72201042
  -OEChem-05082406252D

 41 44  0     1  0  0  0  0  0999 V2000
    5.3903   -0.1431    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    7.3390    1.5593    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.0710    1.5593    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.9371    0.0593    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.8833   -0.2454    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4730    1.0593    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.5594    1.4660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3684    0.0648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8903    0.7229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9836   -1.0567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9890   -1.1612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2050    1.0593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4013   -0.3522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5823   -2.0748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2050    0.0593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9371    1.0593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0710   -0.4407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4067   -0.4567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5878   -2.1793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.3703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8833    1.3640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4669    0.5593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9930    0.7216    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8694    2.0030    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0578    1.8304    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4333   -0.5518    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9884    0.0648    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4754    1.1836    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3887    0.3585    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9403   -1.6752    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5851   -1.2067    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3390    2.1793    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6534    0.2142    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9467   -2.5764    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6681   -0.2507    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0710   -1.0607    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0423    0.0449    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3356   -2.7457    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3834   -1.4351    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0759    1.9534    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0869    0.5593    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  1  9  1  0  0  0  0
  1 10  1  0  0  0  0
  6  2  1  1  0  0  0
  2 12  1  0  0  0  0
  2 32  1  0  0  0  0
  3 12  2  0  0  0  0
  3 16  1  0  0  0  0
  4  5  1  0  0  0  0
  4 16  1  0  0  0  0
  4 17  1  0  0  0  0
  5 22  2  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6 23  1  0  0  0  0
  7  9  1  0  0  0  0
  7 24  1  0  0  0  0
  7 25  1  0  0  0  0
  8 26  1  0  0  0  0
  8 27  1  0  0  0  0
  9 28  1  0  0  0  0
  9 29  1  0  0  0  0
 10 11  1  0  0  0  0
 10 30  1  0  0  0  0
 10 31  1  0  0  0  0
 11 13  2  0  0  0  0
 11 14  1  0  0  0  0
 12 15  1  0  0  0  0
 13 18  1  0  0  0  0
 13 33  1  0  0  0  0
 14 19  2  0  0  0  0
 14 34  1  0  0  0  0
 15 17  2  0  0  0  0
 15 35  1  0  0  0  0
 16 21  2  0  0  0  0
 17 36  1  0  0  0  0
 18 20  2  0  0  0  0
 18 37  1  0  0  0  0
 19 20  1  0  0  0  0
 19 38  1  0  0  0  0
 20 39  1  0  0  0  0
 21 22  1  0  0  0  0
 21 40  1  0  0  0  0
 22 41  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
72201042

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
357

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
4

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7gAAAAAAAAAAAAAAAAAAAAWLAAAA8QAAAAAAAAFgB8AAAHAAYAAAADCjBGwQ9sJ/IEACiAjJnZACShCsxgqAd2KA4ZJiIaOLA2VGUpAhomALIiCcQgAAOAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N-[(3R)-1-benzylpyrrolidin-3-yl]pyrazolo[1,5-a]pyrimidin-5-amine

> <PUBCHEM_IUPAC_CAS_NAME>
N-[(3R)-1-(phenylmethyl)-3-pyrrolidinyl]-5-pyrazolo[1,5-a]pyrimidinamine

> <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>-[(3<I>R</I>)-1-benzylpyrrolidin-3-yl]pyrazolo[1,5-a]pyrimidin-5-amine

> <PUBCHEM_IUPAC_NAME>
N-[(3R)-1-benzylpyrrolidin-3-yl]pyrazolo[1,5-a]pyrimidin-5-amine

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N-[(3R)-1-(phenylmethyl)pyrrolidin-3-yl]pyrazolo[1,5-a]pyrimidin-5-amine

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
[(3R)-1-benzylpyrrolidin-3-yl]-pyrazolo[1,5-a]pyrimidin-5-yl-amine

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C17H19N5/c1-2-4-14(5-3-1)12-21-10-7-15(13-21)19-16-8-11-22-17(20-16)6-9-18-22/h1-6,8-9,11,15H,7,10,12-13H2,(H,19,20)/t15-/m1/s1

> <PUBCHEM_IUPAC_INCHIKEY>
ZJVYTXWKNDTQNC-OAHLLOKOSA-N

> <PUBCHEM_XLOGP3_AA>
2.4

> <PUBCHEM_EXACT_MASS>
293.16404563

> <PUBCHEM_MOLECULAR_FORMULA>
C17H19N5

> <PUBCHEM_MOLECULAR_WEIGHT>
293.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1CN(CC1NC2=NC3=CC=NN3C=C2)CC4=CC=CC=C4

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1CN(C[C@@H]1NC2=NC3=CC=NN3C=C2)CC4=CC=CC=C4

> <PUBCHEM_CACTVS_TPSA>
45.5

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
293.16404563

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
22

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
1

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
11  13  8
11  14  8
12  15  8
13  18  8
14  19  8
15  17  8
16  21  8
18  20  8
19  20  8
6  2  5
21  22  8
3  12  8
3  16  8
4  16  8
4  17  8
4  5  8
5  22  8

$$$$