5309500
  -OEChem-04252411182D

 34 36  0     0  0  0  0  0  0999 V2000
    4.3211   -0.1513    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2746    2.4941    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.1508    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9674   -0.6893    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783   -3.4556    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.1508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783   -1.8461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9889   -0.8956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2781    0.2612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.6508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2619   -2.6508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.6508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6103    1.0055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9209    1.9560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.1508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.1508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2566    0.4674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8994    2.1622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5673    1.4179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2531    2.7003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5637    3.6508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.0308    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8819   -2.6508    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3815   -1.1508    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -4.2708    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0036    0.8776    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -1.8408    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -3.4608    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6707    0.0059    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0920    2.7515    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1739    1.5458    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1531    3.4582    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7564    4.2401    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9744    3.8434    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  2  0  0  0  0
  2 20  2  0  0  0  0
  3  5  1  0  0  0  0
  3  6  1  0  0  0  0
  3 12  1  0  0  0  0
  4  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 24  1  0  0  0  0
  5 11  2  0  0  0  0
  6  7  2  0  0  0  0
  6 10  1  0  0  0  0
  7  8  1  0  0  0  0
  7 11  1  0  0  0  0
  9 13  1  0  0  0  0
  9 17  2  0  0  0  0
 10 15  2  0  0  0  0
 10 22  1  0  0  0  0
 11 23  1  0  0  0  0
 12 16  2  0  0  0  0
 12 25  1  0  0  0  0
 13 14  2  0  0  0  0
 13 26  1  0  0  0  0
 14 18  1  0  0  0  0
 14 20  1  0  0  0  0
 15 16  1  0  0  0  0
 15 27  1  0  0  0  0
 16 28  1  0  0  0  0
 17 19  1  0  0  0  0
 17 29  1  0  0  0  0
 18 19  2  0  0  0  0
 18 30  1  0  0  0  0
 19 31  1  0  0  0  0
 20 21  1  0  0  0  0
 21 32  1  0  0  0  0
 21 33  1  0  0  0  0
 21 34  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
5309500

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
412

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccB7MAAAAAAAAAAAAAAAAAAAAWAAAAA8QAAAAAAAAFgB8AAAHgAYAAAADAzBngQ+wLLIEACqA7V3VACShCA1giAY2CE4ZNgIIPrA1dGEpYhgnADIyccciMCOAAAAQAAAAAAAAACAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N-(3-acetylphenyl)pyrazolo[1,5-a]pyridine-3-carboxamide

> <PUBCHEM_IUPAC_CAS_NAME>
N-(3-acetylphenyl)-3-pyrazolo[1,5-a]pyridinecarboxamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>-(3-acetylphenyl)pyrazolo[1,5-a]pyridine-3-carboxamide

> <PUBCHEM_IUPAC_NAME>
N-(3-acetylphenyl)pyrazolo[1,5-a]pyridine-3-carboxamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N-(3-ethanoylphenyl)pyrazolo[1,5-a]pyridine-3-carboxamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
N-(3-acetylphenyl)pyrazolo[1,5-a]pyridine-3-carboxamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C16H13N3O2/c1-11(20)12-5-4-6-13(9-12)18-16(21)14-10-17-19-8-3-2-7-15(14)19/h2-10H,1H3,(H,18,21)

> <PUBCHEM_IUPAC_INCHIKEY>
YPNWFDZOANAVFB-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
1.6

> <PUBCHEM_EXACT_MASS>
279.100776666

> <PUBCHEM_MOLECULAR_FORMULA>
C16H13N3O2

> <PUBCHEM_MOLECULAR_WEIGHT>
279.29

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC(=O)C1=CC(=CC=C1)NC(=O)C2=C3C=CC=CN3N=C2

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC(=O)C1=CC(=CC=C1)NC(=O)C2=C3C=CC=CN3N=C2

> <PUBCHEM_CACTVS_TPSA>
63.5

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
279.100776666

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
21

> <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  15  8
12  16  8
13  14  8
14  18  8
15  16  8
17  19  8
18  19  8
3  12  8
3  5  8
3  6  8
5  11  8
6  10  8
6  7  8
7  11  8
9  13  8
9  17  8

$$$$