
 CHEMBL1939573

 55 57  0  0  0  0  0  0  0  0999 V2000
    2.4165    1.7974    1.6824 C   0  0  0  0  0
    3.6617    0.9830    1.3576 C   0  0  0  0  0
    4.4980    1.5408    0.1808 C   0  0  0  0  0
    4.9602    2.9937    0.4427 C   0  0  0  0  0
    5.6655    3.6371   -0.7468 C   0  0  0  0  0
    5.6454    0.5937   -0.1191 C   0  0  0  0  0
    5.6099   -0.5473   -0.9108 C   0  0  0  0  0
    4.5837   -1.2352   -1.5952 C   0  0  0  0  0
    4.8432   -2.3855   -2.2438 C   0  0  0  0  0
    6.2943   -2.8243   -2.2694 C   0  0  0  0  0
    7.2483   -2.1981   -1.6460 N   0  0  0  0  0
    6.8681   -1.1035   -0.9488 N   0  0  0  0  0
    7.6957   -0.3931   -0.1135 C   0  0  0  0  0
    6.9686    0.6552    0.4109 C   0  0  0  0  0
    9.1034   -0.7978    0.1240 C   0  0  0  0  0
    6.6829   -4.0697   -3.0291 C   0  0  0  0  0
    6.1503   -4.3097   -4.3064 C   0  0  0  0  0
    6.4487   -5.4812   -5.0271 C   0  0  0  0  0
    7.3786   -6.3922   -4.5012 C   0  0  0  0  0
    7.9642   -6.1235   -3.2566 C   0  0  0  0  0
    7.6227   -4.9829   -2.5048 C   0  0  0  0  0
    8.3244   -4.7805   -1.1874 C   0  0  0  0  0
    7.7654   -7.6440   -5.2417 C   0  0  0  0  0
    5.7644   -5.7356   -6.3429 C   0  0  0  0  0
    3.7180   -3.2071   -2.7927 C   0  0  0  0  0
    1.7837    1.2494    2.3882 H   0  0  0  0  0
    1.8266    1.9975    0.7827 H   0  0  0  0  0
    2.6738    2.7514    2.1521 H   0  0  0  0  0
    3.3399   -0.0383    1.1154 H   0  0  0  0  0
    4.2822    0.9031    2.2590 H   0  0  0  0  0
    3.8489    1.5657   -0.7061 H   0  0  0  0  0
    5.6161    3.0366    1.3206 H   0  0  0  0  0
    4.0936    3.6228    0.6738 H   0  0  0  0  0
    6.5816    3.1073   -1.0208 H   0  0  0  0  0
    5.9428    4.6676   -0.5010 H   0  0  0  0  0
    5.0079    3.6641   -1.6211 H   0  0  0  0  0
    3.5694   -0.8564   -1.5198 H   0  0  0  0  0
    7.3553    1.3886    1.1070 H   0  0  0  0  0
    9.5915   -0.1159    0.8279 H   0  0  0  0  0
    9.6751   -0.7869   -0.8090 H   0  0  0  0  0
    9.1480   -1.8054    0.5508 H   0  0  0  0  0
    5.4997   -3.5726   -4.7677 H   0  0  0  0  0
    8.7054   -6.8170   -2.8597 H   0  0  0  0  0
    9.0811   -3.9944   -1.2775 H   0  0  0  0  0
    8.8435   -5.6912   -0.8679 H   0  0  0  0  0
    7.6115   -4.5325   -0.3956 H   0  0  0  0  0
    8.5532   -8.1951   -4.7168 H   0  0  0  0  0
    8.1501   -7.3964   -6.2362 H   0  0  0  0  0
    6.9027   -8.3103   -5.3382 H   0  0  0  0  0
    5.0271   -4.9585   -6.5702 H   0  0  0  0  0
    5.2270   -6.6897   -6.3100 H   0  0  0  0  0
    6.4941   -5.7559   -7.1575 H   0  0  0  0  0
    3.6038   -3.0515   -3.8692 H   0  0  0  0  0
    2.7618   -2.9308   -2.3330 H   0  0  0  0  0
    3.8612   -4.2719   -2.5881 H   0  0  0  0  0
  1  2  1  0  0  0
  1 26  1  0  0  0
  1 27  1  0  0  0
  1 28  1  0  0  0
  2  3  1  0  0  0
  2 29  1  0  0  0
  2 30  1  0  0  0
  3  6  1  0  0  0
  3  4  1  0  0  0
  3 31  1  0  0  0
  4  5  1  0  0  0
  4 32  1  0  0  0
  4 33  1  0  0  0
  5 34  1  0  0  0
  5 35  1  0  0  0
  5 36  1  0  0  0
  6  7  2  0  0  0
  6 14  1  0  0  0
  7  8  1  0  0  0
  7 12  1  0  0  0
  8  9  2  0  0  0
  8 37  1  0  0  0
  9 10  1  0  0  0
  9 25  1  0  0  0
 10 11  2  0  0  0
 10 16  1  0  0  0
 11 12  1  0  0  0
 12 13  1  0  0  0
 13 14  2  0  0  0
 13 15  1  0  0  0
 14 38  1  0  0  0
 15 39  1  0  0  0
 15 40  1  0  0  0
 15 41  1  0  0  0
 16 17  2  0  0  0
 16 21  1  0  0  0
 17 18  1  0  0  0
 17 42  1  0  0  0
 18 19  2  0  0  0
 18 24  1  0  0  0
 19 20  1  0  0  0
 19 23  1  0  0  0
 20 21  2  0  0  0
 20 43  1  0  0  0
 21 22  1  0  0  0
 22 44  1  0  0  0
 22 45  1  0  0  0
 22 46  1  0  0  0
 23 47  1  0  0  0
 23 48  1  0  0  0
 23 49  1  0  0  0
 24 50  1  0  0  0
 24 51  1  0  0  0
 24 52  1  0  0  0
 25 53  1  0  0  0
 25 54  1  0  0  0
 25 55  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL1939573

>  <PubChem CID>
24758071

>  <Formula>
C23H30N2

>  <Molecular Weight>
334.507000

>  <IUPAC Name>
3,7-dimethyl-5-pentan-3-yl-2-(2,4,5-trimethylphenyl)pyrrolo[1,2-b]pyridazine

>  <XlogP>
6.8

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
1

>  <Canonical SMILES>
CCC(CC)C1=C2C=C(C(=NN2C(=C1)C)C3=CC(=C(C=C3C)C)C)C

>  <Isomeric SMILES>
CCC(CC)C1=C2C=C(C(=NN2C(=C1)C)C3=CC(=C(C=C3C)C)C)C

>  <InChI Std. ID>
InChI=1S/C23H30N2/c1-8-19(9-2)21-13-18(7)25-22(21)12-17(6)23(24-25)20-11-15(4)14(3)10-16(20)5/h10-13,19H,8-9H2,1-7H3

>  <InChI Key>
AMZRQRYADJTJOL-UHFFFAOYSA-N

