
 (R)-ZINC-3573

 44 47  0  0  0  0  0  0  0  0999 V2000
    2.9228    0.0714   -2.1289 C   0  0  0  0  0
    3.1418    0.2060   -0.6858 N   0  0  0  0  0
    4.1365   -0.7784   -0.2509 C   0  0  0  0  0
    3.5420    1.5813   -0.3184 C   0  0  0  0  0
    2.4854    2.6367   -0.6466 C   0  0  0  0  0
    2.9227    3.8441    0.1783 C   0  0  0  0  0
    3.5340    3.2752    1.3854 N   0  0  0  0  0
    3.7307    1.8303    1.1986 C   0  0  0  0  0
    3.7911    3.9843    2.5792 C   0  0  0  0  0
    4.1845    3.3636    3.7107 C   0  0  0  0  0
    4.4280    4.1912    4.9347 C   0  0  0  0  0
    4.2459    5.4782    5.0006 N   0  0  0  0  0
    3.8446    6.0970    3.8544 C   0  0  0  0  0
    3.5694    7.4213    3.6073 C   0  0  0  0  0
    3.2238    7.4768    2.2551 C   0  0  0  0  0
    3.2677    6.2876    1.6585 N   0  0  0  0  0
    3.6300    5.4067    2.6475 N   0  0  0  0  0
    4.8805    3.4626    6.1587 C   0  0  0  0  0
    4.4882    3.9505    7.4118 C   0  0  0  0  0
    4.8878    3.2982    8.5797 C   0  0  0  0  0
    5.6889    2.1597    8.5027 C   0  0  0  0  0
    6.1000    1.6790    7.2607 C   0  0  0  0  0
    5.7043    2.3306    6.0899 C   0  0  0  0  0
    2.1032    0.7122   -2.4689 H   0  0  0  0  0
    2.6239   -0.9534   -2.3783 H   0  0  0  0  0
    3.8214    0.3168   -2.7063 H   0  0  0  0  0
    3.8219   -1.7917   -0.5269 H   0  0  0  0  0
    4.2385   -0.7825    0.8394 H   0  0  0  0  0
    5.1218   -0.5920   -0.6928 H   0  0  0  0  0
    4.4768    1.8488   -0.8331 H   0  0  0  0  0
    1.4913    2.3053   -0.3191 H   0  0  0  0  0
    2.4302    2.8820   -1.7115 H   0  0  0  0  0
    3.6650    4.4340   -0.3721 H   0  0  0  0  0
    2.0462    4.4611    0.4006 H   0  0  0  0  0
    4.7320    1.5177    1.5140 H   0  0  0  0  0
    2.9820    1.2838    1.7839 H   0  0  0  0  0
    4.2894    2.2912    3.7718 H   0  0  0  0  0
    3.6231    8.2279    4.3224 H   0  0  0  0  0
    2.9420    8.3425    1.6703 H   0  0  0  0  0
    3.8662    4.8406    7.4836 H   0  0  0  0  0
    4.5765    3.6816    9.5480 H   0  0  0  0  0
    6.0010    1.6537    9.4131 H   0  0  0  0  0
    6.7386    0.8005    7.2046 H   0  0  0  0  0
    6.0698    1.9541    5.1387 H   0  0  0  0  0
  1  2  1  0  0  0
  1 24  1  0  0  0
  1 25  1  0  0  0
  1 26  1  0  0  0
  2  4  1  0  0  0
  2  3  1  0  0  0
  3 27  1  0  0  0
  3 28  1  0  0  0
  3 29  1  0  0  0
  4  8  1  0  0  0
  4  5  1  0  0  0
  4 30  1  0  0  0
  5  6  1  0  0  0
  5 31  1  0  0  0
  5 32  1  0  0  0
  6  7  1  0  0  0
  6 33  1  0  0  0
  6 34  1  0  0  0
  7  8  1  0  0  0
  7  9  1  0  0  0
  8 35  1  0  0  0
  8 36  1  0  0  0
  9 10  2  0  0  0
  9 17  1  0  0  0
 10 11  1  0  0  0
 10 37  1  0  0  0
 11 12  2  0  0  0
 11 18  1  0  0  0
 12 13  1  0  0  0
 13 17  1  0  0  0
 13 14  2  0  0  0
 14 15  1  0  0  0
 14 38  1  0  0  0
 15 16  2  0  0  0
 15 39  1  0  0  0
 16 17  1  0  0  0
 18 19  2  0  0  0
 18 23  1  0  0  0
 19 20  1  0  0  0
 19 40  1  0  0  0
 20 21  2  0  0  0
 20 41  1  0  0  0
 21 22  1  0  0  0
 21 42  1  0  0  0
 22 23  2  0  0  0
 22 43  1  0  0  0
 23 44  1  0  0  0
M  END

>  <Chemical Name>
(R)-ZINC-3573

>  <PubChem CID>
95882507

>  <Formula>
C18H21N5

>  <Molecular Weight>
307.401000

>  <IUPAC Name>
(3R)-N,N-dimethyl-1-(5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-3-amine

>  <XlogP>
2.7

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CN(C)C1CCN(C1)C2=CC(=NC3=CC=NN32)C4=CC=CC=C4

>  <Isomeric SMILES>
CN(C)[C@@H]1CCN(C1)C2=CC(=NC3=CC=NN32)C4=CC=CC=C4

>  <InChI Std. ID>
InChI=1S/C18H21N5/c1-21(2)15-9-11-22(13-15)18-12-16(14-6-4-3-5-7-14)20-17-8-10-19-23(17)18/h3-8,10,12,15H,9,11,13H2,1-2H3/t15-/m1/s1

>  <InChI Key>
XKBSPAZCFAIBJL-OAHLLOKOSA-N

