
 UNII-XBY7Y3DR1J

 59 61  0  0  0  0  0  0  0  0999 V2000
    0.9905    1.5191   -1.8150 C   0  0  0  0  0
    2.5107    1.5024   -1.7978 C   0  0  0  0  0
    3.0502    1.3122   -0.3790 C   0  0  0  0  0
    4.5257    1.4224   -0.3412 N   0  0  0  0  0
    5.2222    0.1346   -0.5692 C   0  0  0  0  0
    5.8421    0.0425   -1.9687 C   0  0  0  0  0
    6.4688   -1.2360   -2.1151 O   0  0  0  0  0
    7.0146   -1.4035   -3.4172 C   0  0  0  0  0
    5.2197    2.6510   -0.0931 C   0  0  0  0  0
    6.5468    2.6838    0.1574 C   0  0  0  0  0
    7.1975    3.9977    0.4206 C   0  0  0  0  0
    6.5951    5.1438    0.4056 N   0  0  0  0  0
    5.2564    5.1237    0.1247 C   0  0  0  0  0
    4.3423    6.1533   -0.0083 C   0  0  0  0  0
    3.1088    5.5233   -0.2690 C   0  0  0  0  0
    3.2208    4.1952   -0.3113 N   0  0  0  0  0
    4.5459    3.9259   -0.1000 N   0  0  0  0  0
    1.7833    6.1574   -0.4812 C   0  0  0  0  0
    4.6594    7.5601    0.1440 C   0  0  0  0  0
    5.4967    8.2382   -0.7539 C   0  0  0  0  0
    5.7459    9.6051   -0.5854 C   0  0  0  0  0
    5.2058   10.2985    0.5000 C   0  0  0  0  0
    4.3748    9.6283    1.3972 C   0  0  0  0  0
    4.1006    8.2681    1.2176 C   0  0  0  0  0
    5.5391   11.6241    0.5599 O   0  0  0  0  0
    5.3346   12.2689    1.8113 C   0  0  0  0  0
    5.9962    7.5674   -1.8434 O   0  0  0  0  0
    7.4194    7.6476   -1.9127 C   0  0  0  0  0
    8.6779    3.9910    0.7150 C   0  0  0  0  0
    0.6251    1.6771   -2.8348 H   0  0  0  0  0
    0.5974    2.3235   -1.1849 H   0  0  0  0  0
    0.5854    0.5684   -1.4534 H   0  0  0  0  0
    2.8876    2.4287   -2.2425 H   0  0  0  0  0
    2.8592    0.6876   -2.4415 H   0  0  0  0  0
    2.7435    0.3208   -0.0192 H   0  0  0  0  0
    2.5856    1.9966    0.3380 H   0  0  0  0  0
    4.5359   -0.7130   -0.4427 H   0  0  0  0  0
    5.9864   -0.0344    0.1988 H   0  0  0  0  0
    6.5914    0.8281   -2.1156 H   0  0  0  0  0
    5.0690    0.1571   -2.7354 H   0  0  0  0  0
    7.4571   -2.4009   -3.4789 H   0  0  0  0  0
    7.7976   -0.6609   -3.6006 H   0  0  0  0  0
    6.2311   -1.3219   -4.1764 H   0  0  0  0  0
    7.1752    1.8068    0.1982 H   0  0  0  0  0
    1.0761    5.4607   -0.9436 H   0  0  0  0  0
    1.8697    7.0294   -1.1376 H   0  0  0  0  0
    1.3623    6.4836    0.4750 H   0  0  0  0  0
    6.3566   10.1437   -1.3034 H   0  0  0  0  0
    3.9133   10.1361    2.2373 H   0  0  0  0  0
    3.4516    7.7608    1.9285 H   0  0  0  0  0
    5.7750   13.2687    1.7470 H   0  0  0  0  0
    5.8396   11.7332    2.6212 H   0  0  0  0  0
    4.2666   12.3892    2.0220 H   0  0  0  0  0
    7.7754    6.7932   -2.4963 H   0  0  0  0  0
    7.8904    7.5984   -0.9237 H   0  0  0  0  0
    7.7216    8.5609   -2.4341 H   0  0  0  0  0
    9.0588    2.9755    0.8445 H   0  0  0  0  0
    8.8680    4.5569    1.6319 H   0  0  0  0  0
    9.2088    4.4678   -0.1140 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  9  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  8  1  0  0  0
  8 41  1  0  0  0
  8 42  1  0  0  0
  8 43  1  0  0  0
  9 10  2  0  0  0
  9 17  1  0  0  0
 10 11  1  0  0  0
 10 44  1  0  0  0
 11 12  2  0  0  0
 11 29  1  0  0  0
 12 13  1  0  0  0
 13 17  1  0  0  0
 13 14  2  0  0  0
 14 15  1  0  0  0
 14 19  1  0  0  0
 15 16  2  0  0  0
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 16 17  1  0  0  0
 18 45  1  0  0  0
 18 46  1  0  0  0
 18 47  1  0  0  0
 19 20  2  0  0  0
 19 24  1  0  0  0
 20 21  1  0  0  0
 20 27  1  0  0  0
 21 22  2  0  0  0
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 23 24  2  0  0  0
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 29 57  1  0  0  0
 29 58  1  0  0  0
 29 59  1  0  0  0
M  END

>  <Chemical Name>
UNII-XBY7Y3DR1J

>  <PubChem CID>
9865624

>  <Formula>
C22H30N4O3

>  <Molecular Weight>
398.507000

>  <IUPAC Name>
3-(2,4-dimethoxyphenyl)-N-(2-methoxyethyl)-2,5-dimethyl-N-propylpyrazolo[1,5-a]pyrimidin-7-amine

>  <XlogP>
3.9

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CCCN(CCOC)C1=CC(=NC2=C(C(=NN12)C)C3=C(C=C(C=C3)OC)OC)C

>  <Isomeric SMILES>
CCCN(CCOC)C1=CC(=NC2=C(C(=NN12)C)C3=C(C=C(C=C3)OC)OC)C

>  <InChI Std. ID>
InChI=1S/C22H30N4O3/c1-7-10-25(11-12-27-4)20-13-15(2)23-22-21(16(3)24-26(20)22)18-9-8-17(28-5)14-19(18)29-6/h8-9,13-14H,7,10-12H2,1-6H3

>  <InChI Key>
AKFWXFDMKRSYRD-UHFFFAOYSA-N

