216456
  -OEChem-04252411372D

 34 37  0     0  0  0  0  0  0999 V2000
    4.3211    2.9404    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.0591    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783   -0.3638    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.4409    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2781    3.3529    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.5591    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.9409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.5591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783    1.2456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.5591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2619    0.4409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.0591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9889    2.1962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.9409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.0591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.0591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9674    2.4024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6353    1.6581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.0591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.0591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6138    1.8643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2566    3.5591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9244    2.8148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8819    0.4409    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -0.3691    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    1.2509    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -1.7491    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -1.7491    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4427    1.0687    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -3.3691    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -3.3691    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0279    1.4028    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4492    4.1484    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5311    2.9427    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  2  0  0  0  0
  2  3  1  0  0  0  0
  2  7  1  0  0  0  0
  2  8  1  0  0  0  0
  3 11  2  0  0  0  0
  4  7  1  0  0  0  0
  4 14  2  0  0  0  0
  5 17  1  0  0  0  0
  5 22  2  0  0  0  0
  6 19  2  0  0  0  0
  6 20  1  0  0  0  0
  7  9  2  0  0  0  0
  8 10  1  0  0  0  0
  8 12  2  0  0  0  0
  9 11  1  0  0  0  0
  9 13  1  0  0  0  0
 10 15  2  0  0  0  0
 10 16  1  0  0  0  0
 11 24  1  0  0  0  0
 12 14  1  0  0  0  0
 12 25  1  0  0  0  0
 13 17  1  0  0  0  0
 14 26  1  0  0  0  0
 15 19  1  0  0  0  0
 15 27  1  0  0  0  0
 16 20  2  0  0  0  0
 16 28  1  0  0  0  0
 17 18  2  0  0  0  0
 18 21  1  0  0  0  0
 18 29  1  0  0  0  0
 19 30  1  0  0  0  0
 20 31  1  0  0  0  0
 21 23  2  0  0  0  0
 21 32  1  0  0  0  0
 22 23  1  0  0  0  0
 22 33  1  0  0  0  0
 23 34  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
216456

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
425

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccB7oAAAAAAAAAAAAAAAAAAAAWAAAAAsWLAAAAAAAFgB/gAAHgAIAAAADAzBnwQ9sJ4IEACqA7Z3ZACShCs3gqAd2CG4ZNiIKPrA3fGEpYhoiALIyecYiMAOAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
2-pyridyl-[7-(4-pyridyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone

> <PUBCHEM_IUPAC_CAS_NAME>
2-pyridinyl-(7-pyridin-4-yl-3-pyrazolo[1,5-a]pyrimidinyl)methanone

> <PUBCHEM_IUPAC_NAME_MARKUP>
pyridin-2-yl-(7-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-3-yl)methanone

> <PUBCHEM_IUPAC_NAME>
pyridin-2-yl-(7-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-3-yl)methanone

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
pyridin-2-yl-(7-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-3-yl)methanone

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2-pyridyl-[7-(4-pyridyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C17H11N5O/c23-16(14-3-1-2-7-19-14)13-11-21-22-15(6-10-20-17(13)22)12-4-8-18-9-5-12/h1-11H

> <PUBCHEM_IUPAC_INCHIKEY>
OQJFBUOFGHPMSR-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
1.5

> <PUBCHEM_EXACT_MASS>
301.09635999

> <PUBCHEM_MOLECULAR_FORMULA>
C17H11N5O

> <PUBCHEM_MOLECULAR_WEIGHT>
301.30

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC=NC(=C1)C(=O)C2=C3N=CC=C(N3N=C2)C4=CC=NC=C4

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC=NC(=C1)C(=O)C2=C3N=CC=C(N3N=C2)C4=CC=NC=C4

> <PUBCHEM_CACTVS_TPSA>
73

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
301.09635999

> <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>
10  15  8
10  16  8
12  14  8
15  19  8
16  20  8
17  18  8
18  21  8
2  3  8
2  7  8
2  8  8
21  23  8
22  23  8
3  11  8
4  14  8
4  7  8
5  17  8
5  22  8
6  19  8
6  20  8
7  9  8
8  12  8
9  11  8

$$$$