
 CHEMBL2381809

 64 68  0  0  0  0  0  0  0  0999 V2000
    5.5848   -1.0023    4.4800 C   0  0  0  0  0
    5.4754   -0.7059    2.9929 C   0  0  0  0  0
    6.8317   -0.8256    2.2972 C   0  0  0  0  0
    6.7254   -0.4620    0.8136 C   0  0  0  0  0
    8.0544   -0.5839    0.0555 C   0  0  0  0  0
    9.0925    0.2968    0.6190 N   0  0  0  0  0
    8.9883    1.6819    0.5463 C   0  0  0  0  0
    9.8214    2.5609    1.1298 C   0  0  0  0  0
   10.9671    2.0272    1.9070 C   0  0  0  0  0
   11.7776    2.7282    2.5055 O   0  0  0  0  0
   11.0538    0.6210    1.9078 N   0  0  0  0  0
   10.1519   -0.2384    1.2952 C   0  0  0  0  0
   10.5974   -1.5108    1.5522 C   0  0  0  0  0
   11.7800   -1.3473    2.3129 C   0  0  0  0  0
   12.0607   -0.0552    2.5288 N   0  0  0  0  0
   12.6772   -2.4394    2.8015 C   0  0  0  0  0
   13.2538   -2.2080    4.1889 C   0  0  0  0  0
    9.5023    4.0029    0.9714 C   0  0  0  0  0
    8.5752    4.3528    0.2439 O   0  0  0  0  0
   10.2680    4.8886    1.6889 N   0  0  0  0  0
   10.0372    6.3390    1.7170 C   0  0  0  0  0
   10.1993    6.9703    0.3083 C   0  0  0  0  0
    9.9687    8.4903    0.3619 C   0  0  0  0  0
   11.0025    9.1259    1.3035 C   0  0  0  0  0
   10.8593    8.5344    2.7147 C   0  0  0  0  0
   11.0746    7.0082    2.6531 C   0  0  0  0  0
    9.4455    8.8293    3.2406 C   0  0  0  0  0
    8.3994    8.1932    2.3136 C   0  0  0  0  0
    8.5533    8.7685    0.8956 C   0  0  0  0  0
    8.6236    6.6731    2.2678 C   0  0  0  0  0
    4.6025   -0.9210    4.9557 H   0  0  0  0  0
    6.2589   -0.2935    4.9719 H   0  0  0  0  0
    5.9647   -2.0142    4.6522 H   0  0  0  0  0
    5.0763    0.3066    2.8596 H   0  0  0  0  0
    4.7603   -1.3998    2.5364 H   0  0  0  0  0
    7.2125   -1.8486    2.4005 H   0  0  0  0  0
    7.5448   -0.1605    2.7977 H   0  0  0  0  0
    6.3349    0.5586    0.7185 H   0  0  0  0  0
    5.9927   -1.1207    0.3312 H   0  0  0  0  0
    7.8899   -0.3068   -0.9938 H   0  0  0  0  0
    8.3681   -1.6338    0.0386 H   0  0  0  0  0
    8.1260    2.0174   -0.0306 H   0  0  0  0  0
   10.1559   -2.4420    1.2297 H   0  0  0  0  0
   13.4956   -2.5723    2.0839 H   0  0  0  0  0
   12.1154   -3.3822    2.8151 H   0  0  0  0  0
   13.9075   -1.3298    4.2065 H   0  0  0  0  0
   13.8486   -3.0739    4.4978 H   0  0  0  0  0
   12.4608   -2.0573    4.9287 H   0  0  0  0  0
   11.0303    4.5122    2.2520 H   0  0  0  0  0
    9.4941    6.5330   -0.4072 H   0  0  0  0  0
   11.2027    6.7579   -0.0838 H   0  0  0  0  0
   10.0740    8.9144   -0.6430 H   0  0  0  0  0
   12.0158    8.9496    0.9230 H   0  0  0  0  0
   10.8592   10.2132    1.3358 H   0  0  0  0  0
   11.6019    8.9869    3.3813 H   0  0  0  0  0
   12.0930    6.7945    2.3042 H   0  0  0  0  0
   11.0006    6.5861    3.6637 H   0  0  0  0  0
    9.2840    9.9129    3.2978 H   0  0  0  0  0
    9.3335    8.4367    4.2585 H   0  0  0  0  0
    7.3927    8.4058    2.6910 H   0  0  0  0  0
    7.8064    8.3223    0.2271 H   0  0  0  0  0
    8.3636    9.8488    0.9079 H   0  0  0  0  0
    8.5033    6.2466    3.2726 H   0  0  0  0  0
    7.8392    6.2216    1.6503 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  6  1  0  0  0
  5 40  1  0  0  0
  5 41  1  0  0  0
  6  7  1  0  0  0
  6 12  1  0  0  0
  7  8  2  0  0  0
  7 42  1  0  0  0
  8  9  1  0  0  0
  8 18  1  0  0  0
  9 11  1  0  0  0
  9 10  2  0  0  0
 11 15  1  0  0  0
 11 12  1  0  0  0
 12 13  2  0  0  0
 13 14  1  0  0  0
 13 43  1  0  0  0
 14 15  2  0  0  0
 14 16  1  0  0  0
 16 17  1  0  0  0
 16 44  1  0  0  0
 16 45  1  0  0  0
 17 46  1  0  0  0
 17 47  1  0  0  0
 17 48  1  0  0  0
 18 20  1  0  0  0
 18 19  2  0  0  0
 20 21  1  0  0  0
 20 49  1  0  0  0
 21 22  1  0  0  0
 21 26  1  0  0  0
 21 30  1  0  0  0
 22 23  1  0  0  0
 22 50  1  0  0  0
 22 51  1  0  0  0
 23 24  1  0  0  0
 23 29  1  0  0  0
 23 52  1  0  0  0
 24 25  1  0  0  0
 24 53  1  0  0  0
 24 54  1  0  0  0
 25 26  1  0  0  0
 25 27  1  0  0  0
 25 55  1  0  0  0
 26 56  1  0  0  0
 26 57  1  0  0  0
 27 28  1  0  0  0
 27 58  1  0  0  0
 27 59  1  0  0  0
 28 29  1  0  0  0
 28 30  1  0  0  0
 28 60  1  0  0  0
 29 61  1  0  0  0
 29 62  1  0  0  0
 30 63  1  0  0  0
 30 64  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL2381809

>  <PubChem CID>
71680717

>  <Formula>
C24H34N4O2

>  <Molecular Weight>
410.562000

>  <IUPAC Name>
N-(1-adamantyl)-2-ethyl-7-oxo-4-pentylpyrazolo[1,5-a]pyrimidine-6-carboxamide

>  <XlogP>
5.2

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CCCCCN1C=C(C(=O)N2C1=CC(=N2)CC)C(=O)NC34CC5CC(C3)CC(C5)C4

>  <Isomeric SMILES>
CCCCCN1C=C(C(=O)N2C1=CC(=N2)CC)C(=O)NC34CC5CC(C3)CC(C5)C4

>  <InChI Std. ID>
InChI=1S/C24H34N4O2/c1-3-5-6-7-27-15-20(23(30)28-21(27)11-19(4-2)26-28)22(29)25-24-12-16-8-17(13-24)10-18(9-16)14-24/h11,15-18H,3-10,12-14H2,1-2H3,(H,25,29)

>  <InChI Key>
DVFWRDGEWDQGNU-UHFFFAOYSA-N

