
 US9475819, 10A

 52 56  0  0  0  0  0  0  0  0999 V2000
    3.0603    1.2007    5.1321 C   0  0  0  0  0
    3.2835    2.6432    4.7890 C   0  0  0  0  0
    2.9194    3.1285    3.5296 C   0  0  0  0  0
    3.1084    4.4815    3.1824 C   0  0  0  0  0
    3.7183    5.3496    4.0983 C   0  0  0  0  0
    4.1456    4.8410    5.3404 C   0  0  0  0  0
    3.9213    3.5042    5.6840 C   0  0  0  0  0
    3.8972    6.7344    3.8415 N   0  0  0  0  0
    3.1714    7.4263    2.9223 N   0  0  0  0  0
    3.6425    8.6655    3.0553 C   0  0  0  0  0
    4.5729    8.7139    4.0931 C   0  0  0  0  0
    4.7059    7.5031    4.6367 N   0  0  0  0  0
    2.8428    4.8339    1.7687 C   0  0  0  0  0
    3.7839    5.2055    1.0731 O   0  0  0  0  0
    1.5868    4.6035    1.2768 N   0  0  0  0  0
    0.3298    4.2274    1.8879 C   0  0  0  0  0
   -0.5554    5.4137    1.4727 C   0  0  0  0  0
    0.0381    5.8159    0.1017 C   0  0  0  0  0
    1.1696    4.7896   -0.0926 C   0  0  0  0  0
    0.5269    3.4164   -0.3830 C   0  0  0  0  0
   -0.0444    3.0149    1.0142 C   0  0  0  0  0
    1.5511    2.3957   -0.8940 C   0  0  0  0  0
    0.9063    1.1382   -1.1371 O   0  0  0  0  0
    0.2936    1.0395   -2.3690 C   0  0  0  0  0
    0.6931    1.8325   -3.3869 N   0  0  0  0  0
    0.0655    1.6520   -4.5736 C   0  0  0  0  0
   -0.9465    0.7299   -4.7726 C   0  0  0  0  0
   -1.3437   -0.0702   -3.7120 C   0  0  0  0  0
   -0.7024    0.0783   -2.4845 C   0  0  0  0  0
   -1.5355    0.6080   -5.9684 F   0  0  0  0  0
    2.0878    0.8649    4.7561 H   0  0  0  0  0
    3.0591    1.0479    6.2163 H   0  0  0  0  0
    3.8472    0.5823    4.6900 H   0  0  0  0  0
    2.5094    2.4392    2.7934 H   0  0  0  0  0
    4.6377    5.4850    6.0688 H   0  0  0  0  0
    4.2516    3.1446    6.6567 H   0  0  0  0  0
    3.2818    9.4571    2.4130 H   0  0  0  0  0
    5.1394    9.5483    4.4824 H   0  0  0  0  0
    0.3497    4.0367    2.9614 H   0  0  0  0  0
   -1.6164    5.1513    1.4092 H   0  0  0  0  0
   -0.4477    6.2455    2.1779 H   0  0  0  0  0
    0.4418    6.8329    0.1631 H   0  0  0  0  0
   -0.7073    5.7896   -0.6997 H   0  0  0  0  0
    1.9540    5.1031   -0.7851 H   0  0  0  0  0
   -0.2914    3.5033   -1.1076 H   0  0  0  0  0
    0.4390    2.1071    1.3944 H   0  0  0  0  0
   -1.1233    2.8352    0.9815 H   0  0  0  0  0
    2.3129    2.2081   -0.1276 H   0  0  0  0  0
    2.1006    2.7664   -1.7676 H   0  0  0  0  0
    0.4055    2.2837   -5.3874 H   0  0  0  0  0
   -2.1370   -0.7973   -3.8453 H   0  0  0  0  0
   -0.9778   -0.5325   -1.6322 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  3  2  0  0  0
  2  7  1  0  0  0
  3  4  1  0  0  0
  3 34  1  0  0  0
  4  5  2  0  0  0
  4 13  1  0  0  0
  5  6  1  0  0  0
  5  8  1  0  0  0
  6  7  2  0  0  0
  6 35  1  0  0  0
  7 36  1  0  0  0
  8  9  1  0  0  0
  8 12  1  0  0  0
  9 10  2  0  0  0
 10 11  1  0  0  0
 10 37  1  0  0  0
 11 12  2  0  0  0
 11 38  1  0  0  0
 13 15  1  0  0  0
 13 14  2  0  0  0
 15 19  1  0  0  0
 15 16  1  0  0  0
 16 17  1  0  0  0
 16 21  1  0  0  0
 16 39  1  0  0  0
 17 18  1  0  0  0
 17 40  1  0  0  0
 17 41  1  0  0  0
 18 19  1  0  0  0
 18 42  1  0  0  0
 18 43  1  0  0  0
 19 20  1  0  0  0
 19 44  1  0  0  0
 20 21  1  0  0  0
 20 22  1  0  0  0
 20 45  1  0  0  0
 21 46  1  0  0  0
 21 47  1  0  0  0
 22 23  1  0  0  0
 22 48  1  0  0  0
 22 49  1  0  0  0
 23 24  1  0  0  0
 24 25  2  0  0  0
 24 29  1  0  0  0
 25 26  1  0  0  0
 26 27  2  0  0  0
 26 50  1  0  0  0
 27 28  1  0  0  0
 27 30  1  0  0  0
 28 29  2  0  0  0
 28 51  1  0  0  0
 29 52  1  0  0  0
M  END

>  <Chemical Name>
US9475819, 10A

>  <PubChem CID>
90412029

>  <Formula>
C22H22FN5O2

>  <Molecular Weight>
407.449000

>  <IUPAC Name>
[(1R,2S,4S)-2-[(5-fluoropyridin-2-yl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone

>  <XlogP>
3.8

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CC1=CC(=C(C=C1)N2N=CC=N2)C(=O)N3C4CCC3C(C4)COC5=NC=C(C=C5)F

>  <Isomeric SMILES>
CC1=CC(=C(C=C1)N2N=CC=N2)C(=O)N3[C@H]4CC[C@@H]3[C@H](C4)COC5=NC=C(C=C5)F

>  <InChI Std. ID>
InChI=1S/C22H22FN5O2/c1-14-2-5-20(28-25-8-9-26-28)18(10-14)22(29)27-17-4-6-19(27)15(11-17)13-30-21-7-3-16(23)12-24-21/h2-3,5,7-10,12,15,17,19H,4,6,11,13H2,1H3/t15-,17+,19-/m1/s1

>  <InChI Key>
FNSBFXNNFNCHOW-HHXXYDBFSA-N

