
 CHEMBL360851

 66 68  0  0  0  0  0  0  0  0999 V2000
    2.5295    5.7807   -2.9551 C   0  0  0  0  0
    2.7361    5.3448   -1.5143 C   0  0  0  0  0
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    8.7471    2.3108    0.3648 C   0  0  0  0  0
    9.2440    3.5029    0.2604 N   0  0  0  0  0
    8.3522    4.5262    0.0942 C   0  0  0  0  0
    8.5580    5.8858   -0.0618 C   0  0  0  0  0
    7.2688    6.4202   -0.2813 C   0  0  0  0  0
    6.3135    5.5003   -0.1493 N   0  0  0  0  0
    6.9576    4.3124    0.0552 N   0  0  0  0  0
    6.8786    7.8100   -0.6300 C   0  0  0  0  0
    9.8679    6.5192   -0.0628 C   0  0  0  0  0
   10.8654    6.0469   -0.9085 C   0  0  0  0  0
   12.1077    6.5852   -1.0283 N   0  0  0  0  0
   12.4345    7.6505   -0.2668 C   0  0  0  0  0
   11.4948    8.1625    0.6322 C   0  0  0  0  0
   10.2037    7.6049    0.7526 C   0  0  0  0  0
    9.2600    8.2336    1.7397 C   0  0  0  0  0
   13.7258    8.1798   -0.3734 N   0  0  0  0  0
   13.9502    9.5681   -0.0004 C   0  0  0  0  0
   14.4743    7.6968   -1.5306 C   0  0  0  0  0
    9.7108    1.1629    0.5422 C   0  0  0  0  0
    1.7790    6.5762   -3.0045 H   0  0  0  0  0
    2.1820    4.9468   -3.5727 H   0  0  0  0  0
    3.4596    6.1651   -3.3844 H   0  0  0  0  0
    1.7747    5.0236   -1.0952 H   0  0  0  0  0
    3.0740    6.2061   -0.9252 H   0  0  0  0  0
    4.6903    4.4969   -1.8856 H   0  0  0  0  0
    3.3834    3.3370   -1.9599 H   0  0  0  0  0
    3.0074    3.4967    0.4660 H   0  0  0  0  0
    4.2293    4.6916    0.6857 H   0  0  0  0  0
    3.4648    1.5925    1.1501 H   0  0  0  0  0
    5.0463    0.9043    1.2810 H   0  0  0  0  0
    5.0359    0.4251   -1.2139 H   0  0  0  0  0
    3.4309    1.1370   -1.3253 H   0  0  0  0  0
    2.5527   -0.5648    0.2950 H   0  0  0  0  0
    4.1553   -1.2989    0.3835 H   0  0  0  0  0
    2.4551   -1.0594   -2.1566 H   0  0  0  0  0
    2.6935   -2.5271   -1.1932 H   0  0  0  0  0
    4.0610   -1.8100   -2.0632 H   0  0  0  0  0
    7.0213    0.9459    0.4304 H   0  0  0  0  0
    6.0536    7.8117   -1.3501 H   0  0  0  0  0
    7.7107    8.3572   -1.0843 H   0  0  0  0  0
    6.5508    8.3499    0.2633 H   0  0  0  0  0
   10.6944    5.1881   -1.5522 H   0  0  0  0  0
   11.7526    8.9997    1.2709 H   0  0  0  0  0
    8.5522    7.5082    2.1489 H   0  0  0  0  0
    8.7101    9.0517    1.2616 H   0  0  0  0  0
    9.8079    8.6465    2.5925 H   0  0  0  0  0
   13.8010    9.7206    1.0742 H   0  0  0  0  0
   13.2950   10.2449   -0.5603 H   0  0  0  0  0
   14.9862    9.8645   -0.2036 H   0  0  0  0  0
   14.5682    6.6044   -1.5275 H   0  0  0  0  0
   15.4977    8.0902   -1.5178 H   0  0  0  0  0
   14.0067    8.0203   -2.4684 H   0  0  0  0  0
    9.1924    0.2019    0.5932 H   0  0  0  0  0
   10.2765    1.3083    1.4670 H   0  0  0  0  0
   10.4070    1.1431   -0.3014 H   0  0  0  0  0
  1  2  1  0  0  0
  1 31  1  0  0  0
  1 32  1  0  0  0
  1 33  1  0  0  0
  2  3  1  0  0  0
  2 34  1  0  0  0
  2 35  1  0  0  0
  3  4  1  0  0  0
  3 36  1  0  0  0
  3 37  1  0  0  0
  4  5  1  0  0  0
  4 38  1  0  0  0
  4 39  1  0  0  0
  5 10  1  0  0  0
  5  6  1  0  0  0
  6  7  1  0  0  0
  6 40  1  0  0  0
  6 41  1  0  0  0
  7  8  1  0  0  0
  7 42  1  0  0  0
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  8  9  1  0  0  0
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 20 21  2  0  0  0
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M  END

>  <Chemical Name>
CHEMBL360851

>  <PubChem CID>
11177298

>  <Formula>
C24H36N6

>  <Molecular Weight>
408.594000

>  <IUPAC Name>
N,N-dibutyl-3-[6-(dimethylamino)-4-methylpyridin-3-yl]-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine

>  <XlogP>
5.5

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CCCCN(CCCC)C1=CC(=NC2=C(C(=NN12)C)C3=CN=C(C=C3C)N(C)C)C

>  <Isomeric SMILES>
CCCCN(CCCC)C1=CC(=NC2=C(C(=NN12)C)C3=CN=C(C=C3C)N(C)C)C

>  <InChI Std. ID>
InChI=1S/C24H36N6/c1-8-10-12-29(13-11-9-2)22-15-18(4)26-24-23(19(5)27-30(22)24)20-16-25-21(28(6)7)14-17(20)3/h14-16H,8-13H2,1-7H3

>  <InChI Key>
BCRRIHHZEFPOBR-UHFFFAOYSA-N

