4-[(1R)-1-Aminopropyl]-2-[6-[(5S)-6,7-dihydro-5-methyl-5H-pyrrolo[2,1-c]-1,2,...
C26H32N8O
2736458-30-1 Copyright (C) 2024 ACS
 35 40  0  0  1  0  0  0  0  0999 V2000
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    8.5299    2.6673    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.9899    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9301    9.3193    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9406    8.0454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5425   10.5535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9899    5.3348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2198    6.6685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2198    4.0011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4963    5.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2504    7.8130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   16.4294    6.6685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   15.6594    5.3348    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   17.8363    7.2948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.6753    8.8265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  6  0  0  0
  1 10  1  0  0  0  0
  2  4  1  0  0  0  0
  5 12  2  0  0  0  0
 24  6  1  1  0  0  0
 32  7  1  1  0  0  0
  8  9  1  0  0  0  0
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 34 35  1  0  0  0  0
M  END
> <cas.rn>
2736458-30-1

> <cas.index.name>
1H-Pyrrolo[3,4-c]pyridin-1-one, 4-[(1R)-1-aminopropyl]-2-[6-[(5S)-6,7-dihydro-5-methyl-5H-pyrrolo[2,1-c]-1,2,4-triazol-3-yl]-2-pyridinyl]-2,3-dihydro-6-[(2R)-2-methyl-1-pyrrolidinyl]-

> <molecular.formula>
C26H32N8O

> <molecular.weight>
472.59

> <boiling.point.predicted>
763.751±70.00 °C    Press: 760.00 Torr

> <density.predicted>
1.467±0.14 g/cm3    Temp: 25 °C; Press: 760 Torr

> <pka.predicted>
7.951±0.29    Most Basic Temp: 25 °C

$$$$
