60006798
  -OEChem-04192417372D

 45 49  0     0  0  0  0  0  0999 V2000
   10.1279   -2.5617    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.8299    1.6327    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1871   -0.0621    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4763    1.0946    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -3.0617    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5443   -3.3664    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1406    2.5832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8849    3.2510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.4978    0.8884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.1279   -2.5617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8335   -0.6002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1441    0.3503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.5617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1279   -2.5617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8660   -3.0617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.0617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6279   -1.6957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6279   -3.4277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.5617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6279   -1.6957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6279   -3.4277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1279   -2.5617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6600    2.2446    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3728    2.8685    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1769    3.7980    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0217    4.1755    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3147    3.5411    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2233    1.5048    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2475   -1.0617    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    7.7508    0.4781    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -4.1817    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.6900   -3.0248    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -3.8717    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -4.0986    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9379   -1.1587    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9379   -3.9647    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 27  1  0  0  0  0
  2  7  1  0  0  0  0
  2 10  1  0  0  0  0
  2 33  1  0  0  0  0
  3 10  1  0  0  0  0
  3 12  2  0  0  0  0
  4 10  2  0  0  0  0
  4 16  1  0  0  0  0
  5  6  1  0  0  0  0
  5 13  1  0  0  0  0
  5 19  1  0  0  0  0
  6 14  2  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
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  8  9  1  0  0  0  0
  8 29  1  0  0  0  0
  8 30  1  0  0  0  0
  9 31  1  0  0  0  0
  9 32  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
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 14 18  1  0  0  0  0
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 22 25  1  0  0  0  0
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 26 27  1  0  0  0  0
 26 45  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
60006798

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
507

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
4

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7gQAAAAAAAAAAAAAAGAAAAWAAAAA8WIAAAAAAAFgB/AAAHQAYAAAADCjBHgw/0LbIEACiAzRnZACShCkxgqAZ2KA4ZJiIKOLA2dGEpAhomALIyCcQgMAOAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N-cyclopropyl-4-[2-(4-fluorophenyl)-6-methyl-pyrazolo[1,5-a]pyridin-3-yl]pyrimidin-2-amine

> <PUBCHEM_IUPAC_CAS_NAME>
N-cyclopropyl-4-[2-(4-fluorophenyl)-6-methyl-3-pyrazolo[1,5-a]pyridinyl]-2-pyrimidinamine

> <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>-cyclopropyl-4-[2-(4-fluorophenyl)-6-methylpyrazolo[1,5-a]pyridin-3-yl]pyrimidin-2-amine

> <PUBCHEM_IUPAC_NAME>
N-cyclopropyl-4-[2-(4-fluorophenyl)-6-methylpyrazolo[1,5-a]pyridin-3-yl]pyrimidin-2-amine

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N-cyclopropyl-4-[2-(4-fluorophenyl)-6-methyl-pyrazolo[1,5-a]pyridin-3-yl]pyrimidin-2-amine

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
cyclopropyl-[4-[2-(4-fluorophenyl)-6-methyl-pyrazolo[1,5-a]pyridin-3-yl]pyrimidin-2-yl]amine

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C21H18FN5/c1-13-2-9-18-19(17-10-11-23-21(25-17)24-16-7-8-16)20(26-27(18)12-13)14-3-5-15(22)6-4-14/h2-6,9-12,16H,7-8H2,1H3,(H,23,24,25)

> <PUBCHEM_IUPAC_INCHIKEY>
ZFBHEZPDBHHODH-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
4

> <PUBCHEM_EXACT_MASS>
359.15462376

> <PUBCHEM_MOLECULAR_FORMULA>
C21H18FN5

> <PUBCHEM_MOLECULAR_WEIGHT>
359.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1=CN2C(=C(C(=N2)C3=CC=C(C=C3)F)C4=NC(=NC=C4)NC5CC5)C=C1

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1=CN2C(=C(C(=N2)C3=CC=C(C=C3)F)C4=NC(=NC=C4)NC5CC5)C=C1

> <PUBCHEM_CACTVS_TPSA>
55.1

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
359.15462376

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
27

> <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>
11  13  8
11  14  8
12  15  8
13  17  8
15  16  8
17  21  8
18  22  8
18  23  8
19  20  8
20  21  8
22  25  8
23  26  8
25  27  8
26  27  8
3  10  8
3  12  8
4  10  8
4  16  8
5  13  8
5  19  8
5  6  8
6  14  8

$$$$