5719
  -OEChem-05201300072D

 38 40  0     0  0  0  0  0  0999 V2000
    3.7320    4.1029    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.6029    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.8971    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783   -0.5924    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.3971    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2996   -4.1029    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.6029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.1029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.3971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.1029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    2.1029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.1029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.6029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.8971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.1029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.8971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    3.6029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    2.6029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783   -2.2018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.8971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2619   -1.3971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    4.1029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9889   -3.1524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.7929    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0656    1.6279    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8626    1.6279    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    0.7929    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    3.2229    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    2.4129    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -0.5871    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6401    2.0660    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    2.9129    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0201    3.1398    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -2.2071    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8819   -1.3971    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7741    3.5660    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    4.4129    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1541    4.6398    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 17  2  0  0  0  0
  2  8  1  0  0  0  0
  2 11  1  0  0  0  0
  2 17  1  0  0  0  0
  3  4  1  0  0  0  0
  3  9  1  0  0  0  0
  3 14  1  0  0  0  0
  4 21  2  0  0  0  0
  5 14  1  0  0  0  0
  5 20  2  0  0  0  0
  6 23  3  0  0  0  0
  7  9  1  0  0  0  0
  7 10  2  0  0  0  0
  7 12  1  0  0  0  0
  8 10  1  0  0  0  0
  8 13  2  0  0  0  0
  9 16  2  0  0  0  0
 10 24  1  0  0  0  0
 11 18  1  0  0  0  0
 11 25  1  0  0  0  0
 11 26  1  0  0  0  0
 12 15  2  0  0  0  0
 12 27  1  0  0  0  0
 13 15  1  0  0  0  0
 13 28  1  0  0  0  0
 14 19  2  0  0  0  0
 15 29  1  0  0  0  0
 16 20  1  0  0  0  0
 16 30  1  0  0  0  0
 17 22  1  0  0  0  0
 18 31  1  0  0  0  0
 18 32  1  0  0  0  0
 18 33  1  0  0  0  0
 19 21  1  0  0  0  0
 19 23  1  0  0  0  0
 20 34  1  0  0  0  0
 21 35  1  0  0  0  0
 22 36  1  0  0  0  0
 22 37  1  0  0  0  0
 22 38  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
5719

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
487

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccB7oAAAAAAAAAAAAAAAAAAAAWAAAAA8QAAAAAAAAFgB8AAAHgAIAAAADAjBnwQ/8J8IEAC6Bzd3dACyhCsxgqAd2CA4ZJiIqOLA2dGEpAhojgLIyCcQgIAOAAAAQAAAAAAAAACAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N-[3-(3-cyanopyrazolo[1,5-a]pyrimidin-7-yl)phenyl]-N-ethyl-acetamide

> <PUBCHEM_IUPAC_CAS_NAME>
N-[3-(3-cyano-7-pyrazolo[1,5-a]pyrimidinyl)phenyl]-N-ethylacetamide

> <PUBCHEM_IUPAC_NAME>
N-[3-(3-cyanopyrazolo[1,5-a]pyrimidin-7-yl)phenyl]-N-ethylacetamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N-[3-(3-cyanopyrazolo[1,5-a]pyrimidin-7-yl)phenyl]-N-ethyl-ethanamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
N-[3-(3-cyanopyrazolo[1,5-a]pyrimidin-7-yl)phenyl]-N-ethyl-acetamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C17H15N5O/c1-3-21(12(2)23)15-6-4-5-13(9-15)16-7-8-19-17-14(10-18)11-20-22(16)17/h4-9,11H,3H2,1-2H3

> <PUBCHEM_IUPAC_INCHIKEY>
HUNXMJYCHXQEGX-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3>
1

> <PUBCHEM_EXACT_MASS>
305.12766

> <PUBCHEM_MOLECULAR_FORMULA>
C17H15N5O

> <PUBCHEM_MOLECULAR_WEIGHT>
305.3339

> <PUBCHEM_OPENEYE_CAN_SMILES>
CCN(C1=CC=CC(=C1)C2=CC=NC3=C(C=NN23)C#N)C(=O)C

> <PUBCHEM_OPENEYE_ISO_SMILES>
CCN(C1=CC=CC(=C1)C2=CC=NC3=C(C=NN23)C#N)C(=O)C

> <PUBCHEM_CACTVS_TPSA>
74.3

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
305.12766

> <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>
12  15  8
13  15  8
14  19  8
16  20  8
19  21  8
3  14  8
3  4  8
3  9  8
4  21  8
5  14  8
5  20  8
7  10  8
7  12  8
8  10  8
8  13  8
9  16  8

$$$$