69221797
  -OEChem-04192413062D

 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
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    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
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    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
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    7.7998   -1.9826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   10.2558   -1.9648    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
   10.6274   -0.7818    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.2460   -3.1497    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.4860   -3.1497    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  3  9  1  0  0  0  0
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  4 10  2  0  0  0  0
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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_MARKUP>
4-[2-(6-ethylpyridin-2-yl)pyrazolo[1,5-a]pyridin-3-yl]-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>
410.17427596

> <PUBCHEM_MOLECULAR_FORMULA>
C25H22N4O2

> <PUBCHEM_MOLECULAR_WEIGHT>
410.5

> <PUBCHEM_OPENEYE_CAN_SMILES>
CCC1=NC(=CC=C1)C2=NN3C=CC=CC3=C2C4=C5C=C(C(=CC5=NC=C4)OC)OC

> <PUBCHEM_OPENEYE_ISO_SMILES>
CCC1=NC(=CC=C1)C2=NN3C=CC=CC3=C2C4=C5C=C(C(=CC5=NC=C4)OC)OC

> <PUBCHEM_CACTVS_TPSA>
61.5

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
410.17427596

> <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>
-1

> <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

$$$$