69221797
  -OEChem-06191316442D

 53 57  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
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    7.2641    0.6289    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
    3.8826   -1.9782    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
    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
    9.4876    1.0737    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
   10.4416    1.3733    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
    3.2774   -1.8433    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
    3.7629   -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
    9.4073    1.6884    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8682    1.1014    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
   10.6274    0.7818    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0331    1.5591    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2558    1.9648    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 30  1  0  0  0  0
  2 21  1  0  0  0  0
  2 31  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 22  1  0  0  0  0
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  8 11  2  0  0  0  0
  8 14  1  0  0  0  0
  9 15  1  0  0  0  0
 10 13  1  0  0  0  0
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 14 22  2  0  0  0  0
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 19 21  1  0  0  0  0
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 23 39  1  0  0  0  0
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 25 28  1  0  0  0  0
 26 29  1  0  0  0  0
 26 41  1  0  0  0  0
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 29 47  1  0  0  0  0
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 31 51  1  0  0  0  0
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 31 53  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
69221797

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
592

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
5

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

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

> <PUBCHEM_IUPAC_CAS_NAME>
4-[2-(6-ethyl-2-pyridinyl)-3-pyrazolo[1,5-a]pyridinyl]-6,7-dimethoxyquinoline

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

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

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

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C25H22N4O2/c1-4-16-8-7-9-19(27-16)25-24(21-10-5-6-13-29(21)28-25)17-11-12-26-20-15-23(31-3)22(30-2)14-18(17)20/h5-15H,4H2,1-3H3

> <PUBCHEM_IUPAC_INCHIKEY>
MGXNHRDELYTDKK-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
4.4

> <PUBCHEM_EXACT_MASS>
410.174276

> <PUBCHEM_MOLECULAR_FORMULA>
C25H22N4O2

> <PUBCHEM_MOLECULAR_WEIGHT>
410.46778

> <PUBCHEM_OPENEYE_CAN_SMILES>
CCC1=CC=CC(=N1)C2=NN3C=CC=CC3=C2C4=C5C=C(C(=CC5=NC=C4)OC)OC

> <PUBCHEM_OPENEYE_ISO_SMILES>
CCC1=CC=CC(=N1)C2=NN3C=CC=CC3=C2C4=C5C=C(C(=CC5=NC=C4)OC)OC

> <PUBCHEM_CACTVS_TPSA>
61.5

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
410.174276

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
31

> <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>
2

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
11  12  8
11  16  8
12  18  8
13  24  8
14  22  8
15  20  8
16  19  8
17  23  8
18  21  8
19  21  8
20  23  8
24  27  8
25  28  8
27  28  8
3  17  8
3  4  8
3  9  8
4  10  8
5  12  8
5  22  8
6  13  8
6  25  8
7  10  8
7  9  8
8  11  8
8  14  8
9  15  8

$$$$