
 CHEMBL2036252

 58 61  0  0  0  0  0  0  0  0999 V2000
    0.5380   -0.7759   -0.5453 C   0  0  0  0  0
    2.0029   -0.4434   -0.6435 C   0  0  0  0  0
    2.5145    0.8058   -0.5583 C   0  0  0  0  0
    3.9980    0.8926   -0.7224 C   0  0  0  0  0
    4.8312   -0.0928   -0.8103 N   0  0  0  0  0
    4.2795   -1.3429   -0.7921 C   0  0  0  0  0
    4.8532   -2.6022   -0.7710 C   0  0  0  0  0
    3.7586   -3.4821   -0.8544 C   0  0  0  0  0
    2.5806   -2.8568   -0.8689 N   0  0  0  0  0
    2.8894   -1.5344   -0.7793 N   0  0  0  0  0
    6.2829   -2.8612   -0.7015 C   0  0  0  0  0
    6.8540   -3.9482   -1.3716 C   0  0  0  0  0
    8.2388   -4.1571   -1.3281 C   0  0  0  0  0
    9.0691   -3.2821   -0.6247 C   0  0  0  0  0
    8.5005   -2.2376    0.0971 C   0  0  0  0  0
    7.1202   -2.0280    0.0541 C   0  0  0  0  0
   10.4081   -3.5537   -0.6816 O   0  0  0  0  0
   11.2970   -2.4319   -0.5706 C   0  0  0  0  0
   11.9545   -2.4508    0.8050 C   0  0  0  0  0
   12.3469   -2.5729   -1.6684 C   0  0  0  0  0
    1.6970    2.0401   -0.3695 C   0  0  0  0  0
    0.5525    2.1406   -0.7924 O   0  0  0  0  0
    2.3353    3.0489    0.3138 N   0  0  0  0  0
    1.7107    4.3496    0.5085 C   0  0  0  0  0
    2.6846    5.3751    1.0951 C   0  0  0  0  0
    3.7413    5.5771    0.1520 O   0  0  0  0  0
    4.7309    6.4568    0.4936 C   0  0  0  0  0
    4.8235    7.1670    1.6908 C   0  0  0  0  0
    5.9030    8.0291    1.9130 C   0  0  0  0  0
    6.8905    8.1866    0.9413 C   0  0  0  0  0
    6.7996    7.4838   -0.2567 C   0  0  0  0  0
    5.7229    6.6228   -0.4776 C   0  0  0  0  0
   -0.0047   -0.0746    0.0946 H   0  0  0  0  0
    0.3703   -1.7639   -0.1004 H   0  0  0  0  0
    0.0831   -0.7720   -1.5411 H   0  0  0  0  0
    4.4150    1.9098   -0.7862 H   0  0  0  0  0
    3.7694   -4.5637   -0.8893 H   0  0  0  0  0
    6.2411   -4.6294   -1.9567 H   0  0  0  0  0
    8.6748   -4.9940   -1.8673 H   0  0  0  0  0
    9.1001   -1.5675    0.7036 H   0  0  0  0  0
    6.7076   -1.1943    0.6181 H   0  0  0  0  0
   10.7877   -1.4746   -0.7355 H   0  0  0  0  0
   12.5388   -3.3666    0.9478 H   0  0  0  0  0
   11.2031   -2.4331    1.6005 H   0  0  0  0  0
   12.6184   -1.5904    0.9355 H   0  0  0  0  0
   12.8948   -3.5166   -1.5738 H   0  0  0  0  0
   13.0629   -1.7451   -1.6395 H   0  0  0  0  0
   11.8669   -2.5831   -2.6527 H   0  0  0  0  0
    3.2629    2.9238    0.6977 H   0  0  0  0  0
    0.8550    4.2096    1.1778 H   0  0  0  0  0
    1.3383    4.6884   -0.4650 H   0  0  0  0  0
    3.0931    4.9922    2.0383 H   0  0  0  0  0
    2.1515    6.3167    1.2691 H   0  0  0  0  0
    4.0773    7.0765    2.4719 H   0  0  0  0  0
    5.9733    8.5807    2.8481 H   0  0  0  0  0
    7.7274    8.8572    1.1176 H   0  0  0  0  0
    7.5637    7.6043   -1.0197 H   0  0  0  0  0
    5.6561    6.0786   -1.4162 H   0  0  0  0  0
  1  2  1  0  0  0
  1 33  1  0  0  0
  1 34  1  0  0  0
  1 35  1  0  0  0
  2  3  2  0  0  0
  2 10  1  0  0  0
  3  4  1  0  0  0
  3 21  1  0  0  0
  4  5  2  0  0  0
  4 36  1  0  0  0
  5  6  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  2  0  0  0
  8 37  1  0  0  0
  9 10  1  0  0  0
 11 12  2  0  0  0
 11 16  1  0  0  0
 12 13  1  0  0  0
 12 38  1  0  0  0
 13 14  2  0  0  0
 13 39  1  0  0  0
 14 15  1  0  0  0
 14 17  1  0  0  0
 15 16  2  0  0  0
 15 40  1  0  0  0
 16 41  1  0  0  0
 17 18  1  0  0  0
 18 20  1  0  0  0
 18 19  1  0  0  0
 18 42  1  0  0  0
 19 43  1  0  0  0
 19 44  1  0  0  0
 19 45  1  0  0  0
 20 46  1  0  0  0
 20 47  1  0  0  0
 20 48  1  0  0  0
 21 23  1  0  0  0
 21 22  2  0  0  0
 23 24  1  0  0  0
 23 49  1  0  0  0
 24 25  1  0  0  0
 24 50  1  0  0  0
 24 51  1  0  0  0
 25 26  1  0  0  0
 25 52  1  0  0  0
 25 53  1  0  0  0
 26 27  1  0  0  0
 27 28  2  0  0  0
 27 32  1  0  0  0
 28 29  1  0  0  0
 28 54  1  0  0  0
 29 30  2  0  0  0
 29 55  1  0  0  0
 30 31  1  0  0  0
 30 56  1  0  0  0
 31 32  2  0  0  0
 31 57  1  0  0  0
 32 58  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL2036252

>  <PubChem CID>
57388062

>  <Formula>
C25H26N4O3

>  <Molecular Weight>
430.508000

>  <IUPAC Name>
7-methyl-N-(2-phenoxyethyl)-3-(4-propan-2-yloxyphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide

>  <XlogP>
4.1

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CC1=C(C=NC2=C(C=NN12)C3=CC=C(C=C3)OC(C)C)C(=O)NCCOC4=CC=CC=C4

>  <Isomeric SMILES>
CC1=C(C=NC2=C(C=NN12)C3=CC=C(C=C3)OC(C)C)C(=O)NCCOC4=CC=CC=C4

>  <InChI Std. ID>
InChI=1S/C25H26N4O3/c1-17(2)32-21-11-9-19(10-12-21)23-16-28-29-18(3)22(15-27-24(23)29)25(30)26-13-14-31-20-7-5-4-6-8-20/h4-12,15-17H,13-14H2,1-3H3,(H,26,30)

>  <InChI Key>
CIWJZBRFVUVFRY-UHFFFAOYSA-N

