
 CHEMBL212160

 53 57  0  0  0  0  0  0  0  0999 V2000
    0.9961    1.5050    0.8519 C   0  0  0  0  0
    1.8680    1.0922   -0.1908 O   0  0  0  0  0
    2.8299    1.9967   -0.5820 C   0  0  0  0  0
    2.6851    3.3819   -0.4187 C   0  0  0  0  0
    3.6768    4.2542   -0.8652 C   0  0  0  0  0
    4.8125    3.7504   -1.4864 C   0  0  0  0  0
    4.9562    2.3729   -1.6700 C   0  0  0  0  0
    3.9765    1.4655   -1.2294 C   0  0  0  0  0
    4.1301    0.0690   -1.3806 N   0  0  0  0  0
    4.5021   -0.5831   -0.1039 C   0  0  0  0  0
    4.4914   -2.1215   -0.2555 C   0  0  0  0  0
    5.3079   -2.6580   -1.3742 N   0  0  0  0  0
    4.8630   -1.9689   -2.6125 C   0  0  0  0  0
    4.8845   -0.4192   -2.5479 C   0  0  0  0  0
    6.7557   -2.4536   -1.1701 C   0  0  0  0  0
    7.2544   -3.1600    0.0522 C   0  0  0  0  0
    7.2762   -4.5085    0.3358 C   0  0  0  0  0
    7.8272   -4.6521    1.5917 N   0  0  0  0  0
    8.1249   -3.3431    1.9986 C   0  0  0  0  0
    7.7861   -2.4468    1.0981 N   0  0  0  0  0
    8.7252   -3.1548    3.2692 C   0  0  0  0  0
    8.9839   -4.2186    4.0435 C   0  0  0  0  0
    8.6595   -5.5638    3.6063 C   0  0  0  0  0
    8.0875   -5.7994    2.3954 C   0  0  0  0  0
    7.7651   -7.1144    1.9549 N   0  0  0  0  0
    7.9729   -8.2965    2.6789 C   0  0  0  0  0
    7.5296   -9.3587    1.9326 C   0  0  0  0  0
    7.0632   -8.7753    0.7579 C   0  0  0  0  0
    7.2011   -7.4537    0.7555 N   0  0  0  0  0
    0.4500    0.6226    1.1994 H   0  0  0  0  0
    0.2592    2.2258    0.4843 H   0  0  0  0  0
    1.5523    1.9085    1.7051 H   0  0  0  0  0
    1.7993    3.8095    0.0380 H   0  0  0  0  0
    3.5589    5.3265   -0.7321 H   0  0  0  0  0
    5.5917    4.4258   -1.8291 H   0  0  0  0  0
    5.8689    2.0237   -2.1406 H   0  0  0  0  0
    3.7967   -0.3252    0.6946 H   0  0  0  0  0
    5.4943   -0.2428    0.2180 H   0  0  0  0  0
    4.7759   -2.5853    0.6958 H   0  0  0  0  0
    3.4542   -2.4433   -0.4242 H   0  0  0  0  0
    5.4675   -2.3065   -3.4636 H   0  0  0  0  0
    3.8378   -2.2962   -2.8311 H   0  0  0  0  0
    5.9269   -0.0842   -2.5173 H   0  0  0  0  0
    4.4341   -0.0279   -3.4683 H   0  0  0  0  0
    7.0246   -1.3940   -1.0992 H   0  0  0  0  0
    7.3015   -2.8605   -2.0312 H   0  0  0  0  0
    6.9296   -5.3429   -0.2546 H   0  0  0  0  0
    8.9633   -2.1454    3.5848 H   0  0  0  0  0
    9.4450   -4.0919    5.0187 H   0  0  0  0  0
    8.9103   -6.3453    4.3145 H   0  0  0  0  0
    8.4132   -8.2822    3.6631 H   0  0  0  0  0
    7.5443  -10.4039    2.2057 H   0  0  0  0  0
    6.6247   -9.2556   -0.1077 H   0  0  0  0  0
  1  2  1  0  0  0
  1 30  1  0  0  0
  1 31  1  0  0  0
  1 32  1  0  0  0
  2  3  1  0  0  0
  3  4  2  0  0  0
  3  8  1  0  0  0
  4  5  1  0  0  0
  4 33  1  0  0  0
  5  6  2  0  0  0
  5 34  1  0  0  0
  6  7  1  0  0  0
  6 35  1  0  0  0
  7  8  2  0  0  0
  7 36  1  0  0  0
  8  9  1  0  0  0
  9 14  1  0  0  0
  9 10  1  0  0  0
 10 11  1  0  0  0
 10 37  1  0  0  0
 10 38  1  0  0  0
 11 12  1  0  0  0
 11 39  1  0  0  0
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 12 15  1  0  0  0
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 14 44  1  0  0  0
 15 16  1  0  0  0
 15 45  1  0  0  0
 15 46  1  0  0  0
 16 20  1  0  0  0
 16 17  2  0  0  0
 17 18  1  0  0  0
 17 47  1  0  0  0
 18 19  1  0  0  0
 18 24  1  0  0  0
 19 21  1  0  0  0
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 21 22  2  0  0  0
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 22 23  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL212160

>  <PubChem CID>
11689612

>  <Formula>
C22H24N6O

>  <Molecular Weight>
388.475000

>  <IUPAC Name>
2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-5-pyrazol-1-ylimidazo[1,2-a]pyridine

>  <XlogP>
3.5

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
COC1=CC=CC=C1N2CCN(CC2)CC3=CN4C(=N3)C=CC=C4N5C=CC=N5

>  <Isomeric SMILES>
COC1=CC=CC=C1N2CCN(CC2)CC3=CN4C(=N3)C=CC=C4N5C=CC=N5

>  <InChI Std. ID>
InChI=1S/C22H24N6O/c1-29-20-7-3-2-6-19(20)26-14-12-25(13-15-26)16-18-17-27-21(24-18)8-4-9-22(27)28-11-5-10-23-28/h2-11,17H,12-16H2,1H3

>  <InChI Key>
BZHJMSJFFNOURP-UHFFFAOYSA-N

