
 CHEMBL185055

 66 68  0  0  0  0  0  0  0  0999 V2000
    1.0073    1.6116   -1.7212 C   0  0  0  0  0
    2.5169    1.4316   -1.7466 C   0  0  0  0  0
    3.0765    1.1998   -0.3414 C   0  0  0  0  0
    4.5562    1.2354   -0.3369 N   0  0  0  0  0
    5.1846   -0.0690   -0.6382 C   0  0  0  0  0
    5.8045   -0.0845   -2.0385 C   0  0  0  0  0
    6.4288   -1.4359   -2.3513 C   0  0  0  0  0
    5.3127    2.4273   -0.0787 C   0  0  0  0  0
    6.6406    2.3911    0.1544 C   0  0  0  0  0
    7.3625    3.6719    0.3960 C   0  0  0  0  0
    6.8181    4.8476    0.3759 N   0  0  0  0  0
    5.4758    4.9005    0.1180 C   0  0  0  0  0
    4.6173    5.9754   -0.0410 C   0  0  0  0  0
    3.3396    5.3932   -0.2117 C   0  0  0  0  0
    3.3901    4.0627   -0.2552 N   0  0  0  0  0
    4.7018    3.7337   -0.0716 N   0  0  0  0  0
    2.0319    6.0818   -0.3603 C   0  0  0  0  0
    4.9613    7.3902    0.0114 C   0  0  0  0  0
    4.1018    8.1232    0.7663 N   0  0  0  0  0
    4.2616    9.4706    0.7836 C   0  0  0  0  0
    5.2214   10.1767    0.0660 C   0  0  0  0  0
    6.0963    9.3847   -0.6847 C   0  0  0  0  0
    5.9773    7.9825   -0.7438 C   0  0  0  0  0
    6.9535    7.2270   -1.5955 C   0  0  0  0  0
    5.3455   11.5693    0.0365 N   0  0  0  0  0
    5.0575   12.1808   -1.2752 C   0  0  0  0  0
    3.5640   12.3809   -1.5061 C   0  0  0  0  0
    4.9698   12.3581    1.2174 C   0  0  0  0  0
    5.9989   12.1944    2.3257 C   0  0  0  0  0
    8.8443    3.5893    0.6626 C   0  0  0  0  0
    0.6294    1.7826   -2.7341 H   0  0  0  0  0
    0.7235    2.4700   -1.1044 H   0  0  0  0  0
    0.5137    0.7209   -1.3202 H   0  0  0  0  0
    2.9766    2.3082   -2.2153 H   0  0  0  0  0
    2.7604    0.5766   -2.3871 H   0  0  0  0  0
    2.7287    0.2216    0.0164 H   0  0  0  0  0
    2.6638    1.8989    0.3931 H   0  0  0  0  0
    4.4451   -0.8773   -0.5752 H   0  0  0  0  0
    5.9351   -0.3095    0.1230 H   0  0  0  0  0
    6.5740    0.6893   -2.1322 H   0  0  0  0  0
    5.0433    0.1409   -2.7930 H   0  0  0  0  0
    7.2103   -1.6844   -1.6259 H   0  0  0  0  0
    6.8819   -1.4230   -3.3474 H   0  0  0  0  0
    5.6755   -2.2300   -2.3315 H   0  0  0  0  0
    7.2219    1.4834    0.1828 H   0  0  0  0  0
    1.2461    5.3855   -0.6716 H   0  0  0  0  0
    2.0925    6.8733   -1.1137 H   0  0  0  0  0
    1.7254    6.5276    0.5917 H   0  0  0  0  0
    3.5243    9.9805    1.3943 H   0  0  0  0  0
    6.8967    9.8725   -1.2372 H   0  0  0  0  0
    6.4847    6.3773   -2.0979 H   0  0  0  0  0
    7.7988    6.8867   -0.9907 H   0  0  0  0  0
    7.3538    7.8674   -2.3911 H   0  0  0  0  0
    5.4737   11.5864   -2.0977 H   0  0  0  0  0
    5.5620   13.1534   -1.3279 H   0  0  0  0  0
    3.0137   11.4389   -1.4274 H   0  0  0  0  0
    3.3903   12.7939   -2.5047 H   0  0  0  0  0
    3.1392   13.0802   -0.7790 H   0  0  0  0  0
    3.9645   12.1120    1.5748 H   0  0  0  0  0
    4.9454   13.4229    0.9529 H   0  0  0  0  0
    6.0635   11.1582    2.6713 H   0  0  0  0  0
    5.7330   12.8216    3.1830 H   0  0  0  0  0
    6.9932   12.4963    1.9797 H   0  0  0  0  0
    9.1846    2.5535    0.7410 H   0  0  0  0  0
    9.0734    4.1068    1.5989 H   0  0  0  0  0
    9.3822    4.0775   -0.1552 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  8  1  0  0  0
  4  5  1  0  0  0
  5  6  1  0  0  0
  5 38  1  0  0  0
  5 39  1  0  0  0
  6  7  1  0  0  0
  6 40  1  0  0  0
  6 41  1  0  0  0
  7 42  1  0  0  0
  7 43  1  0  0  0
  7 44  1  0  0  0
  8  9  2  0  0  0
  8 16  1  0  0  0
  9 10  1  0  0  0
  9 45  1  0  0  0
 10 11  2  0  0  0
 10 30  1  0  0  0
 11 12  1  0  0  0
 12 16  1  0  0  0
 12 13  2  0  0  0
 13 14  1  0  0  0
 13 18  1  0  0  0
 14 15  2  0  0  0
 14 17  1  0  0  0
 15 16  1  0  0  0
 17 46  1  0  0  0
 17 47  1  0  0  0
 17 48  1  0  0  0
 18 23  1  0  0  0
 18 19  2  0  0  0
 19 20  1  0  0  0
 20 21  2  0  0  0
 20 49  1  0  0  0
 21 22  1  0  0  0
 21 25  1  0  0  0
 22 23  2  0  0  0
 22 50  1  0  0  0
 23 24  1  0  0  0
 24 51  1  0  0  0
 24 52  1  0  0  0
 24 53  1  0  0  0
 25 28  1  0  0  0
 25 26  1  0  0  0
 26 27  1  0  0  0
 26 54  1  0  0  0
 26 55  1  0  0  0
 27 56  1  0  0  0
 27 57  1  0  0  0
 27 58  1  0  0  0
 28 29  1  0  0  0
 28 59  1  0  0  0
 28 60  1  0  0  0
 29 61  1  0  0  0
 29 62  1  0  0  0
 29 63  1  0  0  0
 30 64  1  0  0  0
 30 65  1  0  0  0
 30 66  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL185055

>  <PubChem CID>
44392693

>  <Formula>
C24H36N6

>  <Molecular Weight>
408.594000

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

>  <XlogP>
5.2

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
5

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

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

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

>  <InChI Key>
ASNVMKWQMCCGRQ-UHFFFAOYSA-N

