
 CHEMBL3092413

 42 45  0  0  0  0  0  0  0  0999 V2000
    0.7151    1.1133    0.1378 C   0  0  0  0  0
   -0.7135    1.2856   -0.4443 C   0  0  0  0  0
   -0.9730    0.3496   -1.5577 N   0  0  0  0  0
   -0.6201   -1.0495   -1.2187 C   0  0  0  0  0
    0.8166   -1.1498   -0.6519 C   0  0  0  0  0
    1.0885   -0.2707    0.5201 N   0  0  0  0  0
    0.3518   -0.6930    1.7285 C   0  0  0  0  0
    0.7772   -2.0614    2.1638 C   0  0  0  0  0
    1.8841   -2.4384    2.8989 C   0  0  0  0  0
    1.8477   -3.8074    2.9508 N   0  0  0  0  0
    2.7405   -4.6955    3.5418 C   0  0  0  0  0
    2.5046   -6.0137    3.4392 C   0  0  0  0  0
    1.3289   -6.4751    2.7151 C   0  0  0  0  0
    0.4664   -5.6048    2.1536 C   0  0  0  0  0
    0.7073   -4.2061    2.2610 C   0  0  0  0  0
    0.0382   -3.1720    1.8009 N   0  0  0  0  0
    3.5616   -7.1740    4.1361 Cl  0  0  0  0  0
   -0.5573    0.7671   -2.8280 C   0  0  0  0  0
    0.2033   -0.0534   -3.5875 N   0  0  0  0  0
    0.5636    0.3454   -4.8317 C   0  0  0  0  0
    0.1915    1.5527   -5.3907 C   0  0  0  0  0
   -0.6016    2.3965   -4.6241 C   0  0  0  0  0
   -0.9821    1.9956   -3.3404 C   0  0  0  0  0
    0.6026    1.9027   -6.7107 C   0  0  0  0  0
    0.9376    2.1889   -7.7860 N   0  0  0  0  0
    1.4411    1.4609   -0.6092 H   0  0  0  0  0
    0.8389    1.7823    0.9984 H   0  0  0  0  0
   -0.8616    2.3333   -0.7273 H   0  0  0  0  0
   -1.4535    1.0893    0.3410 H   0  0  0  0  0
   -1.3375   -1.4073   -0.4703 H   0  0  0  0  0
   -0.7446   -1.7244   -2.0749 H   0  0  0  0  0
    1.0500   -2.1953   -0.4259 H   0  0  0  0  0
    1.5359   -0.8752   -1.4341 H   0  0  0  0  0
   -0.7347   -0.6801    1.5908 H   0  0  0  0  0
    0.5741    0.0031    2.5476 H   0  0  0  0  0
    2.6848   -1.8631    3.3400 H   0  0  0  0  0
    3.5938   -4.2757    4.0578 H   0  0  0  0  0
    1.1603   -7.5444    2.6311 H   0  0  0  0  0
   -0.4089   -5.9391    1.6083 H   0  0  0  0  0
    1.1742   -0.3716   -5.3751 H   0  0  0  0  0
   -0.9416    3.3528   -5.0138 H   0  0  0  0  0
   -1.6425    2.6349   -2.7639 H   0  0  0  0  0
  1  6  1  0  0  0
  1  2  1  0  0  0
  1 26  1  0  0  0
  1 27  1  0  0  0
  2  3  1  0  0  0
  2 28  1  0  0  0
  2 29  1  0  0  0
  3  4  1  0  0  0
  3 18  1  0  0  0
  4  5  1  0  0  0
  4 30  1  0  0  0
  4 31  1  0  0  0
  5  6  1  0  0  0
  5 32  1  0  0  0
  5 33  1  0  0  0
  6  7  1  0  0  0
  7  8  1  0  0  0
  7 34  1  0  0  0
  7 35  1  0  0  0
  8 16  1  0  0  0
  8  9  2  0  0  0
  9 10  1  0  0  0
  9 36  1  0  0  0
 10 15  1  0  0  0
 10 11  1  0  0  0
 11 12  2  0  0  0
 11 37  1  0  0  0
 12 13  1  0  0  0
 12 17  1  0  0  0
 13 14  2  0  0  0
 13 38  1  0  0  0
 14 15  1  0  0  0
 14 39  1  0  0  0
 15 16  2  0  0  0
 18 19  2  0  0  0
 18 23  1  0  0  0
 19 20  1  0  0  0
 20 21  2  0  0  0
 20 40  1  0  0  0
 21 22  1  0  0  0
 21 24  1  0  0  0
 22 23  2  0  0  0
 22 41  1  0  0  0
 23 42  1  0  0  0
 24 25  3  0  0  0
M  END

>  <Chemical Name>
CHEMBL3092413

>  <PubChem CID>
73211886

>  <Formula>
C18H17ClN6

>  <Molecular Weight>
352.826000

>  <IUPAC Name>
6-[4-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]piperazin-1-yl]pyridine-3-carbonitrile

>  <XlogP>
2.8

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
C1CN(CCN1CC2=CN3C=C(C=CC3=N2)Cl)C4=NC=C(C=C4)C#N

>  <Isomeric SMILES>
C1CN(CCN1CC2=CN3C=C(C=CC3=N2)Cl)C4=NC=C(C=C4)C#N

>  <InChI Std. ID>
InChI=1S/C18H17ClN6/c19-15-2-4-18-22-16(13-25(18)11-15)12-23-5-7-24(8-6-23)17-3-1-14(9-20)10-21-17/h1-4,10-11,13H,5-8,12H2

>  <InChI Key>
UGDJVSURAKMIPU-UHFFFAOYSA-N

