70769787
  -OEChem-04162411182D

 53 56  0     1  0  0  0  0  0999 V2000
    2.0000   -3.1276    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.1276    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.1276    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.3724    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2764    1.0676    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    2.8724    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -2.1276    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.6276    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
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    2.0000   -2.1276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -2.1276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.8724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -3.1276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -1.6276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    2.3724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.3724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2764    2.6771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8600    1.8724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.3724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -3.6276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -3.1276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5870    3.6276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8600    1.8724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.8724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611   -1.3176    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9441   -3.7102    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3426   -3.0200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2646   -1.1527    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4675   -1.1527    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3860   -0.0450    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9875   -0.7353    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4675   -4.1026    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2646   -4.1026    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7880   -1.5450    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3894   -2.2353    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -0.4376    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9272   -3.4376    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -1.0076    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611    1.0624    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -4.2476    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -3.4376    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1763    3.4350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7796    4.2170    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9977    3.8202    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8600    1.2524    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4800    1.8724    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8600    2.4924    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0420    3.4093    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951    3.1824    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4220    2.3354    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  5  1  0  0  0  0
  4 15  1  0  0  0  0
  4 18  1  0  0  0  0
  5 21  2  0  0  0  0
  6 18  1  0  0  0  0
  6 22  2  0  0  0  0
  7 17  1  0  0  0  0
  7 24  2  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  1  0  0  0  0
 14 17  2  0  0  0  0
 15 19  2  0  0  0  0
 16 23  2  0  0  0  0
 16 40  1  0  0  0  0
 17 41  1  0  0  0  0
 18 20  2  0  0  0  0
 19 22  1  0  0  0  0
 19 42  1  0  0  0  0
 20 21  1  0  0  0  0
 20 25  1  0  0  0  0
 21 26  1  0  0  0  0
 22 27  1  0  0  0  0
 23 24  1  0  0  0  0
 23 43  1  0  0  0  0
 24 44  1  0  0  0  0
 25 45  1  0  0  0  0
 25 46  1  0  0  0  0
 25 47  1  0  0  0  0
 26 48  1  0  0  0  0
 26 49  1  0  0  0  0
 26 50  1  0  0  0  0
 27 51  1  0  0  0  0
 27 52  1  0  0  0  0
 27 53  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
70769787

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
473

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
6

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
5

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7oAAAAAAAAAAAAAAAAAAAAWAAAAAsWLAAAAAAAFgB+AAAHgAYAAAADCjhnwY/sJ/IFACiAzZnZACShCsxAqAd2KA4ZJiKaOLA2dGXpAh4mALYyCcQAAAOAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
2,3,5-trimethyl-N-[2-morpholino-2-(3-pyridyl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine

> <PUBCHEM_IUPAC_CAS_NAME>
2,3,5-trimethyl-N-[2-(4-morpholinyl)-2-(3-pyridinyl)ethyl]-7-pyrazolo[1,5-a]pyrimidinamine

> <PUBCHEM_IUPAC_NAME_MARKUP>
2,3,5-trimethyl-<I>N</I>-(2-morpholin-4-yl-2-pyridin-3-ylethyl)pyrazolo[1,5-a]pyrimidin-7-amine

> <PUBCHEM_IUPAC_NAME>
2,3,5-trimethyl-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)pyrazolo[1,5-a]pyrimidin-7-amine

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2,3,5-trimethyl-N-(2-morpholin-4-yl-2-pyridin-3-yl-ethyl)pyrazolo[1,5-a]pyrimidin-7-amine

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
[2-morpholino-2-(3-pyridyl)ethyl]-(2,3,5-trimethylpyrazolo[1,5-a]pyrimidin-7-yl)amine

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C20H26N6O/c1-14-11-19(26-20(23-14)15(2)16(3)24-26)22-13-18(17-5-4-6-21-12-17)25-7-9-27-10-8-25/h4-6,11-12,18,22H,7-10,13H2,1-3H3

> <PUBCHEM_IUPAC_INCHIKEY>
PVCWNJWHUXAHAY-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>
CC1=NC2=C(C(=NN2C(=C1)NCC(C3=CN=CC=C3)N4CCOCC4)C)C

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1=NC2=C(C(=NN2C(=C1)NCC(C3=CN=CC=C3)N4CCOCC4)C)C

> <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  19  8
16  23  8
18  20  8
19  22  8
20  21  8
23  24  8
4  15  8
4  18  8
4  5  8
5  21  8
6  18  8
6  22  8
7  17  8
7  24  8
8  11  3

$$$$