69221227
  -OEChem-05102407352D

 46 50  0     0  0  0  0  0  0999 V2000
    2.0000   -2.1513    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0361    2.4070    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0301    2.4027    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5301   -2.1271    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0297    1.8136    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5301    0.8729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7254    1.4565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5301   -0.1271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3349    1.4565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6641   -0.6271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6641   -1.6271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2854    1.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7469    1.2502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3961   -0.6271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3682    3.1513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7702   -0.0925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0790    1.9946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7702   -2.1618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3897    2.9451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3961   -1.6271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8641   -0.6063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8641   -1.6480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4916    0.1673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9802    1.5030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4421   -0.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1864    0.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7245    2.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0038   -3.1513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5543    0.6609    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9331   -0.3171    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5608    3.7406    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7773    0.5275    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4724    1.8667    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7773   -2.7818    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9756    3.4065    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9331   -1.9371    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3284   -0.2943    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0301   -0.2468    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5700   -0.7500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7757    0.3319    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1386    1.7094    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1860    2.5849    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3104    2.6323    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3839   -3.1537    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0062   -3.7713    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6238   -3.1489    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 22  1  0  0  0  0
  1 28  1  0  0  0  0
  2  3  1  0  0  0  0
  2  7  1  0  0  0  0
  2 15  1  0  0  0  0
  3  9  2  0  0  0  0
  4 11  2  0  0  0  0
  4 20  1  0  0  0  0
  5 12  1  0  0  0  0
  5 24  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 13  1  0  0  0  0
  8 10  2  0  0  0  0
  8 14  1  0  0  0  0
  9 12  1  0  0  0  0
 10 11  1  0  0  0  0
 10 16  1  0  0  0  0
 11 18  1  0  0  0  0
 12 23  2  0  0  0  0
 13 17  2  0  0  0  0
 13 29  1  0  0  0  0
 14 20  2  0  0  0  0
 14 30  1  0  0  0  0
 15 19  2  0  0  0  0
 15 31  1  0  0  0  0
 16 21  2  0  0  0  0
 16 32  1  0  0  0  0
 17 19  1  0  0  0  0
 17 33  1  0  0  0  0
 18 22  2  0  0  0  0
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 19 35  1  0  0  0  0
 20 36  1  0  0  0  0
 21 22  1  0  0  0  0
 21 37  1  0  0  0  0
 23 25  1  0  0  0  0
 23 38  1  0  0  0  0
 24 26  1  0  0  0  0
 24 27  1  0  0  0  0
 25 26  2  0  0  0  0
 25 39  1  0  0  0  0
 26 40  1  0  0  0  0
 27 41  1  0  0  0  0
 27 42  1  0  0  0  0
 27 43  1  0  0  0  0
 28 44  1  0  0  0  0
 28 45  1  0  0  0  0
 28 46  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
69221227

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
531

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7oAAAAAAAAAAAAAAAAAAAAWAAAAA8WLEAAAAAAFix/gAAHgAIAAAADAzBngY+xvIIFACiAzRnRACSjCAxoiAY2CA+bJgMZuLE8duUtChmyBnI6AeQ0PMOoAAAAgACAABAAAAEAAQAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
7-methoxy-4-[2-(6-methyl-2-pyridyl)pyrazolo[1,5-a]pyridin-3-yl]quinoline

> <PUBCHEM_IUPAC_CAS_NAME>
7-methoxy-4-[2-(6-methyl-2-pyridinyl)-3-pyrazolo[1,5-a]pyridinyl]quinoline

> <PUBCHEM_IUPAC_NAME_MARKUP>
7-methoxy-4-[2-(6-methylpyridin-2-yl)pyrazolo[1,5-a]pyridin-3-yl]quinoline

> <PUBCHEM_IUPAC_NAME>
7-methoxy-4-[2-(6-methylpyridin-2-yl)pyrazolo[1,5-a]pyridin-3-yl]quinoline

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
7-methoxy-4-[2-(6-methylpyridin-2-yl)pyrazolo[1,5-a]pyridin-3-yl]quinoline

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
7-methoxy-4-[2-(6-methyl-2-pyridyl)pyrazolo[1,5-a]pyridin-3-yl]quinoline

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C23H18N4O/c1-15-6-5-7-19(25-15)23-22(21-8-3-4-13-27(21)26-23)18-11-12-24-20-14-16(28-2)9-10-17(18)20/h3-14H,1-2H3

> <PUBCHEM_IUPAC_INCHIKEY>
VBUCDRYPPJBIGQ-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
4

> <PUBCHEM_EXACT_MASS>
366.14806121

> <PUBCHEM_MOLECULAR_FORMULA>
C23H18N4O

> <PUBCHEM_MOLECULAR_WEIGHT>
366.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1=NC(=CC=C1)C2=NN3C=CC=CC3=C2C4=C5C=CC(=CC5=NC=C4)OC

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1=NC(=CC=C1)C2=NN3C=CC=CC3=C2C4=C5C=CC(=CC5=NC=C4)OC

> <PUBCHEM_CACTVS_TPSA>
52.3

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
366.14806121

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
28

> <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  16  8
11  18  8
12  23  8
13  17  8
14  20  8
15  19  8
16  21  8
17  19  8
18  22  8
2  15  8
2  3  8
2  7  8
21  22  8
23  25  8
24  26  8
25  26  8
3  9  8
4  11  8
4  20  8
5  12  8
5  24  8
6  7  8
6  9  8
7  13  8
8  10  8
8  14  8

$$$$