68510299
  -OEChem-04162418042D

 48 51  0     1  0  0  0  0  0999 V2000
    9.7988   -2.1767    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    9.3934    3.0488    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -2.6767    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -1.6767    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2152   -2.9814    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.5044   -0.2152    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.7935    0.9415    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1472    1.4796    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -1.6767    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -3.1767    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -1.1767    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2152   -1.3719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -2.6767    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7988   -2.1767    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5259   -0.4214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7988   -2.1767    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8580    0.3229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1042    1.8921    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.2988   -1.3106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2988   -3.0427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8150    0.7353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1687    1.2734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0827    2.0983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2988   -1.3106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2988   -3.0427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4364    2.6364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7988   -2.1767    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0044   -3.6516    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8015   -3.6516    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8015   -0.7017    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0044   -0.7017    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9264   -2.5690    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3249   -3.2593    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.3667    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2514    0.1950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5183    1.4306    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9888   -0.7737    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9888   -3.5796    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2076    0.4801    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7546    1.7349    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1033    1.4786    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6965    2.0109    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8978    3.0504    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0223    3.0978    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9749    2.2223    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6088   -0.7737    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6088   -3.5796    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0000    3.1767    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 27  1  0  0  0  0
  2 23  1  0  0  0  0
  2 48  1  0  0  0  0
  3  5  1  0  0  0  0
  3  9  1  0  0  0  0
  3 10  1  0  0  0  0
  4 11  1  0  0  0  0
  4 13  1  0  0  0  0
  4 34  1  0  0  0  0
  5 14  2  0  0  0  0
  6 15  2  0  0  0  0
  6 21  1  0  0  0  0
  7 18  1  0  0  0  0
  7 21  1  0  0  0  0
  7 39  1  0  0  0  0
  8 21  2  0  0  0  0
  8 22  1  0  0  0  0
  9 11  1  0  0  0  0
  9 12  2  0  0  0  0
 10 13  1  0  0  0  0
 10 28  1  0  0  0  0
 10 29  1  0  0  0  0
 11 30  1  0  0  0  0
 11 31  1  0  0  0  0
 12 14  1  0  0  0  0
 12 15  1  0  0  0  0
 13 32  1  0  0  0  0
 13 33  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 19  2  0  0  0  0
 16 20  1  0  0  0  0
 17 22  2  0  0  0  0
 17 35  1  0  0  0  0
 18 23  1  0  0  0  0
 18 26  1  0  0  0  0
 18 36  1  0  0  0  0
 19 24  1  0  0  0  0
 19 37  1  0  0  0  0
 20 25  2  0  0  0  0
 20 38  1  0  0  0  0
 22 40  1  0  0  0  0
 23 41  1  0  0  0  0
 23 42  1  0  0  0  0
 24 27  2  0  0  0  0
 24 46  1  0  0  0  0
 25 27  1  0  0  0  0
 25 47  1  0  0  0  0
 26 43  1  0  0  0  0
 26 44  1  0  0  0  0
 26 45  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
68510299

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
477

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
7

> <PUBCHEM_CACTVS_HBOND_DONOR>
3

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
5

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7oQAAAAAAAAAAAAAAAAAAAWAAAAA8WIAAAAAAAFgB8AAAHwAYCAAADCjhng4/kJbIEgCiAzRnZACShCkxgqAZ2KA4ZJiKeKLA2dGU5AhomALYyCcQgMAOAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
2-[[4-[2-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl]pyrimidin-2-yl]amino]propan-1-ol

> <PUBCHEM_IUPAC_CAS_NAME>
2-[[4-[2-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl]-2-pyrimidinyl]amino]-1-propanol

> <PUBCHEM_IUPAC_NAME_MARKUP>
2-[[4-[2-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl]pyrimidin-2-yl]amino]propan-1-ol

> <PUBCHEM_IUPAC_NAME>
2-[[4-[2-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl]pyrimidin-2-yl]amino]propan-1-ol

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2-[[4-[2-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl]pyrimidin-2-yl]amino]propan-1-ol

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2-[[4-[2-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl]pyrimidin-2-yl]amino]propan-1-ol

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C19H21FN6O/c1-12(11-27)23-19-22-7-6-15(24-19)17-16-10-21-8-9-26(16)25-18(17)13-2-4-14(20)5-3-13/h2-7,12,21,27H,8-11H2,1H3,(H,22,23,24)

> <PUBCHEM_IUPAC_INCHIKEY>
BRXWAWZRMYSEMK-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
1.1

> <PUBCHEM_EXACT_MASS>
368.17608748

> <PUBCHEM_MOLECULAR_FORMULA>
C19H21FN6O

> <PUBCHEM_MOLECULAR_WEIGHT>
368.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC(CO)NC1=NC=CC(=N1)C2=C3CNCCN3N=C2C4=CC=C(C=C4)F

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC(CO)NC1=NC=CC(=N1)C2=C3CNCCN3N=C2C4=CC=C(C=C4)F

> <PUBCHEM_CACTVS_TPSA>
87.9

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
368.17608748

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
27

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
1

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
12  14  8
15  17  8
16  19  8
16  20  8
17  22  8
18  26  3
19  24  8
20  25  8
24  27  8
25  27  8
3  5  8
3  9  8
5  14  8
6  15  8
6  21  8
8  21  8
8  22  8
9  12  8

$$$$