
 CHEMBL3785899

 39 41  0  0  0  0  0  0  0  0999 V2000
    3.2556   -1.3337    1.9260 C   0  0  0  0  0
    3.2065   -0.7084    0.5215 C   0  0  0  0  0
    1.7454   -0.3883    0.0308 C   0  0  0  0  0
    0.9190   -1.6882   -0.0719 C   0  0  0  0  0
    1.0004    0.5780    0.9734 C   0  0  0  0  0
    1.7885    0.2422   -1.3795 C   0  0  0  0  0
    4.0139    0.5144    0.4966 N   0  0  0  0  0
    5.3907    0.3913    0.6788 C   0  0  0  0  0
    6.0897   -0.7170    0.2906 N   0  0  0  0  0
    7.4350   -0.7918    0.5328 C   0  0  0  0  0
    8.2669    0.0943    1.1439 N   0  0  0  0  0
    7.5680    1.1867    1.5202 C   0  0  0  0  0
    8.0446    2.2804    2.1830 C   0  0  0  0  0
    9.3039    2.6970    2.6983 C   0  0  0  0  0
    9.4030    3.8909    3.3149 C   0  0  0  0  0
    8.2526    4.7667    3.4597 C   0  0  0  0  0
    7.0651    4.3649    2.9778 C   0  0  0  0  0
    6.9450    3.1241    2.3436 N   0  0  0  0  0
    5.8018    2.5858    1.8350 N   0  0  0  0  0
    6.1687    1.3938    1.3180 C   0  0  0  0  0
    4.2754   -1.6320    2.1890 H   0  0  0  0  0
    2.6432   -2.2358    1.9912 H   0  0  0  0  0
    2.9240   -0.6291    2.6948 H   0  0  0  0  0
    3.6314   -1.4322   -0.1876 H   0  0  0  0  0
    1.4284   -2.4328   -0.6941 H   0  0  0  0  0
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    0.7343   -2.1353    0.9101 H   0  0  0  0  0
    1.5120    1.5423    1.0585 H   0  0  0  0  0
    0.8934    0.1615    1.9805 H   0  0  0  0  0
   -0.0115    0.7830    0.6027 H   0  0  0  0  0
    2.2994    1.2108   -1.3768 H   0  0  0  0  0
    0.7774    0.4130   -1.7658 H   0  0  0  0  0
    2.3076   -0.4124   -2.0875 H   0  0  0  0  0
    3.6673    1.2879    1.0609 H   0  0  0  0  0
    7.9103   -1.7079    0.1873 H   0  0  0  0  0
   10.1645    2.0432    2.5927 H   0  0  0  0  0
   10.3523    4.2273    3.7217 H   0  0  0  0  0
    8.3757    5.7226    3.9565 H   0  0  0  0  0
    6.1599    4.9529    3.0479 H   0  0  0  0  0
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  1 21  1  0  0  0
  1 22  1  0  0  0
  1 23  1  0  0  0
  2  7  1  0  0  0
  2  3  1  0  0  0
  2 24  1  0  0  0
  3  6  1  0  0  0
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  5 29  1  0  0  0
  5 30  1  0  0  0
  6 31  1  0  0  0
  6 32  1  0  0  0
  6 33  1  0  0  0
  7  8  1  0  0  0
  7 34  1  0  0  0
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  9 10  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL3785899

>  <PubChem CID>
127033444

>  <Formula>
C15H19N5

>  <Molecular Weight>
269.352000

>  <IUPAC Name>
N-[(2S)-3,3-dimethylbutan-2-yl]pyrido[3,4]pyrazolo[1,3-d]pyrimidin-4-amine

>  <XlogP>
3.2

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CC(C(C)(C)C)NC1=NC=NC2=C3C=CC=CN3N=C21

>  <Isomeric SMILES>
C[C@@H](C(C)(C)C)NC1=NC=NC2=C3C=CC=CN3N=C21

>  <InChI Std. ID>
InChI=1S/C15H19N5/c1-10(15(2,3)4)18-14-13-12(16-9-17-14)11-7-5-6-8-20(11)19-13/h5-10H,1-4H3,(H,16,17,18)/t10-/m0/s1

>  <InChI Key>
COFRNOOALHPCJT-JTQLQIEISA-N

