
 CHEMBL3957865

 49 52  0  0  0  0  0  0  0  0999 V2000
    0.8959    1.3394   -0.1510 C   0  0  0  0  0
   -0.5326    1.3879    0.3703 C   0  0  0  0  0
   -1.2914    0.2057   -0.0786 N   0  0  0  0  0
   -0.6664   -1.0333    0.4149 C   0  0  0  0  0
    0.7686   -1.1852   -0.1055 C   0  0  0  0  0
    1.5643    0.0557    0.2831 C   0  0  0  0  0
    2.8067   -0.0034   -0.2633 F   0  0  0  0  0
    1.7428    0.0846    1.6314 F   0  0  0  0  0
    1.4559   -2.4536    0.4412 C   0  0  0  0  0
    0.8277   -3.7531   -0.0724 C   0  0  0  0  0
    1.5375   -4.9672    0.4740 C   0  0  0  0  0
    1.1422   -5.5282    1.6960 C   0  0  0  0  0
    1.8056   -6.6435    2.2103 C   0  0  0  0  0
    2.8726   -7.2037    1.5114 C   0  0  0  0  0
    3.2793   -6.6483    0.2995 C   0  0  0  0  0
    2.6169   -5.5329   -0.2168 C   0  0  0  0  0
   -2.6922    0.2730    0.4027 C   0  0  0  0  0
   -3.4555    1.3538   -0.2971 C   0  0  0  0  0
   -4.0459    1.3424   -1.5473 C   0  0  0  0  0
   -4.1786    0.4194   -2.6219 C   0  0  0  0  0
   -4.8654    0.7838   -3.7235 C   0  0  0  0  0
   -5.4720    2.1026   -3.8441 C   0  0  0  0  0
   -5.3387    2.9755   -2.8307 C   0  0  0  0  0
   -4.6303    2.5906   -1.6947 N   0  0  0  0  0
   -4.3666    3.2856   -0.5425 C   0  0  0  0  0
   -3.6738    2.5743    0.3204 N   0  0  0  0  0
    0.9095    1.4193   -1.2449 H   0  0  0  0  0
    1.4565    2.1977    0.2363 H   0  0  0  0  0
   -0.9849    2.3093   -0.0127 H   0  0  0  0  0
   -0.5292    1.4579    1.4661 H   0  0  0  0  0
   -0.6796   -1.0658    1.5130 H   0  0  0  0  0
   -1.2604   -1.8826    0.0588 H   0  0  0  0  0
    0.7522   -1.2548   -1.2019 H   0  0  0  0  0
    1.4360   -2.4407    1.5391 H   0  0  0  0  0
    2.5157   -2.4374    0.1545 H   0  0  0  0  0
    0.8534   -3.7764   -1.1690 H   0  0  0  0  0
   -0.2299   -3.8160    0.2072 H   0  0  0  0  0
    0.3145   -5.0991    2.2560 H   0  0  0  0  0
    1.4912   -7.0727    3.1575 H   0  0  0  0  0
    3.3899   -8.0710    1.9126 H   0  0  0  0  0
    4.1151   -7.0820   -0.2435 H   0  0  0  0  0
    2.9499   -5.1071   -1.1604 H   0  0  0  0  0
   -2.7321    0.4234    1.4893 H   0  0  0  0  0
   -3.2028   -0.6761    0.1949 H   0  0  0  0  0
   -3.7228   -0.5627   -2.5455 H   0  0  0  0  0
   -4.9797    0.0971   -4.5566 H   0  0  0  0  0
   -6.0140    2.3505   -4.7501 H   0  0  0  0  0
   -5.7589    3.9722   -2.8469 H   0  0  0  0  0
   -4.7081    4.3000   -0.3906 H   0  0  0  0  0
  1  6  1  0  0  0
  1  2  1  0  0  0
  1 27  1  0  0  0
  1 28  1  0  0  0
  2  3  1  0  0  0
  2 29  1  0  0  0
  2 30  1  0  0  0
  3  4  1  0  0  0
  3 17  1  0  0  0
  4  5  1  0  0  0
  4 31  1  0  0  0
  4 32  1  0  0  0
  5  6  1  0  0  0
  5  9  1  0  0  0
  5 33  1  0  0  0
  6  8  1  0  0  0
  6  7  1  0  0  0
  9 10  1  0  0  0
  9 34  1  0  0  0
  9 35  1  0  0  0
 10 11  1  0  0  0
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 10 37  1  0  0  0
 11 12  2  0  0  0
 11 16  1  0  0  0
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 12 38  1  0  0  0
 13 14  2  0  0  0
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 14 15  1  0  0  0
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 15 16  2  0  0  0
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 19 20  1  0  0  0
 19 24  1  0  0  0
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 25 49  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL3957865

>  <PubChem CID>
134154730

>  <Formula>
C21H23F2N3

>  <Molecular Weight>
355.433000

>  <IUPAC Name>
1-[[4,4-difluoro-3-(2-phenylethyl)piperidin-1-yl]methyl]imidazo[1,5-a]pyridine

>  <XlogP>
5.1

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
C1CN(CC(C1(F)F)CCC2=CC=CC=C2)CC3=C4C=CC=CN4C=N3

>  <Isomeric SMILES>
C1CN(CC(C1(F)F)CCC2=CC=CC=C2)CC3=C4C=CC=CN4C=N3

>  <InChI Std. ID>
InChI=1S/C21H23F2N3/c22-21(23)11-13-25(14-18(21)10-9-17-6-2-1-3-7-17)15-19-20-8-4-5-12-26(20)16-24-19/h1-8,12,16,18H,9-11,13-15H2

>  <InChI Key>
CHAVLJINZHBAED-UHFFFAOYSA-N

