57291394
  -OEChem-04242406542D

 41 43  0     0  0  0  0  0  0999 V2000
    2.8660   -1.6900    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.8100    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.3100    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -2.1900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.9128    1.6464    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -2.1900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4347    2.3045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2437    0.9033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -1.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4128    2.5124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9875    1.4177    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3860    0.7274    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2087    2.2023    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8101    2.8926    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -0.3800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0420    3.3469    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951    3.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4220    2.2731    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611   -2.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9739    2.7194    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3726    0.2968    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    1.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6650    3.0788    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -0.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.9300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    1.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -2.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -1.8800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 18  1  0  0  0  0
  2  3  1  0  0  0  0
  2  7  1  0  0  0  0
  2  8  1  0  0  0  0
  3 15  1  0  0  0  0
  3 16  1  0  0  0  0
  4 14  1  0  0  0  0
  4 17  2  0  0  0  0
  5 16  2  0  0  0  0
  5 20  1  0  0  0  0
  6 17  1  0  0  0  0
  6 40  1  0  0  0  0
  6 41  1  0  0  0  0
  7  9  1  0  0  0  0
  7 24  1  0  0  0  0
  7 25  1  0  0  0  0
  8 10  1  0  0  0  0
  8 11  2  0  0  0  0
  9 13  1  0  0  0  0
  9 26  1  0  0  0  0
  9 27  1  0  0  0  0
 10 12  1  0  0  0  0
 10 14  2  0  0  0  0
 11 17  1  0  0  0  0
 11 28  1  0  0  0  0
 12 18  1  0  0  0  0
 12 19  2  0  0  0  0
 13 29  1  0  0  0  0
 13 30  1  0  0  0  0
 13 31  1  0  0  0  0
 14 32  1  0  0  0  0
 15 20  2  0  0  0  0
 15 33  1  0  0  0  0
 16 34  1  0  0  0  0
 18 21  2  0  0  0  0
 19 22  1  0  0  0  0
 19 35  1  0  0  0  0
 20 36  1  0  0  0  0
 21 23  1  0  0  0  0
 21 37  1  0  0  0  0
 22 23  2  0  0  0  0
 22 38  1  0  0  0  0
 23 39  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
57291394

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
369

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
5

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7gQAAAAAAAAAAAAAAAAAAAWAAAAA8QAAAAAAAAAAB8AAAHQAYAAAADAjBGgw/8JZIEACgAjZnZACShC0xEqAd2CA4dJiIaGLA2dGUJAhomALIyCcQgMAOgAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
5-(2-fluorophenyl)-N4-imidazol-1-yl-N4-propyl-pyridine-2,4-diamine

> <PUBCHEM_IUPAC_CAS_NAME>
5-(2-fluorophenyl)-N4-(1-imidazolyl)-N4-propylpyridine-2,4-diamine

> <PUBCHEM_IUPAC_NAME_MARKUP>
5-(2-fluorophenyl)-4-<I>N</I>-imidazol-1-yl-4-<I>N</I>-propylpyridine-2,4-diamine

> <PUBCHEM_IUPAC_NAME>
5-(2-fluorophenyl)-4-N-imidazol-1-yl-4-N-propylpyridine-2,4-diamine

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
5-(2-fluorophenyl)-N4-imidazol-1-yl-N4-propyl-pyridine-2,4-diamine

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
[2-amino-5-(2-fluorophenyl)-4-pyridyl]-imidazol-1-yl-propyl-amine

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C17H18FN5/c1-2-8-23(22-9-7-20-12-22)16-10-17(19)21-11-14(16)13-5-3-4-6-15(13)18/h3-7,9-12H,2,8H2,1H3,(H2,19,21)

> <PUBCHEM_IUPAC_INCHIKEY>
QMQIWMLFSBXTFN-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
3.3

> <PUBCHEM_EXACT_MASS>
311.15462376

> <PUBCHEM_MOLECULAR_FORMULA>
C17H18FN5

> <PUBCHEM_MOLECULAR_WEIGHT>
311.36

> <PUBCHEM_OPENEYE_CAN_SMILES>
CCCN(C1=CC(=NC=C1C2=CC=CC=C2F)N)N3C=CN=C3

> <PUBCHEM_OPENEYE_ISO_SMILES>
CCCN(C1=CC(=NC=C1C2=CC=CC=C2F)N)N3C=CN=C3

> <PUBCHEM_CACTVS_TPSA>
60

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
311.15462376

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
23

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <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>
10  14  8
11  17  8
12  18  8
12  19  8
15  20  8
18  21  8
19  22  8
21  23  8
22  23  8
3  15  8
3  16  8
4  14  8
4  17  8
5  16  8
5  20  8
8  10  8
8  11  8

$$$$