
 CHEMBL291957

 50 53  0  0  0  0  0  0  0  0999 V2000
   -0.9150    2.5765   -2.1231 C   0  0  0  0  0
    0.3522    2.0310   -2.7788 C   0  0  0  0  0
    0.8074    2.9329   -3.9289 C   0  0  0  0  0
    1.3960    1.8151   -1.7778 N   0  0  0  0  0
    1.6171    0.6556   -1.0717 C   0  0  0  0  0
    0.9871   -0.5988   -1.0874 C   0  0  0  0  0
    1.4745   -1.5824   -0.2206 C   0  0  0  0  0
    2.5473   -1.3236    0.6287 C   0  0  0  0  0
    3.1638   -0.0679    0.6355 C   0  0  0  0  0
    2.6879    0.9393   -0.2275 C   0  0  0  0  0
    3.0366    2.2922   -0.5050 C   0  0  0  0  0
    2.2275    2.8268   -1.4448 N   0  0  0  0  0
    4.1262    3.0754    0.1010 C   0  0  0  0  0
    4.8310    2.6587    1.0142 O   0  0  0  0  0
    4.2788    4.3214   -0.4738 N   0  0  0  0  0
    5.2646    5.2957   -0.0235 C   0  0  0  0  0
    5.7673    6.1597   -1.1962 C   0  0  0  0  0
    5.0458    7.5115   -1.3399 C   0  0  0  0  0
    3.5434    7.3551   -1.5813 C   0  0  0  0  0
    2.9329    7.3099   -0.1819 C   0  0  0  0  0
    4.1252    7.4735    0.7650 C   0  0  0  0  0
    4.7435    6.1233    1.1682 C   0  0  0  0  0
    5.1468    8.1775   -0.0307 N   0  0  0  0  0
    4.9135    9.6177   -0.1067 C   0  0  0  0  0
   -1.2715    1.9023   -1.3366 H   0  0  0  0  0
   -1.7176    2.6855   -2.8598 H   0  0  0  0  0
   -0.7378    3.5554   -1.6641 H   0  0  0  0  0
    0.1290    1.0477   -3.2097 H   0  0  0  0  0
    0.9999    3.9570   -3.5900 H   0  0  0  0  0
    0.0390    2.9792   -4.7080 H   0  0  0  0  0
    1.7276    2.5517   -4.3853 H   0  0  0  0  0
    0.1498   -0.8126   -1.7435 H   0  0  0  0  0
    1.0080   -2.5653   -0.2097 H   0  0  0  0  0
    2.9113   -2.1023    1.2949 H   0  0  0  0  0
    4.0005    0.1271    1.3024 H   0  0  0  0  0
    3.5719    4.5535   -1.1661 H   0  0  0  0  0
    6.1153    4.7020    0.3359 H   0  0  0  0  0
    5.7101    5.6027   -2.1399 H   0  0  0  0  0
    6.8335    6.3675   -1.0279 H   0  0  0  0  0
    5.5270    8.0816   -2.1430 H   0  0  0  0  0
    3.1498    8.2258   -2.1199 H   0  0  0  0  0
    3.2934    6.4709   -2.1744 H   0  0  0  0  0
    2.2321    8.1454   -0.0649 H   0  0  0  0  0
    2.3719    6.3869   -0.0056 H   0  0  0  0  0
    3.8483    8.0187    1.6749 H   0  0  0  0  0
    5.5930    6.3297    1.8343 H   0  0  0  0  0
    4.0232    5.5464    1.7612 H   0  0  0  0  0
    5.6870   10.0904   -0.7222 H   0  0  0  0  0
    4.9921   10.0631    0.8911 H   0  0  0  0  0
    3.9375    9.8881   -0.5224 H   0  0  0  0  0
  1  2  1  0  0  0
  1 25  1  0  0  0
  1 26  1  0  0  0
  1 27  1  0  0  0
  2  4  1  0  0  0
  2  3  1  0  0  0
  2 28  1  0  0  0
  3 29  1  0  0  0
  3 30  1  0  0  0
  3 31  1  0  0  0
  4 12  1  0  0  0
  4  5  1  0  0  0
  5 10  1  0  0  0
  5  6  2  0  0  0
  6  7  1  0  0  0
  6 32  1  0  0  0
  7  8  2  0  0  0
  7 33  1  0  0  0
  8  9  1  0  0  0
  8 34  1  0  0  0
  9 10  2  0  0  0
  9 35  1  0  0  0
 10 11  1  0  0  0
 11 12  2  0  0  0
 11 13  1  0  0  0
 13 15  1  0  0  0
 13 14  2  0  0  0
 15 16  1  0  0  0
 15 36  1  0  0  0
 16 22  1  0  0  0
 16 17  1  0  0  0
 16 37  1  0  0  0
 17 18  1  0  0  0
 17 38  1  0  0  0
 17 39  1  0  0  0
 18 19  1  0  0  0
 18 23  1  0  0  0
 18 40  1  0  0  0
 19 20  1  0  0  0
 19 41  1  0  0  0
 19 42  1  0  0  0
 20 21  1  0  0  0
 20 43  1  0  0  0
 20 44  1  0  0  0
 21 22  1  0  0  0
 21 23  1  0  0  0
 21 45  1  0  0  0
 22 46  1  0  0  0
 22 47  1  0  0  0
 23 24  1  0  0  0
 24 48  1  0  0  0
 24 49  1  0  0  0
 24 50  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL291957

>  <PubChem CID>
44301583

>  <Formula>
C19H26N4O

>  <Molecular Weight>
326.444000

>  <IUPAC Name>
N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1-propan-2-ylindazole-3-carboxamide

>  <XlogP>
3.1

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CC(C)N1C2=CC=CC=C2C(=N1)C(=O)NC3CC4CCC(C3)N4C

>  <Isomeric SMILES>
CC(C)N1C2=CC=CC=C2C(=N1)C(=O)NC3CC4CCC(C3)N4C

>  <InChI Std. ID>
InChI=1S/C19H26N4O/c1-12(2)23-17-7-5-4-6-16(17)18(21-23)19(24)20-13-10-14-8-9-15(11-13)22(14)3/h4-7,12-15H,8-11H2,1-3H3,(H,20,24)

>  <InChI Key>
CSIOHIAJNDTLQF-UHFFFAOYSA-N

