(αS)-N,α-Dimethyl-N-[2-(4,5,6,7-tetrahydro-6,6-dimethyl-1H-indazol-3-yl)-1H-i...
C25H33N5O2
1309784-09-5 Copyright (C) 2025 ACS
 32 36  0  0  1  0  0  0  0  0999 V2000
    0.0000    1.4713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6440    6.3719    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.9778    5.6019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6440    7.9119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3115    6.3719    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   13.9778    4.0619    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.3115    7.9119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7332    4.8319    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8280    3.5860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8280    6.0778    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3634    4.0619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1481    2.0796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3634    5.6019    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2189    3.0313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0038    1.0492    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5391    1.5251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2732    4.8319    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1784    6.0778    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1784    3.5860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6431    5.6019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6431    4.0619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9767    6.3719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9767    3.2919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3104    5.6019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3104    4.0619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6451    5.6019    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.6451    4.0619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9787    6.3719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9787    3.2919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3125    5.6019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3125    4.0619    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1 17  1  0  0  0  0
  2 17  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3 25  1  0  0  0  0
  4  6  1  0  0  0  0
  4  7  2  0  0  0  0
  6  8  1  6  0  0  0
  6 27  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  2  0  0  0  0
  9 18  1  0  0  0  0
 10 12  2  0  0  0  0
 10 13  1  0  0  0  0
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 12 14  1  0  0  0  0
 12 15  1  0  0  0  0
 13 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 17  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  2  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  2  0  0  0  0
 22 24  2  0  0  0  0
 23 25  1  0  0  0  0
 24 26  1  0  0  0  0
 25 26  2  0  0  0  0
 27 28  1  0  0  0  0
 27 29  1  0  0  0  0
 28 30  1  0  0  0  0
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 30 32  1  0  0  0  0
 31 32  1  0  0  0  0
M  END
> <cas.rn>
1309784-09-5

> <ca.index.name>
4-Morpholineacetamide, N,α-dimethyl-N-[2-(4,5,6,7-tetrahydro-6,6-dimethyl-1H-indazol-3-yl)-1H-indol-6-yl]-, (αS)-

> <molecular.formula>
C25H33N5O2

> <smiles.canonical>
O=C(N(C=1C=CC=2C=C(NC2C1)C3=NNC4=C3CCC(C)(C)C4)C)C(N5CCOCC5)C

> <smiles.isomeric>
CC1(C)CC2=C(C(=NN2)C=3NC=4C(C3)=CC=C(N(C([C@H](C)N5CCOCC5)=O)C)C4)CC1

> <molecular.weight>
435.56

> <boiling.point.predicted>
681.192±55.00 °C    Press: 760.00 Torr

> <density.predicted>
1.228±0.06 g/cm3    Temp: 25 °C; Press: 760 Torr

> <pka.predicted>
15.391±0.40    Most Acidic Temp: 25 °C

$$$$
