665390
  -OEChem-05062423312D

 37 40  0     0  0  0  0  0  0999 V2000
    9.8938    1.8320    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2994   -0.1702    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3424   -2.1921    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5301   -2.3874    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.9260   -1.3874    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.6530    0.3679    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3961   -0.8874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3961   -1.8874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6641   -0.8874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6641   -1.8874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5301   -0.3874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3424   -0.5827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7702   -2.4220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7702   -0.3527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8641   -1.9082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8641   -0.8666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6530   -3.1426    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.4115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6315    0.5741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9422    1.5246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3558    2.3346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9450    3.1426    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8955    2.8320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5301    0.2326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7773   -3.0420    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7773    0.2672    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3284   -0.5545    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2390    0.8293    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0637   -3.3352    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8456   -3.7320    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2424   -2.9500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6879   -1.8758    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4643   -2.7236    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3121   -2.9473    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7358    2.3357    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7544    3.7326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3977    3.1955    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 20  1  0  0  0  0
  1 23  1  0  0  0  0
  2 19  2  0  0  0  0
  3  5  1  0  0  0  0
  3  8  1  0  0  0  0
  3 17  1  0  0  0  0
  4  8  1  0  0  0  0
  4 10  2  0  0  0  0
  5 12  2  0  0  0  0
  6 12  1  0  0  0  0
  6 19  1  0  0  0  0
  6 28  1  0  0  0  0
  7  8  2  0  0  0  0
  7 11  1  0  0  0  0
  7 12  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  2  0  0  0  0
  9 14  1  0  0  0  0
 10 13  1  0  0  0  0
 11 24  1  0  0  0  0
 13 15  2  0  0  0  0
 13 25  1  0  0  0  0
 14 16  2  0  0  0  0
 14 26  1  0  0  0  0
 15 16  1  0  0  0  0
 15 18  1  0  0  0  0
 16 27  1  0  0  0  0
 17 29  1  0  0  0  0
 17 30  1  0  0  0  0
 17 31  1  0  0  0  0
 18 32  1  0  0  0  0
 18 33  1  0  0  0  0
 18 34  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 21 35  1  0  0  0  0
 22 23  2  0  0  0  0
 22 36  1  0  0  0  0
 23 37  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
665390

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
460

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccB7sAAAAAAAAAAAAAAAAAAAAWJAAAA8QAAAAAAAAFix/gAAHgAYAAAADAyhnwYz9P7IFECqA69y9AKSjCsloqAd2CH+bNiOLvLE/f+HvSj8zRPY6aeYl8IOQAAAQAACAACAAACAAAQAAAAAAAAAAA==

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

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

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

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

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

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

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C17H14N4O2/c1-10-5-6-11-9-12-15(19-17(22)14-4-3-7-23-14)20-21(2)16(12)18-13(11)8-10/h3-9H,1-2H3,(H,19,20,22)

> <PUBCHEM_IUPAC_INCHIKEY>
KIUWXZQQDLBQQT-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
3.1

> <PUBCHEM_EXACT_MASS>
306.11167570

> <PUBCHEM_MOLECULAR_FORMULA>
C17H14N4O2

> <PUBCHEM_MOLECULAR_WEIGHT>
306.32

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1=CC2=NC3=C(C=C2C=C1)C(=NN3C)NC(=O)C4=CC=CO4

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1=CC2=NC3=C(C=C2C=C1)C(=NN3C)NC(=O)C4=CC=CO4

> <PUBCHEM_CACTVS_TPSA>
73

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
306.11167570

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
23

> <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>
1  20  8
1  23  8
10  13  8
13  15  8
14  16  8
15  16  8
20  21  8
21  22  8
22  23  8
3  5  8
3  8  8
4  10  8
4  8  8
5  12  8
7  11  8
7  12  8
7  8  8
9  10  8
9  11  8
9  14  8

$$$$