52012102
  -OEChem-05062408432D

 35 37  0     0  0  0  0  0  0999 V2000
   12.2619   -0.9330    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.7619    1.6651    0.0000 O   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
    6.7619   -0.0670    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
    8.2619   -0.9330    0.0000 C   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
    9.2619   -0.9330    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
    5.2619    0.7990    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    0.7990    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
    9.7619   -1.7990    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
    2.0000    0.2990    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
   10.7619   -1.7990    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
    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
    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
    6.4519   -0.6039    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
    9.4519    0.4699    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
    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
    1.4631   -0.0110    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
   11.0719   -2.3360    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 21  1  0  0  0  0
  2 12  2  0  0  0  0
  3  5  1  0  0  0  0
  3  9  1  0  0  0  0
  3 16  1  0  0  0  0
  4  7  1  0  0  0  0
  4 12  1  0  0  0  0
  4 26  1  0  0  0  0
  5 10  2  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6 22  1  0  0  0  0
  6 23  1  0  0  0  0
  7 24  1  0  0  0  0
  7 25  1  0  0  0  0
  8 13  2  0  0  0  0
  8 14  1  0  0  0  0
  9 11  2  0  0  0  0
  9 15  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 11 27  1  0  0  0  0
 13 19  1  0  0  0  0
 13 28  1  0  0  0  0
 14 20  2  0  0  0  0
 14 29  1  0  0  0  0
 15 17  2  0  0  0  0
 15 30  1  0  0  0  0
 16 18  2  0  0  0  0
 16 31  1  0  0  0  0
 17 18  1  0  0  0  0
 17 32  1  0  0  0  0
 18 33  1  0  0  0  0
 19 21  2  0  0  0  0
 19 34  1  0  0  0  0
 20 21  1  0  0  0  0
 20 35  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
52012102

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
357

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
4

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccB7IQAAAAAAAAAAAAAAAAAAAWAAAAA8QAAAAAAAAFgB8AAAHwAYAAAADAjBngw8wLLIEACqAzV3VACShCA3giAY2KG4ZNgIYPLA1dGUpQhgngDIyYcciICOAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N-[2-(4-fluorophenyl)ethyl]pyrazolo[1,5-a]pyridine-2-carboxamide

> <PUBCHEM_IUPAC_CAS_NAME>
N-[2-(4-fluorophenyl)ethyl]-2-pyrazolo[1,5-a]pyridinecarboxamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>-[2-(4-fluorophenyl)ethyl]pyrazolo[1,5-a]pyridine-2-carboxamide

> <PUBCHEM_IUPAC_NAME>
N-[2-(4-fluorophenyl)ethyl]pyrazolo[1,5-a]pyridine-2-carboxamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N-[2-(4-fluorophenyl)ethyl]pyrazolo[1,5-a]pyridine-2-carboxamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
N-[2-(4-fluorophenyl)ethyl]pyrazolo[1,5-a]pyridine-2-carboxamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C16H14FN3O/c17-13-6-4-12(5-7-13)8-9-18-16(21)15-11-14-3-1-2-10-20(14)19-15/h1-7,10-11H,8-9H2,(H,18,21)

> <PUBCHEM_IUPAC_INCHIKEY>
DIRZWIQMMNDFDB-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
2.7

> <PUBCHEM_EXACT_MASS>
283.11209024

> <PUBCHEM_MOLECULAR_FORMULA>
C16H14FN3O

> <PUBCHEM_MOLECULAR_WEIGHT>
283.30

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC2=CC(=NN2C=C1)C(=O)NCCC3=CC=C(C=C3)F

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC2=CC(=NN2C=C1)C(=O)NCCC3=CC=C(C=C3)F

> <PUBCHEM_CACTVS_TPSA>
46.4

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
283.11209024

> <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
13  19  8
14  20  8
15  17  8
16  18  8
17  18  8
19  21  8
20  21  8
3  16  8
3  5  8
3  9  8
5  10  8
8  13  8
8  14  8
9  11  8
9  15  8

$$$$