69223258
  -OEChem-05052412162D

 45 48  0     0  0  0  0  0  0999 V2000
    7.2566    1.3087    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9209    2.7973    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.3095    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783   -2.6143    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7619   -2.6756    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783   -1.0048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.3095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2619   -1.8095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9889   -0.0543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2619   -1.8095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.8095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9674    0.1519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3211    0.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.8095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2781    1.1025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.3095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.3095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6318    1.6405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6103    1.8468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7619   -0.9435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7619   -2.6756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7619   -0.9435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2619   -1.8095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2619   -3.5416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5673    2.2592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2531    3.5416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.1895    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3815   -0.3095    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7144    0.5622    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.4295    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -0.9995    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -2.6195    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2177    2.1020    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4519   -0.4066    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0719   -0.4066    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8819   -1.8095    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7249   -3.8516    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5719   -4.0785    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7988   -3.2316    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1566    2.0666    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7599    2.8485    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9780    2.4518    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7145    3.9556    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8390    4.0030    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7916    3.1275    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 15  1  0  0  0  0
  1 25  1  0  0  0  0
  2 19  1  0  0  0  0
  2 26  1  0  0  0  0
  3  4  1  0  0  0  0
  3  7  1  0  0  0  0
  3 14  1  0  0  0  0
  4  8  2  0  0  0  0
  5 10  1  0  0  0  0
  5 21  2  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  6  9  1  0  0  0  0
  7 11  1  0  0  0  0
  8 10  1  0  0  0  0
  9 12  2  0  0  0  0
  9 13  1  0  0  0  0
 10 20  2  0  0  0  0
 11 16  2  0  0  0  0
 11 27  1  0  0  0  0
 12 15  1  0  0  0  0
 12 28  1  0  0  0  0
 13 18  2  0  0  0  0
 13 29  1  0  0  0  0
 14 17  2  0  0  0  0
 14 30  1  0  0  0  0
 15 19  2  0  0  0  0
 16 17  1  0  0  0  0
 16 31  1  0  0  0  0
 17 32  1  0  0  0  0
 18 19  1  0  0  0  0
 18 33  1  0  0  0  0
 20 22  1  0  0  0  0
 20 34  1  0  0  0  0
 21 23  1  0  0  0  0
 21 24  1  0  0  0  0
 22 23  2  0  0  0  0
 22 35  1  0  0  0  0
 23 36  1  0  0  0  0
 24 37  1  0  0  0  0
 24 38  1  0  0  0  0
 24 39  1  0  0  0  0
 25 40  1  0  0  0  0
 25 41  1  0  0  0  0
 25 42  1  0  0  0  0
 26 43  1  0  0  0  0
 26 44  1  0  0  0  0
 26 45  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
69223258

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
463

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
4

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7MAAAAAAAAAAAAAAAAAAAAWAAAAA8WIAAAAAAAFgB/AAAHgAIAAAADAzBngY+xrIIFACiAzRnRACSjCAxoiAY2CA+7JgNZuLE8duUtCpkyBHK6AeQ0PMOoAABAAAAQABAAAIAAACAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
3-(3,4-dimethoxyphenyl)-2-(6-methyl-2-pyridyl)pyrazolo[1,5-a]pyridine

> <PUBCHEM_IUPAC_CAS_NAME>
3-(3,4-dimethoxyphenyl)-2-(6-methyl-2-pyridinyl)pyrazolo[1,5-a]pyridine

> <PUBCHEM_IUPAC_NAME_MARKUP>
3-(3,4-dimethoxyphenyl)-2-(6-methylpyridin-2-yl)pyrazolo[1,5-a]pyridine

> <PUBCHEM_IUPAC_NAME>
3-(3,4-dimethoxyphenyl)-2-(6-methylpyridin-2-yl)pyrazolo[1,5-a]pyridine

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
3-(3,4-dimethoxyphenyl)-2-(6-methylpyridin-2-yl)pyrazolo[1,5-a]pyridine

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
3-(3,4-dimethoxyphenyl)-2-(6-methyl-2-pyridyl)pyrazolo[1,5-a]pyridine

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C21H19N3O2/c1-14-7-6-8-16(22-14)21-20(17-9-4-5-12-24(17)23-21)15-10-11-18(25-2)19(13-15)26-3/h4-13H,1-3H3

> <PUBCHEM_IUPAC_INCHIKEY>
OVDGNWZZQORLSD-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
3.7

> <PUBCHEM_EXACT_MASS>
345.147726857

> <PUBCHEM_MOLECULAR_FORMULA>
C21H19N3O2

> <PUBCHEM_MOLECULAR_WEIGHT>
345.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1=NC(=CC=C1)C2=NN3C=CC=CC3=C2C4=CC(=C(C=C4)OC)OC

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1=NC(=CC=C1)C2=NN3C=CC=CC3=C2C4=CC(=C(C=C4)OC)OC

> <PUBCHEM_CACTVS_TPSA>
48.6

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
345.147726857

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
26

> <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  20  8
11  16  8
12  15  8
13  18  8
14  17  8
15  19  8
16  17  8
18  19  8
20  22  8
21  23  8
22  23  8
3  14  8
3  4  8
3  7  8
4  8  8
5  10  8
5  21  8
6  7  8
6  8  8
7  11  8
9  12  8
9  13  8

$$$$