
 CHEMBL431370

 27 29  0  0  0  0  0  0  0  0999 V2000
    1.0707   -0.0257   -0.0030 C   0  0  0  0  0
    2.5704   -0.0286   -0.0011 C   0  0  0  0  0
    3.3679    1.1528   -0.0028 C   0  0  0  0  0
    4.7767    1.1766   -0.0020 C   0  0  0  0  0
    5.5207   -0.0290    0.0007 C   0  0  0  0  0
    4.7496   -1.1889    0.0021 C   0  0  0  0  0
    5.2045   -2.4806    0.0045 C   0  0  0  0  0
    4.0575   -3.2309    0.0043 N   0  0  0  0  0
    2.9159   -2.5157    0.0024 N   0  0  0  0  0
    3.3160   -1.2333    0.0011 C   0  0  0  0  0
    6.5542   -3.0815    0.0067 C   0  0  0  0  0
    5.1139    2.5602   -0.0045 C   0  0  0  0  0
    4.0290    3.3425   -0.0069 N   0  0  0  0  0
    3.0050    2.4763   -0.0058 N   0  0  0  0  0
    6.4622    3.1783   -0.0055 C   0  0  0  0  0
    0.6640    0.9890    0.0108 H   0  0  0  0  0
    0.6943   -0.5537    0.8783 H   0  0  0  0  0
    0.6977   -0.5286   -0.9015 H   0  0  0  0  0
    6.6037   -0.0332    0.0014 H   0  0  0  0  0
    3.9790   -4.2426    0.0055 H   0  0  0  0  0
    6.5102   -4.1761    0.0151 H   0  0  0  0  0
    7.1147   -2.7607    0.8906 H   0  0  0  0  0
    7.1115   -2.7740   -0.8840 H   0  0  0  0  0
    2.0650    2.8536   -0.0072 H   0  0  0  0  0
    7.2528    2.4223    0.0087 H   0  0  0  0  0
    6.5914    3.8163    0.8751 H   0  0  0  0  0
    6.6004    3.7929   -0.9012 H   0  0  0  0  0
  1  2  1  0  0  0
  1 16  1  0  0  0
  1 17  1  0  0  0
  1 18  1  0  0  0
  2  3  2  0  0  0
  2 10  1  0  0  0
  3  4  1  0  0  0
  3 14  1  0  0  0
  4  5  2  0  0  0
  4 12  1  0  0  0
  5  6  1  0  0  0
  5 19  1  0  0  0
  6  7  2  0  0  0
  6 10  1  0  0  0
  7  8  1  0  0  0
  7 11  1  0  0  0
  8  9  1  0  0  0
  8 20  1  0  0  0
  9 10  2  0  0  0
 11 21  1  0  0  0
 11 22  1  0  0  0
 11 23  1  0  0  0
 12 13  2  0  0  0
 12 15  1  0  0  0
 13 14  1  0  0  0
 14 24  1  0  0  0
 15 25  1  0  0  0
 15 26  1  0  0  0
 15 27  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL431370

>  <PubChem CID>
14185402

>  <Formula>
C11H12N4

>  <Molecular Weight>
200.245000

>  <IUPAC Name>
3,5,8-trimethyl-1,6-dihydropyrazolo[4,3-f]indazole

>  <XlogP>
2.0

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
CC1=C2C(=CC3=C(NN=C13)C)C(=NN2)C

>  <Isomeric SMILES>
CC1=C2C(=CC3=C(NN=C13)C)C(=NN2)C

>  <InChI Std. ID>
InChI=1S/C11H12N4/c1-5-10-8(6(2)12-14-10)4-9-7(3)13-15-11(5)9/h4H,1-3H3,(H,12,14)(H,13,15)

>  <InChI Key>
AIWFKMLZLPPKGA-UHFFFAOYSA-N

