
 CHEMBL201878

 40 43  0  0  0  0  0  0  0  0999 V2000
   -1.9826    0.0896    0.6892 C   0  0  0  0  0
   -1.2658    1.3239    0.1741 C   0  0  0  0  0
   -0.1340    0.7984   -0.7202 C   0  0  0  0  0
    1.2647    1.0094   -0.1412 C   0  0  0  0  0
    1.4245   -0.1881    0.7867 C   0  0  0  0  0
    0.6875   -1.3063    0.0670 C   0  0  0  0  0
   -0.3155   -0.6732   -0.8113 N   0  0  0  0  0
   -1.6924   -0.9440   -0.3786 C   0  0  0  0  0
    2.3271    1.0266   -1.2517 C   0  0  0  0  0
    3.6522    1.0946   -0.7012 O   0  0  0  0  0
    4.0908    2.3299   -0.3137 C   0  0  0  0  0
    3.4189    3.3538   -0.4124 O   0  0  0  0  0
    5.4477    2.3033    0.2537 C   0  0  0  0  0
    6.1941    1.1790    0.3060 N   0  0  0  0  0
    7.3416    1.5695    0.8797 N   0  0  0  0  0
    7.3837    2.8922    1.2180 C   0  0  0  0  0
    8.3788    3.6616    1.8288 C   0  0  0  0  0
    8.0976    5.0151    2.0402 C   0  0  0  0  0
    6.8762    5.5660    1.6541 C   0  0  0  0  0
    5.8953    4.7761    1.0418 C   0  0  0  0  0
    6.1560    3.4092    0.8199 C   0  0  0  0  0
   -1.5630   -0.2188    1.6537 H   0  0  0  0  0
   -3.0544    0.2615    0.8249 H   0  0  0  0  0
   -0.9235    1.9624    0.9943 H   0  0  0  0  0
   -1.9623    1.9130   -0.4357 H   0  0  0  0  0
   -0.2245    1.2545   -1.7133 H   0  0  0  0  0
    1.3375    1.9356    0.4392 H   0  0  0  0  0
    2.4660   -0.4476    0.9980 H   0  0  0  0  0
    0.9349    0.0219    1.7456 H   0  0  0  0  0
    1.3897   -1.8571   -0.5697 H   0  0  0  0  0
    0.2717   -2.0293    0.7778 H   0  0  0  0  0
   -2.3627   -0.7928   -1.2338 H   0  0  0  0  0
   -1.8477   -1.9705   -0.0300 H   0  0  0  0  0
    2.1617    1.8621   -1.9433 H   0  0  0  0  0
    2.2875    0.1140   -1.8562 H   0  0  0  0  0
    8.0680    0.8754    1.0183 H   0  0  0  0  0
    9.3299    3.2349    2.1300 H   0  0  0  0  0
    8.8446    5.6487    2.5140 H   0  0  0  0  0
    6.6802    6.6215    1.8295 H   0  0  0  0  0
    4.9465    5.2165    0.7453 H   0  0  0  0  0
  1  8  1  0  0  0
  1  2  1  0  0  0
  1 22  1  0  0  0
  1 23  1  0  0  0
  2  3  1  0  0  0
  2 24  1  0  0  0
  2 25  1  0  0  0
  3  7  1  0  0  0
  3  4  1  0  0  0
  3 26  1  0  0  0
  4  5  1  0  0  0
  4  9  1  0  0  0
  4 27  1  0  0  0
  5  6  1  0  0  0
  5 28  1  0  0  0
  5 29  1  0  0  0
  6  7  1  0  0  0
  6 30  1  0  0  0
  6 31  1  0  0  0
  7  8  1  0  0  0
  8 32  1  0  0  0
  8 33  1  0  0  0
  9 10  1  0  0  0
  9 34  1  0  0  0
  9 35  1  0  0  0
 10 11  1  0  0  0
 11 13  1  0  0  0
 11 12  2  0  0  0
 13 21  1  0  0  0
 13 14  2  0  0  0
 14 15  1  0  0  0
 15 16  1  0  0  0
 15 36  1  0  0  0
 16 21  1  0  0  0
 16 17  2  0  0  0
 17 18  1  0  0  0
 17 37  1  0  0  0
 18 19  2  0  0  0
 18 38  1  0  0  0
 19 20  1  0  0  0
 19 39  1  0  0  0
 20 21  2  0  0  0
 20 40  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL201878

>  <PubChem CID>
11508052

>  <Formula>
C16H19N3O2

>  <Molecular Weight>
285.347000

>  <IUPAC Name>
[(1R,8S)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]methyl 1H-indazole-3-carboxylate

>  <XlogP>
2.7

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
C1CC2C(CCN2C1)COC(=O)C3=NNC4=CC=CC=C43

>  <Isomeric SMILES>
C1C[C@H]2[C@@H](CCN2C1)COC(=O)C3=NNC4=CC=CC=C43

>  <InChI Std. ID>
InChI=1S/C16H19N3O2/c20-16(15-12-4-1-2-5-13(12)17-18-15)21-10-11-7-9-19-8-3-6-14(11)19/h1-2,4-5,11,14H,3,6-10H2,(H,17,18)/t11-,14-/m0/s1

>  <InChI Key>
DJPQWKJCTULKTC-FZMZJTMJSA-N

