -1.1462 H   0  0  0  0  0
    9.5018    1.1374   -1.7758 H   0  0  0  0  0
    7.7281   -0.2160    0.1547 H   0  0  0  0  0
    8.0047   -0.6419   -1.5386 H   0  0  0  0  0
    8.7644    1.6953    1.0580 H   0  0  0  0  0
   12.5905    4.0289   -1.6335 H   0  0  0  0  0
   10.4906    2.6601    2.4861 H   0  0  0  0  0
  1  2  1  0  0  0
  1 36  1  0  0  0
  1 37  1  0  0  0
  1 38  1  0  0  0
  2  6  1  0  0  0
  2  3  2  0  0  0
  3  4  1  0  0  0
  3  8  1  0  0  0
  4  5  1  0  0  0
  4  7  1  0  0  0
  5  6  2  0  0  0
  6 39  1  0  0  0
  7 40  1  0  0  0
  7 41  1  0  0  0
  7 42  1  0  0  0
  8  9  2  0  0  0
  8 13  1  0  0  0
  9 10  1  0  0  0
  9 16  1  0  0  0
 10 11  2  0  0  0
 10 14  1  0  0  0
 11 12  1  0  0  0
 11 43  1  0  0  0
 12 13  2  0  0  0
 12 44  1  0  0  0
 13 45  1  0  0  0
 14 15  1  0  0  0
 15 46  1  0  0  0
 15 47  1  0  0  0
 15 48  1  0  0  0
 16 18  1  0  0  0
 16 17  2  0  0  0
 18 22  1  0  0  0
 18 19  1  0  0  0
 19 20  1  0  0  0
 19 24  1  0  0  0
 19 49  1  0  0  0
 20 21  1  0  0  0
 20 50  1  0  0  0
 20 51  1  0  0  0
 21 22  1  0  0  0
 21 52  1  0  0  0
 21 53  1  0  0  0
 22 23  1  0  0  0
 22 54  1  0  0  0
 23 24  1  0  0  0
 23 25  1  0  0  0
 23 55  1  0  0  0
 24 56  1  0  0  0
 24 57  1  0  0  0
 25 26  1  0  0  0
 25 58  1  0  0  0
 26 27  2  0  0  0
 26 31  1  0  0  0
 27 28  1  0  0  0
 28 29  2  0  0  0
 28 59  1  0  0  0
 29 30  1  0  0  0
 29 32  1  0  0  0
 30 31  2  0  0  0
 31 60  1  0  0  0
 32 35  1  0  0  0
 32 34  1  0  0  0
 32 33  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL3663573

>  <PubChem CID>
90445371

>  <Formula>
C24H25F3N6O2

>  <Molecular Weight>
486.499000

>  <IUPAC Name>
[2-(2,4-dimethylpyrazol-3-yl)-6-methoxyphenyl]-[3-[[5-(trifluoromethyl)pyrazin-2-yl]amino]-7-azabicyclo[2.2.1]heptan-7-yl]methanone

>  <XlogP>
3.3

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
9

>  <Canonical SMILES>
CC1=C(N(N=C1)C)C2=C(C(=CC=C2)OC)C(=O)N3C4CCC3C(C4)NC5=NC=C(N=C5)C(F)(F)F

>  <Isomeric SMILES>
CC1=C(N(N=C1)C)C2=C(C(=CC=C2)OC)C(=O)N3C4CCC3C(C4)NC5=NC=C(N=C5)C(F)(F)F

>  <InChI Std. ID>
InChI=1S/C24H25F3N6O2/c1-13-10-30-32(2)22(13)15-5-4-6-18(35-3)21(15)23(34)33-14-7-8-17(33)16(9-14)31-20-12-28-19(11-29-20)24(25,26)27/h4-6,10-12,14,16-17H,7-9H2,1-3H3,(H,29,31)

>  <InChI Key>
FQGVMFCTXQTZLC-UHFFFAOYSA-N

