
 CHEMBL3659238

 52 56  0  0  0  0  0  0  0  0999 V2000
    7.5505   -2.0069    2.6872 C   0  0  0  0  0
    6.7345   -1.3113    1.6406 C   0  0  0  0  0
    5.6939   -1.9909    1.1112 N   0  0  0  0  0
    4.9288   -1.3851    0.1491 C   0  0  0  0  0
    5.1751   -0.0850   -0.2933 C   0  0  0  0  0
    6.2780    0.5860    0.2652 C   0  0  0  0  0
    7.0578   -0.0252    1.2423 C   0  0  0  0  0
    4.3865    0.6238   -1.2400 N   0  0  0  0  0
    3.0630    0.4602   -1.5952 C   0  0  0  0  0
    2.7793    1.3880   -2.5697 C   0  0  0  0  0
    3.9562    2.1328   -2.6965 C   0  0  0  0  0
    4.9066    1.7279   -1.8554 N   0  0  0  0  0
    3.9586   -2.3213   -0.5092 C   0  0  0  0  0
    3.8000   -2.2657   -1.7290 O   0  0  0  0  0
    3.2871   -3.2467    0.2539 N   0  0  0  0  0
    3.1814   -3.4774    1.6798 C   0  0  0  0  0
    1.7120   -3.0912    1.9119 C   0  0  0  0  0
    1.0379   -3.5261    0.5886 C   0  0  0  0  0
    2.2189   -4.0955   -0.2249 C   0  0  0  0  0
    2.6251   -5.4512    0.3909 C   0  0  0  0  0
    3.2957   -5.0146    1.7251 C   0  0  0  0  0
    3.5972   -6.2232   -0.5081 C   0  0  0  0  0
    2.9084   -6.5990   -1.7056 O   0  0  0  0  0
    3.7019   -7.3087   -2.5860 C   0  0  0  0  0
    4.9301   -7.7264   -2.2035 N   0  0  0  0  0
    5.6338   -8.4395   -3.1151 C   0  0  0  0  0
    5.1579   -8.7568   -4.3754 C   0  0  0  0  0
    3.8940   -8.3229   -4.7438 C   0  0  0  0  0
    3.1470   -7.5819   -3.8303 C   0  0  0  0  0
    5.9013   -9.4750   -5.2258 F   0  0  0  0  0
    7.2153   -3.0409    2.8175 H   0  0  0  0  0
    7.4526   -1.4902    3.6467 H   0  0  0  0  0
    8.6048   -2.0269    2.3941 H   0  0  0  0  0
    6.5286    1.6020   -0.0380 H   0  0  0  0  0
    7.8999    0.5028    1.6784 H   0  0  0  0  0
    2.4345   -0.2954   -1.1501 H   0  0  0  0  0
    1.8469    1.5142   -3.1007 H   0  0  0  0  0
    4.1593    2.9699   -3.3525 H   0  0  0  0  0
    3.8778   -2.9508    2.3294 H   0  0  0  0  0
    1.2746   -3.5795    2.7880 H   0  0  0  0  0
    1.6131   -2.0063    2.0355 H   0  0  0  0  0
    0.6102   -2.6474    0.0923 H   0  0  0  0  0
    0.2370   -4.2543    0.7494 H   0  0  0  0  0
    2.0597   -4.0859   -1.3052 H   0  0  0  0  0
    1.7400   -6.0737    0.5708 H   0  0  0  0  0
    4.3477   -5.3210    1.7557 H   0  0  0  0  0
    2.7900   -5.4453    2.5956 H   0  0  0  0  0
    3.9267   -7.1224    0.0282 H   0  0  0  0  0
    4.4696   -5.6037   -0.7534 H   0  0  0  0  0
    6.6197   -8.7639   -2.7997 H   0  0  0  0  0
    3.5012   -8.5608   -5.7261 H   0  0  0  0  0
    2.1550   -7.2231   -4.0803 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
  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 34  1  0  0  0
  7 35  1  0  0  0
  8  9  1  0  0  0
  8 12  1  0  0  0
  9 10  2  0  0  0
  9 36  1  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>
CHEMBL3659238

>  <PubChem CID>
90411122

>  <Formula>
C22H22FN5O2

>  <Molecular Weight>
407.449000

>  <IUPAC Name>
[3-[(5-fluoropyridin-2-yl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-(6-methyl-3-pyrazol-1-ylpyridin-2-yl)methanone

>  <XlogP>
3.1

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CC1=NC(=C(C=C1)N2C=CC=N2)C(=O)N3C4CCC3C(C4)COC5=NC=C(C=C5)F

>  <Isomeric SMILES>
CC1=NC(=C(C=C1)N2C=CC=N2)C(=O)N3C4CCC3C(C4)COC5=NC=C(C=C5)F

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

>  <InChI Key>
FVRBZEZQMMWCNM-UHFFFAOYSA-N

