60159345
  -OEChem-05072417132D

 38 40  0     0  0  0  0  0  0999 V2000
    6.7619    1.6651    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7619   -0.0670    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.2990    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783   -0.0057    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.7619   -0.0670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2619   -0.9330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2619   -0.9330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2619    0.7990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2619    0.7990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783    1.6038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2619   -0.9330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7619   -1.7990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7619   -0.0670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.7990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.2010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7619   -1.7990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7619   -0.0670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2619   -0.9330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3445    0.1451    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6542    0.5436    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6793   -1.1451    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3695   -1.5436    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8709    2.1931    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7249   -0.6230    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9519   -1.4700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7988   -1.2430    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4519   -2.3360    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4519    0.4699    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.4190    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.8210    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    1.6090    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0719   -2.3360    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0719    0.4699    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -0.0110    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8819   -0.9330    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  2  0  0  0  0
  2  5  1  0  0  0  0
  2  8  1  0  0  0  0
  2 12  1  0  0  0  0
  3  4  1  0  0  0  0
  3 10  1  0  0  0  0
  3 16  1  0  0  0  0
  4  9  2  0  0  0  0
  5  6  1  0  0  0  0
  5 22  1  0  0  0  0
  5 23  1  0  0  0  0
  6  7  1  0  0  0  0
  6 24  1  0  0  0  0
  6 25  1  0  0  0  0
  7 13  2  0  0  0  0
  7 14  1  0  0  0  0
  8  9  1  0  0  0  0
  9 11  1  0  0  0  0
 10 11  2  0  0  0  0
 10 15  1  0  0  0  0
 11 26  1  0  0  0  0
 12 27  1  0  0  0  0
 12 28  1  0  0  0  0
 12 29  1  0  0  0  0
 13 18  1  0  0  0  0
 13 30  1  0  0  0  0
 14 19  2  0  0  0  0
 14 31  1  0  0  0  0
 15 17  2  0  0  0  0
 15 32  1  0  0  0  0
 16 20  2  0  0  0  0
 16 33  1  0  0  0  0
 17 20  1  0  0  0  0
 17 34  1  0  0  0  0
 18 21  2  0  0  0  0
 18 35  1  0  0  0  0
 19 21  1  0  0  0  0
 19 36  1  0  0  0  0
 20 37  1  0  0  0  0
 21 38  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
60159345

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
354

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
4

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7IAAAAAAAAAAAAAAAAAAAAWAAAAA8QAAAAAAAAFgB8AAAHgAIAAAADAjBngQ+wLMIEACqAzV3VACShCA3giAY2CG4ZNgIYPLA1dGUpQhgjgDIyYcciICOAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N-methyl-N-(2-phenylethyl)pyrazolo[1,5-a]pyridine-2-carboxamide

> <PUBCHEM_IUPAC_CAS_NAME>
N-methyl-N-(2-phenylethyl)-2-pyrazolo[1,5-a]pyridinecarboxamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>-methyl-<I>N</I>-(2-phenylethyl)pyrazolo[1,5-a]pyridine-2-carboxamide

> <PUBCHEM_IUPAC_NAME>
N-methyl-N-(2-phenylethyl)pyrazolo[1,5-a]pyridine-2-carboxamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N-methyl-N-(2-phenylethyl)pyrazolo[1,5-a]pyridine-2-carboxamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
N-methyl-N-phenethyl-pyrazolo[1,5-a]pyridine-2-carboxamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C17H17N3O/c1-19(12-10-14-7-3-2-4-8-14)17(21)16-13-15-9-5-6-11-20(15)18-16/h2-9,11,13H,10,12H2,1H3

> <PUBCHEM_IUPAC_INCHIKEY>
QLGFMMAMAMPWIK-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
2.8

> <PUBCHEM_EXACT_MASS>
279.137162174

> <PUBCHEM_MOLECULAR_FORMULA>
C17H17N3O

> <PUBCHEM_MOLECULAR_WEIGHT>
279.34

> <PUBCHEM_OPENEYE_CAN_SMILES>
CN(CCC1=CC=CC=C1)C(=O)C2=NN3C=CC=CC3=C2

> <PUBCHEM_OPENEYE_ISO_SMILES>
CN(CCC1=CC=CC=C1)C(=O)C2=NN3C=CC=CC3=C2

> <PUBCHEM_CACTVS_TPSA>
37.6

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
279.137162174

> <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  11  8
10  15  8
13  18  8
14  19  8
15  17  8
16  20  8
17  20  8
18  21  8
19  21  8
3  10  8
3  16  8
3  4  8
4  9  8
7  13  8
7  14  8
9  11  8

$$$$