
 195055-03-9

 60 62  0  0  0  0  0  0  0  0999 V2000
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    2.1894    1.4094   -1.4224 C   0  0  0  0  0
    2.9277    1.3115   -0.0861 C   0  0  0  0  0
    4.3908    1.4311   -0.2626 N   0  0  0  0  0
    5.0456    0.1919   -0.7319 C   0  0  0  0  0
    5.5783    0.3521   -2.1592 C   0  0  0  0  0
    6.2271   -0.9295   -2.6572 C   0  0  0  0  0
    5.1090    2.6398   -0.0111 C   0  0  0  0  0
    6.4363    2.6413    0.2384 C   0  0  0  0  0
    7.1199    3.9458    0.4581 C   0  0  0  0  0
    6.5425    5.1063    0.4074 N   0  0  0  0  0
    5.2009    5.1111    0.1389 C   0  0  0  0  0
    4.3209    6.1625   -0.0500 C   0  0  0  0  0
    3.0800    5.5501   -0.3370 C   0  0  0  0  0
    3.1523    4.2197   -0.2864 N   0  0  0  0  0
    4.4639    3.9244   -0.0435 N   0  0  0  0  0
    1.7852    6.1836   -0.6918 C   0  0  0  0  0
    4.7155    7.5622   -0.0537 C   0  0  0  0  0
    5.7352    7.9774   -0.9038 C   0  0  0  0  0
    6.1430    9.2613   -1.0644 N   0  0  0  0  0
    5.5420   10.2307   -0.3449 C   0  0  0  0  0
    4.5366    9.8861    0.5642 C   0  0  0  0  0
    4.1109    8.5507    0.7276 C   0  0  0  0  0
    3.0084    8.2769    1.7107 C   0  0  0  0  0
    5.9777   11.5512   -0.5099 N   0  0  0  0  0
    5.0511   12.6336   -0.2123 C   0  0  0  0  0
    6.8364   11.7487   -1.6762 C   0  0  0  0  0
    8.6016    3.9097    0.7428 C   0  0  0  0  0
    0.1729    1.5028   -2.1884 H   0  0  0  0  0
    0.3657    2.2373   -0.5875 H   0  0  0  0  0
    0.3522    0.4704   -0.7599 H   0  0  0  0  0
    2.4803    2.3146   -1.9657 H   0  0  0  0  0
    2.4627    0.5642   -2.0644 H   0  0  0  0  0
    2.7011    0.3411    0.3757 H   0  0  0  0  0
    2.5552    2.0424    0.6394 H   0  0  0  0  0
    4.3382   -0.6470   -0.7133 H   0  0  0  0  0
    5.8507   -0.0926   -0.0448 H   0  0  0  0  0
    6.3149    1.1613   -2.2102 H   0  0  0  0  0
    4.7633    0.6298   -2.8371 H   0  0  0  0  0
    7.0683   -1.2165   -2.0182 H   0  0  0  0  0
    6.6057   -0.7915   -3.6749 H   0  0  0  0  0
    5.5075   -1.7542   -2.6715 H   0  0  0  0  0
    7.0364    1.7462    0.2919 H   0  0  0  0  0
    1.2275    5.5634   -1.4016 H   0  0  0  0  0
    1.9337    7.1628   -1.1569 H   0  0  0  0  0
    1.1682    6.3114    0.2030 H   0  0  0  0  0
    6.2735    7.2637   -1.5234 H   0  0  0  0  0
    4.0684   10.6515    1.1732 H   0  0  0  0  0
    3.0745    7.2695    2.1317 H   0  0  0  0  0
    2.0360    8.4053    1.2261 H   0  0  0  0  0
    3.0629    8.9714    2.5562 H   0  0  0  0  0
    4.8202   12.6760    0.8573 H   0  0  0  0  0
    4.1220   12.5345   -0.7841 H   0  0  0  0  0
    5.4939   13.6045   -0.4624 H   0  0  0  0  0
    7.7297   11.1149   -1.6359 H   0  0  0  0  0
    7.1984   12.7826   -1.7157 H   0  0  0  0  0
    6.2921   11.5527   -2.6076 H   0  0  0  0  0
    8.9685    2.8851    0.8446 H   0  0  0  0  0
    8.8060    4.4501    1.6715 H   0  0  0  0  0
    9.1358    4.3967   -0.0782 H   0  0  0  0  0
  1  2  1  0  0  0
  1 29  1  0  0  0
  1 30  1  0  0  0
  1 31  1  0  0  0
  2  3  1  0  0  0
  2 32  1  0  0  0
  2 33  1  0  0  0
  3  4  1  0  0  0
  3 34  1  0  0  0
  3 35  1  0  0  0
  4  8  1  0  0  0
  4  5  1  0  0  0
  5  6  1  0  0  0
  5 36  1  0  0  0
  5 37  1  0  0  0
  6  7  1  0  0  0
  6 38  1  0  0  0
  6 39  1  0  0  0
  7 40  1  0  0  0
  7 41  1  0  0  0
  7 42  1  0  0  0
  8  9  2  0  0  0
  8 16  1  0  0  0
  9 10  1  0  0  0
  9 43  1  0  0  0
 10 11  2  0  0  0
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 28 60  1  0  0  0
M  END

>  <Chemical Name>
195055-03-9

>  <PubChem CID>
9821250

>  <Formula>
C22H32N6

>  <Molecular Weight>
380.540000

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

>  <XlogP>
4.7

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
5

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

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

>  <InChI Std. ID>
InChI=1S/C22H32N6/c1-8-10-27(11-9-2)20-13-16(4)24-22-21(17(5)25-28(20)22)18-14-23-19(26(6)7)12-15(18)3/h12-14H,8-11H2,1-7H3

>  <InChI Key>
ANNRUWYFVIGKHA-UHFFFAOYSA-N

