70747705
  -OEChem-05042411102D

 53 56  0     1  0  0  0  0  0999 V2000
    2.0000   -3.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    2.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2764    0.9453    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -3.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.7500    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.7320   -3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2764    2.5547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8600    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611   -1.4400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9441   -3.8326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3426   -3.1423    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2646   -1.2750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4675   -1.2750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3860   -0.1674    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9875   -0.8577    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4675   -4.2250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2646   -4.2250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7880   -1.6674    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3894   -2.3577    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -0.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -1.1300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9272   -3.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611    0.9400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.1300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -1.9400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -4.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3520    3.7500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    4.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1120    3.7500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5560    2.7869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291    1.9400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1760    1.7131    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4690    3.1440    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4800    1.7500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  1  0  0  0  0
  1 13  1  0  0  0  0
  2  8  1  0  0  0  0
  2  9  1  0  0  0  0
  2 10  1  0  0  0  0
  3 11  1  0  0  0  0
  3 15  1  0  0  0  0
  3 39  1  0  0  0  0
  4  6  1  0  0  0  0
  4 15  1  0  0  0  0
  4 21  1  0  0  0  0
  5 19  2  0  0  0  0
  5 21  1  0  0  0  0
  6 27  2  0  0  0  0
  7 22  2  0  0  0  0
  7 23  1  0  0  0  0
  8 11  1  0  0  0  0
  8 14  1  0  0  0  0
  8 28  1  0  0  0  0
  9 12  1  0  0  0  0
  9 29  1  0  0  0  0
  9 30  1  0  0  0  0
 10 13  1  0  0  0  0
 10 31  1  0  0  0  0
 10 32  1  0  0  0  0
 11 33  1  0  0  0  0
 11 34  1  0  0  0  0
 12 35  1  0  0  0  0
 12 36  1  0  0  0  0
 13 37  1  0  0  0  0
 13 38  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
 16 22  1  0  0  0  0
 16 40  1  0  0  0  0
 17 23  2  0  0  0  0
 17 41  1  0  0  0  0
 18 19  1  0  0  0  0
 18 42  1  0  0  0  0
 19 20  1  0  0  0  0
 20 24  1  0  0  0  0
 20 25  1  0  0  0  0
 20 43  1  0  0  0  0
 21 26  2  0  0  0  0
 22 44  1  0  0  0  0
 23 45  1  0  0  0  0
 24 46  1  0  0  0  0
 24 47  1  0  0  0  0
 24 48  1  0  0  0  0
 25 49  1  0  0  0  0
 25 50  1  0  0  0  0
 25 51  1  0  0  0  0
 26 27  1  0  0  0  0
 26 52  1  0  0  0  0
 27 53  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
70747705

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
452

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
6

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
6

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7oAAAAAAAAAAAAAAAAAAAAWAAAAAsWLAAAAAAAFgB+AAAHgAYAAAADSjhnwY/sJ/IFACiAzZnZACShCsxgqAd2KA4ZJiKaOLA2dGXpAh4mALYyCYQAAAOAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
5-isopropyl-N-[2-morpholino-2-(4-pyridyl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine

> <PUBCHEM_IUPAC_CAS_NAME>
N-[2-(4-morpholinyl)-2-pyridin-4-ylethyl]-5-propan-2-yl-7-pyrazolo[1,5-a]pyrimidinamine

> <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>-(2-morpholin-4-yl-2-pyridin-4-ylethyl)-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine

> <PUBCHEM_IUPAC_NAME>
N-(2-morpholin-4-yl-2-pyridin-4-ylethyl)-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N-(2-morpholin-4-yl-2-pyridin-4-yl-ethyl)-5-propan-2-yl-pyrazolo[1,5-a]pyrimidin-7-amine

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(5-isopropylpyrazolo[1,5-a]pyrimidin-7-yl)-[2-morpholino-2-(4-pyridyl)ethyl]amine

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C20H26N6O/c1-15(2)17-13-20(26-19(24-17)5-8-23-26)22-14-18(16-3-6-21-7-4-16)25-9-11-27-12-10-25/h3-8,13,15,18,22H,9-12,14H2,1-2H3

> <PUBCHEM_IUPAC_INCHIKEY>
WEKXAQKJMJWTLY-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
1.9

> <PUBCHEM_EXACT_MASS>
366.21680947

> <PUBCHEM_MOLECULAR_FORMULA>
C20H26N6O

> <PUBCHEM_MOLECULAR_WEIGHT>
366.5

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC(C)C1=NC2=CC=NN2C(=C1)NCC(C3=CC=NC=C3)N4CCOCC4

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC(C)C1=NC2=CC=NN2C(=C1)NCC(C3=CC=NC=C3)N4CCOCC4

> <PUBCHEM_CACTVS_TPSA>
67.6

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
366.21680947

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
27

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
1

> <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
16  22  8
17  23  8
18  19  8
21  26  8
26  27  8
4  15  8
4  21  8
4  6  8
5  19  8
5  21  8
6  27  8
7  22  8
7  23  8
8  11  3

$$$$