
 UNII-O90RQ1XQ79

 75 79  0  0  0  0  0  0  0  0999 V2000
    2.8072   -0.7802    0.8823 C   0  0  0  0  0
    2.1424    0.3434    0.1013 C   0  0  0  0  0
    2.7653    1.6832    0.3228 C   0  0  0  0  0
    4.0868    1.8366    0.1789 N   0  0  0  0  0
    4.3150    3.1818    0.2880 N   0  0  0  0  0
    3.1202    3.8511    0.6077 C   0  0  0  0  0
    2.1177    2.9110    0.6056 C   0  0  0  0  0
    0.7847    3.1070    0.8237 N   0  0  0  0  0
    0.2262    2.7076    2.1190 C   0  0  0  0  0
    0.1612    3.8698    3.0704 C   0  0  0  0  0
   -1.1478    4.5702    3.3553 C   0  0  0  0  0
   -0.5146    3.7098    4.4101 C   0  0  0  0  0
    0.0367    4.0717    0.0103 C   0  0  0  0  0
   -0.5826    3.3984   -1.2344 C   0  0  0  0  0
   -1.7193    2.4234   -0.8924 C   0  0  0  0  0
   -2.9730    3.1560   -0.4281 C   0  0  0  0  0
   -3.3989    4.1046   -1.4048 O   0  0  0  0  0
   -2.4123    5.0978   -1.6788 C   0  0  0  0  0
   -1.1303    4.4604   -2.2039 C   0  0  0  0  0
    3.1810    5.2549    0.8443 C   0  0  0  0  0
    4.3394    5.9110    0.6798 C   0  0  0  0  0
    5.5473    5.2198    0.2762 C   0  0  0  0  0
    5.5378    3.8786    0.1144 C   0  0  0  0  0
    6.7962    3.1940   -0.2784 C   0  0  0  0  0
    7.9526    3.2661    0.5269 C   0  0  0  0  0
    9.1412    2.6309    0.1402 C   0  0  0  0  0
    9.2236    1.9508   -1.0786 C   0  0  0  0  0
    8.0931    1.9039   -1.9016 C   0  0  0  0  0
    6.8873    2.4944   -1.4963 C   0  0  0  0  0
    5.8068    2.4836   -2.3469 O   0  0  0  0  0
    5.3978    1.1528   -2.6683 C   0  0  0  0  0
   10.5234    1.3423   -1.5296 C   0  0  0  0  0
   11.2578    2.3457   -2.2252 O   0  0  0  0  0
   12.4810    1.8412   -2.7397 C   0  0  0  0  0
    7.8851    3.9313    1.7293 O   0  0  0  0  0
    8.8970    4.9318    1.8580 C   0  0  0  0  0
    2.2907   -1.7264    0.6937 H   0  0  0  0  0
    2.7800   -0.5835    1.9579 H   0  0  0  0  0
    3.8543   -0.9072    0.5873 H   0  0  0  0  0
    1.0802    0.3722    0.3689 H   0  0  0  0  0
    2.1860    0.1114   -0.9699 H   0  0  0  0  0
    0.8326    1.9146    2.5746 H   0  0  0  0  0
   -0.7710    2.2789    1.9703 H   0  0  0  0  0
    1.0734    4.4539    3.0647 H   0  0  0  0  0
   -2.0542    4.2032    2.8882 H   0  0  0  0  0
   -1.1264    5.6443    3.4918 H   0  0  0  0  0
   -0.0656    4.2039    5.2644 H   0  0  0  0  0
   -0.9846    2.7612    4.6460 H   0  0  0  0  0
    0.6943    4.8809   -0.3263 H   0  0  0  0  0
   -0.7370    4.5612    0.6079 H   0  0  0  0  0
    0.2074    2.8390   -1.7526 H   0  0  0  0  0
   -1.4072    1.6844   -0.1491 H   0  0  0  0  0
   -1.9684    1.8639   -1.8043 H   0  0  0  0  0
   -3.7887    2.4390   -0.2883 H   0  0  0  0  0
   -2.8231    3.6627    0.5308 H   0  0  0  0  0
   -2.8245    5.7734   -2.4354 H   0  0  0  0  0
   -2.2335    5.6935   -0.7768 H   0  0  0  0  0
   -1.3540    3.9666   -3.1587 H   0  0  0  0  0
   -0.3788    5.2306   -2.4089 H   0  0  0  0  0
    2.2872    5.7817    1.1616 H   0  0  0  0  0
    4.4037    6.9810    0.8571 H   0  0  0  0  0
    6.4429    5.8139    0.1305 H   0  0  0  0  0
   10.0149    2.6710    0.7858 H   0  0  0  0  0
    8.1589    1.4279   -2.8763 H   0  0  0  0  0
    5.9501    0.7914   -3.5416 H   0  0  0  0  0
    4.3353    1.1809   -2.9286 H   0  0  0  0  0
    5.5230    0.4570   -1.8302 H   0  0  0  0  0
   10.3335    0.4851   -2.1866 H   0  0  0  0  0
   11.0978    0.9873   -0.6655 H   0  0  0  0  0
   12.9963    2.6535   -3.2595 H   0  0  0  0  0
   12.2929    1.0343   -3.4545 H   0  0  0  0  0
   13.1209    1.4848   -1.9270 H   0  0  0  0  0
    9.8384    4.4887    2.1958 H   0  0  0  0  0
    8.5678    5.6429    2.6217 H   0  0  0  0  0
    9.0453    5.4882    0.9250 H   0  0  0  0  0
  1  2  1  0  0  0
  1 37  1  0  0  0
  1 38  1  0  0  0
  1 39  1  0  0  0
  2  3  1  0  0  0
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M  END

>  <Chemical Name>
UNII-O90RQ1XQ79

>  <PubChem CID>
10255153

>  <Formula>
C29H39N3O4

>  <Molecular Weight>
493.648000

>  <IUPAC Name>
N-(cyclopropylmethyl)-7-[2,6-dimethoxy-4-(methoxymethyl)phenyl]-2-ethyl-N-(oxan-4-ylmethyl)pyrazolo[1,5-a]pyridin-3-amine

>  <XlogP>
4.6

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CCC1=NN2C(=C1N(CC3CC3)CC4CCOCC4)C=CC=C2C5=C(C=C(C=C5OC)COC)OC

>  <Isomeric SMILES>
CCC1=NN2C(=C1N(CC3CC3)CC4CCOCC4)C=CC=C2C5=C(C=C(C=C5OC)COC)OC

>  <InChI Std. ID>
InChI=1S/C29H39N3O4/c1-5-23-29(31(17-20-9-10-20)18-21-11-13-36-14-12-21)25-8-6-7-24(32(25)30-23)28-26(34-3)15-22(19-33-2)16-27(28)35-4/h6-8,15-16,20-21H,5,9-14,17-19H2,1-4H3

>  <InChI Key>
KGMOFBPANMLEMS-UHFFFAOYSA-N

