
 N-(4-fluorophenyl)-6-(morpholin-4-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine

 38 41  0  0  0  0  0  0  0  0999 V2000
    1.8871   -1.7339    1.0040 C   0  0  0  0  0
    0.7961   -2.5755    0.3229 C   0  0  0  0  0
   -0.5180   -2.1800    0.7455 O   0  0  0  0  0
   -0.7471   -0.8061    0.3986 C   0  0  0  0  0
    0.2656    0.1241    1.0821 C   0  0  0  0  0
    1.6425   -0.3006    0.7728 N   0  0  0  0  0
    2.6245    0.5386    1.3161 C   0  0  0  0  0
    2.2804    1.8065    1.5995 N   0  0  0  0  0
    3.2739    2.5234    2.1321 C   0  0  0  0  0
    4.5630    2.1065    2.3743 C   0  0  0  0  0
    5.1761    3.2213    2.9848 C   0  0  0  0  0
    4.3579    4.2769    3.0843 N   0  0  0  0  0
    3.2056    3.8191    2.5516 N   0  0  0  0  0
    4.8742    0.7996    2.0014 C   0  0  0  0  0
    3.8684    0.0343    1.4989 N   0  0  0  0  0
    6.1224    0.1840    2.1683 N   0  0  0  0  0
    7.4133    0.7138    1.9873 C   0  0  0  0  0
    7.6760    1.8408    1.1959 C   0  0  0  0  0
    8.9764    2.3377    1.0677 C   0  0  0  0  0
   10.0215    1.6993    1.7210 C   0  0  0  0  0
    9.7926    0.5678    2.4916 C   0  0  0  0  0
    8.4915    0.0743    2.6186 C   0  0  0  0  0
   11.2665    2.1783    1.6021 F   0  0  0  0  0
    1.8731   -1.9384    2.0826 H   0  0  0  0  0
    2.8561   -2.0469    0.5976 H   0  0  0  0  0
    0.9241   -3.6307    0.5842 H   0  0  0  0  0
    0.8589   -2.4929   -0.7689 H   0  0  0  0  0
   -0.7050   -0.7009   -0.6923 H   0  0  0  0  0
   -1.7616   -0.5471    0.7182 H   0  0  0  0  0
    0.0719    1.1448    0.7312 H   0  0  0  0  0
    0.1066    0.0870    2.1679 H   0  0  0  0  0
    6.1880    3.3081    3.3603 H   0  0  0  0  0
    2.4009    4.4321    2.5110 H   0  0  0  0  0
    6.0504   -0.7805    1.8562 H   0  0  0  0  0
    6.8775    2.3397    0.6527 H   0  0  0  0  0
    9.1764    3.2147    0.4602 H   0  0  0  0  0
   10.6229    0.0810    2.9928 H   0  0  0  0  0
    8.3177   -0.8044    3.2358 H   0  0  0  0  0
  1  6  1  0  0  0
  1  2  1  0  0  0
  1 24  1  0  0  0
  1 25  1  0  0  0
  2  3  1  0  0  0
  2 26  1  0  0  0
  2 27  1  0  0  0
  3  4  1  0  0  0
  4  5  1  0  0  0
  4 28  1  0  0  0
  4 29  1  0  0  0
  5  6  1  0  0  0
  5 30  1  0  0  0
  5 31  1  0  0  0
  6  7  1  0  0  0
  7 15  1  0  0  0
  7  8  2  0  0  0
  8  9  1  0  0  0
  9 10  2  0  0  0
  9 13  1  0  0  0
 10 14  1  0  0  0
 10 11  1  0  0  0
 11 12  2  0  0  0
 11 32  1  0  0  0
 12 13  1  0  0  0
 13 33  1  0  0  0
 14 15  2  0  0  0
 14 16  1  0  0  0
 16 17  1  0  0  0
 16 34  1  0  0  0
 17 18  2  0  0  0
 17 22  1  0  0  0
 18 19  1  0  0  0
 18 35  1  0  0  0
 19 20  2  0  0  0
 19 36  1  0  0  0
 20 21  1  0  0  0
 20 23  1  0  0  0
 21 22  2  0  0  0
 21 37  1  0  0  0
 22 38  1  0  0  0
M  END

>  <Chemical Name>
N-(4-fluorophenyl)-6-(morpholin-4-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine

>  <PubChem CID>
30859359

>  <Formula>
C15H15FN6O

>  <Molecular Weight>
314.324000

>  <IUPAC Name>
N-(4-fluorophenyl)-6-morpholin-4-yl-1H-pyrazolo[3,4-d]pyrimidin-4-amine

>  <XlogP>
2.2

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
C1COCCN1C2=NC3=C(C=NN3)C(=N2)NC4=CC=C(C=C4)F

>  <Isomeric SMILES>
C1COCCN1C2=NC3=C(C=NN3)C(=N2)NC4=CC=C(C=C4)F

>  <InChI Std. ID>
InChI=1S/C15H15FN6O/c16-10-1-3-11(4-2-10)18-13-12-9-17-21-14(12)20-15(19-13)22-5-7-23-8-6-22/h1-4,9H,5-8H2,(H2,17,18,19,20,21)

>  <InChI Key>
ALXXXCXQNDTUNV-UHFFFAOYSA-N

