
 CHEMBL364168

 60 62  0  0  0  0  0  0  0  0999 V2000
    6.1273   -1.1426    1.6238 C   0  0  0  0  0
    5.2339    0.0726    1.4387 C   0  0  0  0  0
    5.0801    0.4451   -0.0398 C   0  0  0  0  0
    4.3175    1.7124   -0.1997 N   0  0  0  0  0
    2.8580    1.4724   -0.1133 C   0  0  0  0  0
    2.2349    2.0601    1.1540 C   0  0  0  0  0
    0.7339    1.8070    1.1837 C   0  0  0  0  0
    4.9558    3.0172   -0.3072 C   0  0  0  0  0
    4.3673    4.1773   -0.7355 C   0  0  0  0  0
    5.1871    5.4543   -0.6574 C   0  0  0  0  0
    6.4487    5.5210   -0.3759 N   0  0  0  0  0
    7.0658    4.3549   -0.0654 C   0  0  0  0  0
    8.3930    4.1052    0.2281 C   0  0  0  0  0
    8.4464    2.7264    0.5060 C   0  0  0  0  0
    7.2455    2.1557    0.4245 N   0  0  0  0  0
    6.3722    3.1340    0.0253 N   0  0  0  0  0
    9.6276    1.9005    0.8647 C   0  0  0  0  0
    9.4474    5.1035    0.1853 C   0  0  0  0  0
   10.5211    4.9208   -0.6782 C   0  0  0  0  0
   11.5598    5.7813   -0.8234 N   0  0  0  0  0
   11.5701    6.9189   -0.0956 C   0  0  0  0  0
   10.5359    7.1603    0.8140 C   0  0  0  0  0
    9.4656    6.2575    0.9739 C   0  0  0  0  0
    8.3757    6.6171    1.9448 C   0  0  0  0  0
   12.6449    7.8052   -0.2493 N   0  0  0  0  0
   12.4302    9.2121    0.0611 C   0  0  0  0  0
   13.4725    7.5347   -1.4234 C   0  0  0  0  0
    4.5149    6.7951   -0.8900 C   0  0  0  0  0
    2.6640    4.3800   -1.5035 Br  0  0  0  0  0
    6.2495   -1.3626    2.6895 H   0  0  0  0  0
    7.1203   -0.9723    1.1965 H   0  0  0  0  0
    5.6899   -2.0242    1.1445 H   0  0  0  0  0
    5.6371    0.9099    2.0183 H   0  0  0  0  0
    4.2516   -0.1491    1.8719 H   0  0  0  0  0
    4.5440   -0.3688   -0.5486 H   0  0  0  0  0
    6.0314    0.4754   -0.5782 H   0  0  0  0  0
    2.6522    0.3934   -0.0978 H   0  0  0  0  0
    2.3567    1.8008   -1.0255 H   0  0  0  0  0
    2.4174    3.1354    1.2331 H   0  0  0  0  0
    2.6904    1.6065    2.0408 H   0  0  0  0  0
    0.2406    2.2661    0.3205 H   0  0  0  0  0
    0.2933    2.2303    2.0914 H   0  0  0  0  0
    0.5165    0.7337    1.1706 H   0  0  0  0  0
   10.2988    2.4456    1.5356 H   0  0  0  0  0
   10.1856    1.6280   -0.0370 H   0  0  0  0  0
    9.3290    0.9762    1.3709 H   0  0  0  0  0
   10.5844    4.0457   -1.3201 H   0  0  0  0  0
   10.5419    8.0575    1.4227 H   0  0  0  0  0
    7.9118    5.7310    2.3873 H   0  0  0  0  0
    7.6101    7.2179    1.4436 H   0  0  0  0  0
    8.7773    7.2044    2.7777 H   0  0  0  0  0
   12.2569    9.3610    1.1323 H   0  0  0  0  0
   11.5895    9.6252   -0.5071 H   0  0  0  0  0
   13.3197    9.8049   -0.1828 H   0  0  0  0  0
   13.8939    6.5228   -1.3980 H   0  0  0  0  0
   14.3262    8.2199   -1.4570 H   0  0  0  0  0
   12.9021    7.6689   -2.3503 H   0  0  0  0  0
    3.6298    6.8924   -0.2522 H   0  0  0  0  0
    4.2440    6.9067   -1.9414 H   0  0  0  0  0
    5.1983    7.6101   -0.6258 H   0  0  0  0  0
  1  2  1  0  0  0
  1 30  1  0  0  0
  1 31  1  0  0  0
  1 32  1  0  0  0
  2  3  1  0  0  0
  2 33  1  0  0  0
  2 34  1  0  0  0
  3  4  1  0  0  0
  3 35  1  0  0  0
  3 36  1  0  0  0
  4  8  1  0  0  0
  4  5  1  0  0  0
  5  6  1  0  0  0
  5 37  1  0  0  0
  5 38  1  0  0  0
  6  7  1  0  0  0
  6 39  1  0  0  0
  6 40  1  0  0  0
  7 41  1  0  0  0
  7 42  1  0  0  0
  7 43  1  0  0  0
  8  9  2  0  0  0
  8 16  1  0  0  0
  9 10  1  0  0  0
  9 29  1  0  0  0
 10 11  2  0  0  0
 10 28  1  0  0  0
 11 12  1  0  0  0
 12 13  2  0  0  0
 12 16  1  0  0  0
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 28 60  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL364168

>  <PubChem CID>
11751505

>  <Formula>
C22H31BrN6

>  <Molecular Weight>
459.436000

>  <IUPAC Name>
6-bromo-3-[6-(dimethylamino)-4-methylpyridin-3-yl]-2,5-dimethyl-N,N-dipropylpyrazolo[1,5-a]pyrimidin-7-amine

>  <XlogP>
5.4

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CCCN(CCC)C1=C(C(=NC2=C(C(=NN21)C)C3=CN=C(C=C3C)N(C)C)C)Br

>  <Isomeric SMILES>
CCCN(CCC)C1=C(C(=NC2=C(C(=NN21)C)C3=CN=C(C=C3C)N(C)C)C)Br

>  <InChI Std. ID>
InChI=1S/C22H31BrN6/c1-8-10-28(11-9-2)22-20(23)16(5)25-21-19(15(4)26-29(21)22)17-13-24-18(27(6)7)12-14(17)3/h12-13H,8-11H2,1-7H3

>  <InChI Key>
AYRYJGVEJDAPTP-UHFFFAOYSA-N

