67463184
  -OEChem-04262421212D

 50 53  0     0  0  0  0  0  0999 V2000
    2.8660    4.8818    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.8818    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.3818    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783    1.6865    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.1182    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9209   -3.7250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6318   -2.5683    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    3.3818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    3.3818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.8818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.3818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    4.3818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    4.3818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783    0.0770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2619    0.8818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.3818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9889   -0.8735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.3818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2619    0.8818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9674   -1.0797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3211   -1.6178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8994   -3.9313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6103   -2.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2781   -2.0302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2101   -4.8818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5673   -3.1870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3894    3.4894    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7880    2.7992    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9441    2.7992    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3426    3.4894    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7880    4.9644    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3894    4.2741    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3426    4.2741    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9441    4.9644    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    1.6918    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    0.0718    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2619    0.2618    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8819    0.8818    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2619    1.5018    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3815   -0.6182    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7144   -1.4899    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4854   -4.3927    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8848   -2.1581    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5069   -4.1865    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6208   -5.0744    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4027   -5.4711    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7994   -4.6892    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0287   -3.6010    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9813   -2.7255    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1058   -2.7729    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  5  1  0  0  0  0
  3 11  1  0  0  0  0
  3 14  1  0  0  0  0
  4 11  2  0  0  0  0
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  5 18  2  0  0  0  0
  6 22  1  0  0  0  0
  6 23  1  0  0  0  0
  6 44  1  0  0  0  0
  7 21  1  0  0  0  0
  7 23  2  0  0  0  0
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  8 27  1  0  0  0  0
  8 28  1  0  0  0  0
  9 13  1  0  0  0  0
  9 29  1  0  0  0  0
  9 30  1  0  0  0  0
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 10 16  2  0  0  0  0
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 12 32  1  0  0  0  0
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 13 34  1  0  0  0  0
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 19 37  1  0  0  0  0
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 19 39  1  0  0  0  0
 20 24  2  0  0  0  0
 20 40  1  0  0  0  0
 21 41  1  0  0  0  0
 22 25  1  0  0  0  0
 22 26  1  0  0  0  0
 22 42  1  0  0  0  0
 23 24  1  0  0  0  0
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 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
M  END
> <PUBCHEM_COMPOUND_CID>
67463184

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
457

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
6

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
4

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7oAAAAAAAAAAAAAAAAAAAAWAAAAAsWLAAAAAAAFgB+AAAHgAYAAAADCjhnwY/8J/IFACiAzZnZACShC8xkqAd2KA4dJiKaOLA2dGXpAhomALYyCcQgAAOAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N-isopropyl-5-(2-methyl-8-morpholino-imidazo[1,2-b]pyridazin-3-yl)pyridin-2-amine

> <PUBCHEM_IUPAC_CAS_NAME>
5-[2-methyl-8-(4-morpholinyl)-3-imidazo[1,2-b]pyridazinyl]-N-propan-2-yl-2-pyridinamine

> <PUBCHEM_IUPAC_NAME_MARKUP>
5-(2-methyl-8-morpholin-4-ylimidazo[1,2-b]pyridazin-3-yl)-<I>N</I>-propan-2-ylpyridin-2-amine

> <PUBCHEM_IUPAC_NAME>
5-(2-methyl-8-morpholin-4-ylimidazo[1,2-b]pyridazin-3-yl)-N-propan-2-ylpyridin-2-amine

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
5-(2-methyl-8-morpholin-4-yl-imidazo[1,2-b]pyridazin-3-yl)-N-propan-2-yl-pyridin-2-amine

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
isopropyl-[5-(2-methyl-8-morpholino-imidazo[1,2-b]pyridazin-3-yl)-2-pyridyl]amine

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C19H24N6O/c1-13(2)22-17-5-4-15(12-20-17)18-14(3)23-19-16(6-7-21-25(18)19)24-8-10-26-11-9-24/h4-7,12-13H,8-11H2,1-3H3,(H,20,22)

> <PUBCHEM_IUPAC_INCHIKEY>
SPLXCDHXKSRDFH-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
2.2

> <PUBCHEM_EXACT_MASS>
352.20115941

> <PUBCHEM_MOLECULAR_FORMULA>
C19H24N6O

> <PUBCHEM_MOLECULAR_WEIGHT>
352.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1=C(N2C(=N1)C(=CC=N2)N3CCOCC3)C4=CN=C(C=C4)NC(C)C

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1=C(N2C(=N1)C(=CC=N2)N3CCOCC3)C4=CN=C(C=C4)NC(C)C

> <PUBCHEM_CACTVS_TPSA>
67.6

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
352.20115941

> <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  11  8
10  16  8
14  15  8
16  18  8
17  20  8
17  21  8
20  24  8
23  24  8
3  11  8
3  14  8
3  5  8
4  11  8
4  15  8
5  18  8
7  21  8
7  23  8

$$$$