15338085
  -OEChem-04262419482D

 43 46  0     0  0  0  0  0  0999 V2000
   12.0687   -0.3740    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.2730   -2.1292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000   -0.3740    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0687   -0.3740    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.4809   -1.1830    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.5298    0.1260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4809    0.4350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5836    0.4307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7899    1.3861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5298   -0.8740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5836   -1.1787    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1208    2.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7680    1.5940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0000   -0.3740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0687   -0.3740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000    0.4920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000   -1.2400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5687    0.4920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5687   -1.2400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5687    0.4920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5687   -1.2400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000    0.4920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000   -1.2400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0687   -0.3740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.3740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8346    0.9977    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0462    0.7400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1834    1.2572    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5815    2.5441    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7059    2.5900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6600    1.7144    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8970    0.9876    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3745    1.7229    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6391    2.2004    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8100    1.0290    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8100   -1.7769    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2587    1.0290    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2587   -1.7769    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8787    1.0290    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8787   -1.7769    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1900    1.0290    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1900   -1.7769    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3800   -0.3740    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 24  1  0  0  0  0
  2 11  2  0  0  0  0
  3  8  1  0  0  0  0
  3 11  1  0  0  0  0
  3 14  1  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  4 15  1  0  0  0  0
  5 10  2  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  6 10  1  0  0  0  0
  7  9  1  0  0  0  0
  8 26  1  0  0  0  0
  8 27  1  0  0  0  0
  9 12  1  0  0  0  0
  9 13  1  0  0  0  0
  9 28  1  0  0  0  0
 10 11  1  0  0  0  0
 12 29  1  0  0  0  0
 12 30  1  0  0  0  0
 12 31  1  0  0  0  0
 13 32  1  0  0  0  0
 13 33  1  0  0  0  0
 13 34  1  0  0  0  0
 14 16  2  0  0  0  0
 14 17  1  0  0  0  0
 15 18  2  0  0  0  0
 15 19  1  0  0  0  0
 16 22  1  0  0  0  0
 16 35  1  0  0  0  0
 17 23  2  0  0  0  0
 17 36  1  0  0  0  0
 18 20  1  0  0  0  0
 18 37  1  0  0  0  0
 19 21  2  0  0  0  0
 19 38  1  0  0  0  0
 20 24  2  0  0  0  0
 20 39  1  0  0  0  0
 21 24  1  0  0  0  0
 21 40  1  0  0  0  0
 22 25  2  0  0  0  0
 22 41  1  0  0  0  0
 23 25  1  0  0  0  0
 23 42  1  0  0  0  0
 25 43  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
15338085

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
485

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7IQAAAAAAAAAAAAAAAAAAAWLAAAAwYAAAAAAWAAAB0AAAHwAIAAAADQjBngwywJMIAACqAyVyVACSBCAnAgAYmCG4ZNgIYHLA1dGUpQhgjgDIyQccCAAOAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
2-(4-fluorophenyl)-3-isopropyl-5-phenyl-4H-pyrrolo[3,4-c]pyrazol-6-one

> <PUBCHEM_IUPAC_CAS_NAME>
2-(4-fluorophenyl)-5-phenyl-3-propan-2-yl-4H-pyrrolo[3,4-c]pyrazol-6-one

> <PUBCHEM_IUPAC_NAME_MARKUP>
2-(4-fluorophenyl)-5-phenyl-3-propan-2-yl-4<I>H</I>-pyrrolo[3,4-c]pyrazol-6-one

> <PUBCHEM_IUPAC_NAME>
2-(4-fluorophenyl)-5-phenyl-3-propan-2-yl-4H-pyrrolo[3,4-c]pyrazol-6-one

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2-(4-fluorophenyl)-5-phenyl-3-propan-2-yl-4H-pyrrolo[3,4-c]pyrazol-6-one

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2-(4-fluorophenyl)-3-isopropyl-5-phenyl-4H-pyrrolo[3,4-c]pyrazol-6-one

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C20H18FN3O/c1-13(2)19-17-12-23(15-6-4-3-5-7-15)20(25)18(17)22-24(19)16-10-8-14(21)9-11-16/h3-11,13H,12H2,1-2H3

> <PUBCHEM_IUPAC_INCHIKEY>
LHCCIUMOAWWGDT-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
4.1

> <PUBCHEM_EXACT_MASS>
335.14339037

> <PUBCHEM_MOLECULAR_FORMULA>
C20H18FN3O

> <PUBCHEM_MOLECULAR_WEIGHT>
335.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC(C)C1=C2CN(C(=O)C2=NN1C3=CC=C(C=C3)F)C4=CC=CC=C4

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC(C)C1=C2CN(C(=O)C2=NN1C3=CC=C(C=C3)F)C4=CC=CC=C4

> <PUBCHEM_CACTVS_TPSA>
38.1

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
335.14339037

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
25

> <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>
14  16  8
14  17  8
15  18  8
15  19  8
16  22  8
17  23  8
18  20  8
19  21  8
20  24  8
21  24  8
22  25  8
23  25  8
4  5  8
4  7  8
5  10  8
6  10  8
6  7  8

$$$$