
 CHEMBL3741776

 56 58  0  0  0  0  0  0  0  0999 V2000
    0.1449    5.2712   -3.4106 C   0  0  0  0  0
    1.0884    4.1084   -3.7110 C   0  0  0  0  0
    1.9833    4.4312   -4.9074 C   0  0  0  0  0
    1.9069    3.7490   -2.4980 C   0  0  0  0  0
    3.0748    4.2775   -2.1541 N   0  0  0  0  0
    3.5051    3.5639   -1.0425 C   0  0  0  0  0
    2.5516    2.6279   -0.6888 C   0  0  0  0  0
    1.5128    2.7710   -1.5944 N   0  0  0  0  0
    0.3396    2.0132   -1.5151 C   0  0  0  0  0
    0.2029    1.0963   -0.5414 C   0  0  0  0  0
    1.2891    0.9119    0.4053 C   0  0  0  0  0
    2.4147    1.6454    0.3346 C   0  0  0  0  0
    4.7760    3.7744   -0.3466 C   0  0  0  0  0
    5.2074    2.9762    0.4838 O   0  0  0  0  0
    5.4482    4.9434   -0.6661 N   0  0  0  0  0
    6.7057    5.2584    0.0064 C   0  0  0  0  0
    7.9006    4.5731   -0.6632 C   0  0  0  0  0
    8.5906    5.4365   -1.7128 C   0  0  0  0  0
    8.9507    6.7344   -1.1235 N   0  0  0  0  0
    7.7108    7.4715   -0.8343 C   0  0  0  0  0
    6.9075    6.7570    0.2484 C   0  0  0  0  0
    9.8337    7.5266   -1.9982 C   0  0  0  0  0
   11.2562    6.9499   -2.0714 C   0  0  0  0  0
   12.1789    7.8055   -2.9391 C   0  0  0  0  0
   11.6398    8.0758   -4.2325 O   0  0  0  0  0
   11.5977    6.9359   -5.0807 C   0  0  0  0  0
   -0.5284    5.0296   -2.5809 H   0  0  0  0  0
   -0.4750    5.5020   -4.2844 H   0  0  0  0  0
    0.6972    6.1774   -3.1386 H   0  0  0  0  0
    0.4799    3.2451   -4.0063 H   0  0  0  0  0
    2.5923    5.3240   -4.7291 H   0  0  0  0  0
    1.3787    4.6083   -5.8042 H   0  0  0  0  0
    2.6626    3.5985   -5.1227 H   0  0  0  0  0
   -0.4386    2.1949   -2.2451 H   0  0  0  0  0
   -0.6911    0.4916   -0.4377 H   0  0  0  0  0
    1.1696    0.1592    1.1789 H   0  0  0  0  0
    3.2200    1.4967    1.0491 H   0  0  0  0  0
    5.0744    5.5007   -1.4275 H   0  0  0  0  0
    6.6140    4.8120    1.0057 H   0  0  0  0  0
    7.6063    3.6178   -1.1154 H   0  0  0  0  0
    8.6380    4.3304    0.1141 H   0  0  0  0  0
    9.4776    4.8876   -2.0425 H   0  0  0  0  0
    7.9495    5.5629   -2.5950 H   0  0  0  0  0
    7.9488    8.4751   -0.4596 H   0  0  0  0  0
    7.1037    7.6019   -1.7391 H   0  0  0  0  0
    7.4577    6.8703    1.1932 H   0  0  0  0  0
    5.9452    7.2627    0.3926 H   0  0  0  0  0
    9.9248    8.5412   -1.5875 H   0  0  0  0  0
    9.3945    7.6244   -2.9979 H   0  0  0  0  0
   11.2403    5.9354   -2.4802 H   0  0  0  0  0
   11.6848    6.8760   -1.0640 H   0  0  0  0  0
   13.1636    7.3332   -3.0384 H   0  0  0  0  0
   12.3384    8.7736   -2.4519 H   0  0  0  0  0
   11.2615    7.2604   -6.0690 H   0  0  0  0  0
   10.8822    6.1978   -4.7076 H   0  0  0  0  0
   12.5902    6.4865   -5.1783 H   0  0  0  0  0
  1  2  1  0  0  0
  1 27  1  0  0  0
  1 28  1  0  0  0
  1 29  1  0  0  0
  2  4  1  0  0  0
  2  3  1  0  0  0
  2 30  1  0  0  0
  3 31  1  0  0  0
  3 32  1  0  0  0
  3 33  1  0  0  0
  4  5  2  0  0  0
  4  8  1  0  0  0
  5  6  1  0  0  0
  6  7  2  0  0  0
  6 13  1  0  0  0
  7 12  1  0  0  0
  7  8  1  0  0  0
  8  9  1  0  0  0
  9 10  2  0  0  0
  9 34  1  0  0  0
 10 11  1  0  0  0
 10 35  1  0  0  0
 11 12  2  0  0  0
 11 36  1  0  0  0
 12 37  1  0  0  0
 13 15  1  0  0  0
 13 14  2  0  0  0
 15 16  1  0  0  0
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 16 21  1  0  0  0
 16 17  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
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 19 20  1  0  0  0
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 24 25  1  0  0  0
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 26 56  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL3741776

>  <PubChem CID>
127042084

>  <Formula>
C20H30N4O2

>  <Molecular Weight>
358.486000

>  <IUPAC Name>
N-[1-(3-methoxypropyl)piperidin-4-yl]-3-propan-2-ylimidazo[1,5-a]pyridine-1-carboxamide

>  <XlogP>
3.4

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CC(C)C1=NC(=C2N1C=CC=C2)C(=O)NC3CCN(CC3)CCCOC

>  <Isomeric SMILES>
CC(C)C1=NC(=C2N1C=CC=C2)C(=O)NC3CCN(CC3)CCCOC

>  <InChI Std. ID>
InChI=1S/C20H30N4O2/c1-15(2)19-22-18(17-7-4-5-11-24(17)19)20(25)21-16-8-12-23(13-9-16)10-6-14-26-3/h4-5,7,11,15-16H,6,8-10,12-14H2,1-3H3,(H,21,25)

>  <InChI Key>
AHVSSULYWCJAOD-UHFFFAOYSA-N

