
 CHEMBL1928133

 70 73  0  0  0  0  0  0  0  0999 V2000
    6.7500   12.8958    5.7671 C   0  0  0  0  0
    7.7600   13.4306    4.7663 C   0  0  0  0  0
    8.4224   12.3786    4.0639 O   0  0  0  0  0
    7.6020   11.7696    3.0701 C   0  0  0  0  0
    8.3999   10.7257    2.2923 C   0  0  0  0  0
    7.5311   10.1897    1.2960 O   0  0  0  0  0
    8.0279    9.2587    0.4253 C   0  0  0  0  0
    9.1640    8.5318    0.5455 C   0  0  0  0  0
    9.5342    7.6061   -0.4863 C   0  0  0  0  0
   10.5647    6.6967   -0.6756 C   0  0  0  0  0
   10.2804    6.1471   -1.9462 C   0  0  0  0  0
    9.1797    6.6370   -2.5108 N   0  0  0  0  0
    8.6993    7.5214   -1.6054 N   0  0  0  0  0
    7.5286    8.2650   -1.7203 C   0  0  0  0  0
    7.1705    9.1091   -0.7407 C   0  0  0  0  0
   11.6511    6.3866    0.2443 C   0  0  0  0  0
   11.7562    6.9113    1.3487 O   0  0  0  0  0
   12.5469    5.4407   -0.2139 N   0  0  0  0  0
   13.6524    4.9625    0.5885 C   0  0  0  0  0
   14.9120    5.8014    0.3872 C   0  0  0  0  0
   16.0477    5.2546    1.2607 C   0  0  0  0  0
   17.3355    5.9418    1.0686 N   0  0  0  0  0
   17.3071    7.3633    1.4957 C   0  0  0  0  0
   17.1640    7.5978    3.0199 C   0  0  0  0  0
   18.2158    6.8590    3.7528 N   0  0  0  0  0
   18.2848    5.4308    3.3977 C   0  0  0  0  0
   18.4061    5.2683    1.8587 C   0  0  0  0  0
   18.3137    7.2357    5.1061 C   0  0  0  0  0
   18.8542    8.5143    5.3627 C   0  0  0  0  0
   19.0082    9.0119    6.6570 C   0  0  0  0  0
   18.6274    8.2340    7.7399 C   0  0  0  0  0
   18.0923    6.9641    7.5252 C   0  0  0  0  0
   17.9196    6.4618    6.2233 C   0  0  0  0  0
   17.4056    5.2058    6.0088 O   0  0  0  0  0
   16.3898    4.7854    6.9130 C   0  0  0  0  0
    6.3659   13.7035    6.3968 H   0  0  0  0  0
    7.2054   12.1319    6.4052 H   0  0  0  0  0
    5.8985   12.4293    5.2625 H   0  0  0  0  0
    8.5330   13.9867    5.3067 H   0  0  0  0  0
    7.2906   14.1270    4.0619 H   0  0  0  0  0
    7.2186   12.5304    2.3790 H   0  0  0  0  0
    6.7391   11.2811    3.5357 H   0  0  0  0  0
    8.7487    9.9447    2.9776 H   0  0  0  0  0
    9.2717   11.1989    1.8239 H   0  0  0  0  0
    9.8103    8.6188    1.4121 H   0  0  0  0  0
   10.8270    5.3939   -2.4972 H   0  0  0  0  0
    6.9500    8.1125   -2.6198 H   0  0  0  0  0
    6.2613    9.6962   -0.8018 H   0  0  0  0  0
   12.4802    5.0939   -1.1580 H   0  0  0  0  0
   13.8346    3.9251    0.2875 H   0  0  0  0  0
   13.3562    4.9613    1.6433 H   0  0  0  0  0
   14.6870    6.8427    0.6419 H   0  0  0  0  0
   15.2053    5.7852   -0.6700 H   0  0  0  0  0
   16.1849    4.1981    0.9938 H   0  0  0  0  0
   15.7264    5.2715    2.3079 H   0  0  0  0  0
   16.5280    7.9165    0.9616 H   0  0  0  0  0
   18.2501    7.8221    1.1669 H   0  0  0  0  0
   17.2390    8.6776    3.1957 H   0  0  0  0  0
   16.1717    7.2798    3.3632 H   0  0  0  0  0
   19.1609    4.9667    3.8660 H   0  0  0  0  0
   17.3899    4.8930    3.7253 H   0  0  0  0  0
   19.3719    5.6808    1.5372 H   0  0  0  0  0
   18.4409    4.2018    1.6043 H   0  0  0  0  0
   19.1882    9.1261    4.5270 H   0  0  0  0  0
   19.4390    9.9970    6.8115 H   0  0  0  0  0
   18.7580    8.6066    8.7521 H   0  0  0  0  0
   17.8339    6.3715    8.3963 H   0  0  0  0  0
   15.6098    5.5464    7.0233 H   0  0  0  0  0
   16.8126    4.5090    7.8836 H   0  0  0  0  0
   15.9251    3.8871    6.4946 H   0  0  0  0  0
  1  2  1  0  0  0
  1 36  1  0  0  0
  1 37  1  0  0  0
  1 38  1  0  0  0
  2  3  1  0  0  0
  2 39  1  0  0  0
  2 40  1  0  0  0
  3  4  1  0  0  0
  4  5  1  0  0  0
  4 41  1  0  0  0
  4 42  1  0  0  0
  5  6  1  0  0  0
  5 43  1  0  0  0
  5 44  1  0  0  0
  6  7  1  0  0  0
  7 15  1  0  0  0
  7  8  2  0  0  0
  8  9  1  0  0  0
  8 45  1  0  0  0
  9 13  1  0  0  0
  9 10  2  0  0  0
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 11 12  2  0  0  0
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 20 21  1  0  0  0
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 24 25  1  0  0  0
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 28 29  2  0  0  0
 28 33  1  0  0  0
 29 30  1  0  0  0
 29 64  1  0  0  0
 30 31  2  0  0  0
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 31 32  1  0  0  0
 31 66  1  0  0  0
 32 33  2  0  0  0
 32 67  1  0  0  0
 33 34  1  0  0  0
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 35 68  1  0  0  0
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 35 70  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL1928133

>  <PubChem CID>
57391897

>  <Formula>
C26H35N5O4

>  <Molecular Weight>
481.597000

>  <IUPAC Name>
5-(2-ethoxyethoxy)-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]pyrazolo[1,5-a]pyridine-3-carboxamide

>  <XlogP>
2.5

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
CCOCCOC1=CC2=C(C=NN2C=C1)C(=O)NCCCN3CCN(CC3)C4=CC=CC=C4OC

>  <Isomeric SMILES>
CCOCCOC1=CC2=C(C=NN2C=C1)C(=O)NCCCN3CCN(CC3)C4=CC=CC=C4OC

>  <InChI Std. ID>
InChI=1S/C26H35N5O4/c1-3-34-17-18-35-21-9-12-31-24(19-21)22(20-28-31)26(32)27-10-6-11-29-13-15-30(16-14-29)23-7-4-5-8-25(23)33-2/h4-5,7-9,12,19-20H,3,6,10-11,13-18H2,1-2H3,(H,27,32)

>  <InChI Key>
BEYYMPWIMDYWDO-UHFFFAOYSA-N

