69557199
  -OEChem-04252402262D

 44 47  0     0  0  0  0  0  0999 V2000
    9.2619   -2.1127    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.6127    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783   -2.9175    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9674   -0.1513    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2566    1.0055    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6103    1.5436    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783   -1.3080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.6127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2619   -2.1127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9889   -0.3575    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2619   -2.1127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.1127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.1127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.6127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3211    0.3868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.6127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5673    1.9560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7619   -2.9788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7619   -1.2467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2781    0.7993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5458    2.1622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6318    1.3373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7619   -2.9788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7619   -1.2467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2619   -2.1127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8564    3.1127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.4927    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.7327    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -1.3027    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7144    0.2590    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5467    2.5756    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9534    2.0434    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -2.9227    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4519   -3.5157    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4519   -0.7098    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5663    1.5426    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1596    2.0749    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6707    0.5440    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2177    1.7988    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0719   -3.5157    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0719   -0.7098    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4458    2.9201    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0490    3.7021    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2671    3.3054    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 25  1  0  0  0  0
  2  3  1  0  0  0  0
  2  8  1  0  0  0  0
  2 13  1  0  0  0  0
  3  9  2  0  0  0  0
  4 10  2  0  0  0  0
  4 20  1  0  0  0  0
  5 17  1  0  0  0  0
  5 20  1  0  0  0  0
  5 38  1  0  0  0  0
  6 20  2  0  0  0  0
  6 22  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  7 10  1  0  0  0  0
  8 12  1  0  0  0  0
  9 11  1  0  0  0  0
 10 15  1  0  0  0  0
 11 18  2  0  0  0  0
 11 19  1  0  0  0  0
 12 14  2  0  0  0  0
 12 27  1  0  0  0  0
 13 16  2  0  0  0  0
 13 28  1  0  0  0  0
 14 16  1  0  0  0  0
 14 29  1  0  0  0  0
 15 22  2  0  0  0  0
 15 30  1  0  0  0  0
 16 33  1  0  0  0  0
 17 21  1  0  0  0  0
 17 31  1  0  0  0  0
 17 32  1  0  0  0  0
 18 23  1  0  0  0  0
 18 34  1  0  0  0  0
 19 24  2  0  0  0  0
 19 35  1  0  0  0  0
 21 26  1  0  0  0  0
 21 36  1  0  0  0  0
 21 37  1  0  0  0  0
 22 39  1  0  0  0  0
 23 25  2  0  0  0  0
 23 40  1  0  0  0  0
 24 25  1  0  0  0  0
 24 41  1  0  0  0  0
 26 42  1  0  0  0  0
 26 43  1  0  0  0  0
 26 44  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
69557199

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
442

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
5

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7gQAAAAAAAAAAAAAAAAAAAWAAAAA8WIAAAAAAAFgB/AAAHQAYAAAADAjBHgw/0LbIEACiAzRnZACShCkxgqAZ2KA4ZJiIKOLA2dGEpAhomALIyCcQgMAOAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

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

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

> <PUBCHEM_IUPAC_NAME_MARKUP>
4-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]-<I>N</I>-propylpyrimidin-2-amine

> <PUBCHEM_IUPAC_NAME>
4-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]-N-propylpyrimidin-2-amine

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

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

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C20H18FN5/c1-2-11-22-20-23-12-10-16(24-20)18-17-5-3-4-13-26(17)25-19(18)14-6-8-15(21)9-7-14/h3-10,12-13H,2,11H2,1H3,(H,22,23,24)

> <PUBCHEM_IUPAC_INCHIKEY>
SUWMKGNNIYXVEH-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
4

> <PUBCHEM_EXACT_MASS>
347.15462376

> <PUBCHEM_MOLECULAR_FORMULA>
C20H18FN5

> <PUBCHEM_MOLECULAR_WEIGHT>
347.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
CCCNC1=NC=CC(=N1)C2=C3C=CC=CN3N=C2C4=CC=C(C=C4)F

> <PUBCHEM_OPENEYE_ISO_SMILES>
CCCNC1=NC=CC(=N1)C2=C3C=CC=CN3N=C2C4=CC=C(C=C4)F

> <PUBCHEM_CACTVS_TPSA>
55.1

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
347.15462376

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
26

> <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
11  18  8
11  19  8
12  14  8
13  16  8
14  16  8
15  22  8
18  23  8
19  24  8
2  13  8
2  3  8
2  8  8
23  25  8
24  25  8
3  9  8
4  10  8
4  20  8
6  20  8
6  22  8
7  8  8
7  9  8
8  12  8

$$$$