69224316
  -OEChem-05221321022D

 50 54  0     0  0  0  0  0  0999 V2000
    2.8660    0.1497    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.1497    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8347   -2.4132    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8288   -2.4204    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3580    2.1844    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.3160   -0.2020    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3465   -0.8849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3580    0.1151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5350   -1.4591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1444   -1.4777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.6497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.6497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641    0.6289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0985   -1.1781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5590   -1.2416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.1497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1583   -3.1497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.1497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.6497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.6497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641    1.6705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8826   -1.9782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1822   -2.9322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8350   -1.8545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2700    0.0976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7890   -1.5549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0066   -0.5788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4876    1.0737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.6497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    3.1497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7998    0.3168    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3732   -0.6501    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.4703    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3441   -3.7412    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.7697    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7998    1.9826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2774   -1.8433    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7629   -3.3888    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7001   -2.4597    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2457   -1.9742    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5981   -0.3930    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0927    0.9388    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6224    1.6788    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8824    1.2085    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    1.1866    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    0.9597    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900    0.1128    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4860    3.1497    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    3.7697    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2460    3.1497    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 19  1  0  0  0  0
  1 29  1  0  0  0  0
  2 20  1  0  0  0  0
  2 30  1  0  0  0  0
  3  4  1  0  0  0  0
  3  9  1  0  0  0  0
  3 17  1  0  0  0  0
  4 10  2  0  0  0  0
  5 12  2  0  0  0  0
  5 21  1  0  0  0  0
  6 14  1  0  0  0  0
  6 25  2  0  0  0  0
  7  8  1  0  0  0  0
  7  9  2  0  0  0  0
  7 10  1  0  0  0  0
  8 11  2  0  0  0  0
  8 13  1  0  0  0  0
  9 15  1  0  0  0  0
 10 14  1  0  0  0  0
 11 12  1  0  0  0  0
 11 16  1  0  0  0  0
 12 18  1  0  0  0  0
 13 21  2  0  0  0  0
 13 31  1  0  0  0  0
 14 24  2  0  0  0  0
 15 22  2  0  0  0  0
 15 32  1  0  0  0  0
 16 19  2  0  0  0  0
 16 33  1  0  0  0  0
 17 23  2  0  0  0  0
 17 34  1  0  0  0  0
 18 20  2  0  0  0  0
 18 35  1  0  0  0  0
 19 20  1  0  0  0  0
 21 36  1  0  0  0  0
 22 23  1  0  0  0  0
 22 37  1  0  0  0  0
 23 38  1  0  0  0  0
 24 26  1  0  0  0  0
 24 39  1  0  0  0  0
 25 27  1  0  0  0  0
 25 28  1  0  0  0  0
 26 27  2  0  0  0  0
 26 40  1  0  0  0  0
 27 41  1  0  0  0  0
 28 42  1  0  0  0  0
 28 43  1  0  0  0  0
 28 44  1  0  0  0  0
 29 45  1  0  0  0  0
 29 46  1  0  0  0  0
 29 47  1  0  0  0  0
 30 48  1  0  0  0  0
 30 49  1  0  0  0  0
 30 50  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
69224316

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
577

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
4

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7sAAAAAAAAAAAAAAAAAAAAWAAAAA8WLEAAAAAAFix/gAAHgAIAAAADAzBngY+xvIIFACiAzRnRACSjCAxoiAY2CA+7JgNZuLE8duUtCpmyBnK6Aew0PMOoEABAgACQABAgAIEAASAAAAAAAAAAA==

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

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

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

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

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

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C24H20N4O2/c1-15-7-6-8-18(26-15)24-23(20-9-4-5-12-28(20)27-24)16-10-11-25-19-14-22(30-3)21(29-2)13-17(16)19/h4-14H,1-3H3

> <PUBCHEM_IUPAC_INCHIKEY>
SKEVAOXQBKPQSC-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
3.9

> <PUBCHEM_EXACT_MASS>
396.158626

> <PUBCHEM_MOLECULAR_FORMULA>
C24H20N4O2

> <PUBCHEM_MOLECULAR_WEIGHT>
396.4412

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1=CC=CC(=N1)C2=NN3C=CC=CC3=C2C4=C5C=C(C(=CC5=NC=C4)OC)OC

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1=CC=CC(=N1)C2=NN3C=CC=CC3=C2C4=C5C=C(C(=CC5=NC=C4)OC)OC

> <PUBCHEM_CACTVS_TPSA>
61.5

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
396.158626

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
30

> <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>
11  12  8
11  16  8
12  18  8
13  21  8
14  24  8
15  22  8
16  19  8
17  23  8
18  20  8
19  20  8
22  23  8
24  26  8
25  27  8
26  27  8
3  17  8
3  4  8
3  9  8
4  10  8
5  12  8
5  21  8
6  14  8
6  25  8
7  10  8
7  9  8
8  11  8
8  13  8
9  15  8

$$$$