70680248
  -OEChem-04232414502D

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    2.8680   -2.4115    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7617    1.8320    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1673   -0.1702    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2103   -2.1921    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981   -2.3874    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.7939   -1.3874    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5210    0.3679    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641   -0.8874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641   -1.8874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5320   -0.8874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2103   -0.5827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981   -0.3874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5320   -1.8874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6381   -0.3527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6381   -2.4220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5210   -3.1426    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.9082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.8666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4995    0.5741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8102    1.5246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2238    2.3346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8130    3.1426    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.9149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7635    2.8320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981    0.2326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6453    0.2672    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6453   -3.0420    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1069    0.8293    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9317   -3.3352    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7136   -3.7320    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1103   -2.9500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1963   -0.5545    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6038    2.3357    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6224    3.7326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3079   -1.3768    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4619   -1.6070    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6921   -2.4530    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2657    3.1955    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 17  1  0  0  0  0
  1 23  1  0  0  0  0
  2 20  1  0  0  0  0
  2 24  1  0  0  0  0
  3 19  2  0  0  0  0
  4  6  1  0  0  0  0
  4  9  1  0  0  0  0
  4 16  1  0  0  0  0
  5  9  1  0  0  0  0
  5 13  2  0  0  0  0
  6 11  2  0  0  0  0
  7 11  1  0  0  0  0
  7 19  1  0  0  0  0
  7 28  1  0  0  0  0
  8  9  2  0  0  0  0
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  8 12  1  0  0  0  0
 10 12  2  0  0  0  0
 10 13  1  0  0  0  0
 10 14  1  0  0  0  0
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 18 32  1  0  0  0  0
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 21 22  1  0  0  0  0
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 22 24  2  0  0  0  0
 22 34  1  0  0  0  0
 23 35  1  0  0  0  0
 23 36  1  0  0  0  0
 23 37  1  0  0  0  0
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M  END
> <PUBCHEM_COMPOUND_CID>
70680248

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
477

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccB7sAAAAAAAAAAAAAAAAAAAAWJAAAA8QAAAAAAAAFix/gAAHgAYAAAADAyhnwYz9v7IFECqA69y9AKSjCsloqAd2CH+bNiOLvLE/f+HvSj+zRvY6aeY1+MOIAAAAgACAABAAAAEAAQAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N-(7-methoxy-1-methyl-pyrazolo[3,4-b]quinolin-3-yl)furan-2-carboxamide

> <PUBCHEM_IUPAC_CAS_NAME>
N-(7-methoxy-1-methyl-3-pyrazolo[3,4-b]quinolinyl)-2-furancarboxamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>-(7-methoxy-1-methylpyrazolo[3,4-b]quinolin-3-yl)furan-2-carboxamide

> <PUBCHEM_IUPAC_NAME>
N-(7-methoxy-1-methylpyrazolo[3,4-b]quinolin-3-yl)furan-2-carboxamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N-(7-methoxy-1-methyl-pyrazolo[3,4-b]quinolin-3-yl)furan-2-carboxamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
N-(7-methoxy-1-methyl-pyrazolo[3,4-b]quinolin-3-yl)-2-furamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C17H14N4O3/c1-21-16-12(8-10-5-6-11(23-2)9-13(10)18-16)15(20-21)19-17(22)14-4-3-7-24-14/h3-9H,1-2H3,(H,19,20,22)

> <PUBCHEM_IUPAC_INCHIKEY>
NMSTWHPXQFRZIP-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
2.7

> <PUBCHEM_EXACT_MASS>
322.10659032

> <PUBCHEM_MOLECULAR_FORMULA>
C17H14N4O3

> <PUBCHEM_MOLECULAR_WEIGHT>
322.32

> <PUBCHEM_OPENEYE_CAN_SMILES>
CN1C2=C(C=C3C=CC(=CC3=N2)OC)C(=N1)NC(=O)C4=CC=CO4

> <PUBCHEM_OPENEYE_ISO_SMILES>
CN1C2=C(C=C3C=CC(=CC3=N2)OC)C(=N1)NC(=O)C4=CC=CO4

> <PUBCHEM_CACTVS_TPSA>
82.2

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
322.10659032

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
24

> <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  12  8
10  13  8
10  14  8
13  15  8
14  18  8
15  17  8
17  18  8
2  20  8
2  24  8
20  21  8
21  22  8
22  24  8
4  6  8
4  9  8
5  13  8
5  9  8
6  11  8
8  11  8
8  12  8
8  9  8

$$$$