60159487
  -OEChem-04252417042D

 39 42  0     0  0  0  0  0  0999 V2000
    7.2566    0.6333    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.2531    2.8662    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6103    1.1714    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783   -1.6802    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2619   -2.4849    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783   -3.2896    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.4849    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.8564    2.7406    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9889   -0.7296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3211    0.0147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9674   -0.5234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6318    0.9652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2781    0.4271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.9849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9209    2.1219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.9849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8994    2.3282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.4849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.9849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5673    1.5838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2101    3.2787    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.9849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5458    1.7901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1886    3.4849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4030   -1.1911    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7742    0.3067    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9385   -0.4732    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9880   -1.1431    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5812   -0.6108    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6112    1.5849    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0179    1.0525    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8250    0.1351    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6607    0.9150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.8649    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -1.6749    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7960    3.7401    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -3.2949    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9598    1.3286    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3812    4.0742    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 20  1  0  0  0  0
  2 15  2  0  0  0  0
  3 12  1  0  0  0  0
  3 13  1  0  0  0  0
  3 15  1  0  0  0  0
  4  5  1  0  0  0  0
  4  9  1  0  0  0  0
  4 14  1  0  0  0  0
  5  6  2  0  0  0  0
  6 16  1  0  0  0  0
  7 16  1  0  0  0  0
  7 22  2  0  0  0  0
  8 23  2  0  0  0  0
  8 24  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 25  1  0  0  0  0
 10 12  1  0  0  0  0
 10 26  1  0  0  0  0
 10 27  1  0  0  0  0
 11 13  1  0  0  0  0
 11 28  1  0  0  0  0
 11 29  1  0  0  0  0
 12 30  1  0  0  0  0
 12 31  1  0  0  0  0
 13 32  1  0  0  0  0
 13 33  1  0  0  0  0
 14 16  2  0  0  0  0
 14 18  1  0  0  0  0
 15 17  1  0  0  0  0
 17 20  2  0  0  0  0
 17 21  1  0  0  0  0
 18 19  2  0  0  0  0
 18 34  1  0  0  0  0
 19 22  1  0  0  0  0
 19 35  1  0  0  0  0
 20 23  1  0  0  0  0
 21 24  2  0  0  0  0
 21 36  1  0  0  0  0
 22 37  1  0  0  0  0
 23 38  1  0  0  0  0
 24 39  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
60159487

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
458

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
6

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccB7oQAAAAAAAAAAAAAAAAAAAWAAAAAsWLAAAAAAAFgB/gAAHwAIAAAADCjBnww98L8IEACqAzd3dACChC81kqAd2CE4dNiIaPLA3ZGUIQhghgLIyaYUAAAKAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(3-fluoro-4-pyridyl)-[4-(triazolo[4,5-b]pyridin-1-yl)-1-piperidyl]methanone

> <PUBCHEM_IUPAC_CAS_NAME>
(3-fluoro-4-pyridinyl)-[4-(1-triazolo[4,5-b]pyridinyl)-1-piperidinyl]methanone

> <PUBCHEM_IUPAC_NAME_MARKUP>
(3-fluoropyridin-4-yl)-[4-(triazolo[4,5-b]pyridin-1-yl)piperidin-1-yl]methanone

> <PUBCHEM_IUPAC_NAME>
(3-fluoropyridin-4-yl)-[4-(triazolo[4,5-b]pyridin-1-yl)piperidin-1-yl]methanone

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(3-fluoranylpyridin-4-yl)-[4-([1,2,3]triazolo[4,5-b]pyridin-1-yl)piperidin-1-yl]methanone

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(3-fluoro-4-pyridyl)-[4-(triazolo[4,5-b]pyridin-1-yl)piperidino]methanone

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C16H15FN6O/c17-13-10-18-7-3-12(13)16(24)22-8-4-11(5-9-22)23-14-2-1-6-19-15(14)20-21-23/h1-3,6-7,10-11H,4-5,8-9H2

> <PUBCHEM_IUPAC_INCHIKEY>
RMACMDHDTFNTDA-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
1

> <PUBCHEM_EXACT_MASS>
326.12913729

> <PUBCHEM_MOLECULAR_FORMULA>
C16H15FN6O

> <PUBCHEM_MOLECULAR_WEIGHT>
326.33

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1CN(CCC1N2C3=C(N=CC=C3)N=N2)C(=O)C4=C(C=NC=C4)F

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1CN(CCC1N2C3=C(N=CC=C3)N=N2)C(=O)C4=C(C=NC=C4)F

> <PUBCHEM_CACTVS_TPSA>
76.8

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
326.12913729

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
24

> <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>
14  16  8
14  18  8
17  20  8
17  21  8
18  19  8
19  22  8
20  23  8
21  24  8
4  14  8
4  5  8
5  6  8
6  16  8
7  16  8
7  22  8
8  23  8
8  24  8

$$$$