6′-[[(1S,3S)-3-[[5-(Difluoromethoxy)-2-pyrimidinyl]amino]cyclopentyl]amino][1...
C20H20F2N6O2
2455427-91-3 Copyright (C) 2025 ACS
 30 33  0  0  1  0  0  0  0  0999 V2000
    1.3337    6.4256    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0021    7.1956    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.3049    6.0685    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.9256    1.0849    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.4572    1.2459    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3624    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   19.0837    2.6527    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.0011    4.8856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0011    6.4256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3348    4.1156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3348    7.1956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6685    4.8856    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6685    6.4256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6673    4.1156    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3337    4.8856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6673    2.5755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3337    1.8055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.5755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3359    6.4256    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.7427    7.0521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4969    4.8940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7732    5.9075    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.0032    4.5739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2100    4.8226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7417    4.9837    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.5836    3.4158    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.6469    3.7376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4889    2.1699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0204    2.3308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 15  2  0  0  0  0
  2 13  1  0  0  0  0
 20  2  1  6  0  0  0
 23  3  1  1  0  0  0
  3 25  1  0  0  0  0
  4  5  1  0  0  0  0
  4 30  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  2  0  0  0  0
  8 14  1  0  0  0  0
  9 11  2  0  0  0  0
 10 12  1  0  0  0  0
 11 13  1  0  0  0  0
 12 13  2  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  2  0  0  0  0
 17 19  2  0  0  0  0
 18 19  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 21 23  1  0  0  0  0
 22 24  1  0  0  0  0
 23 24  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  2  0  0  0  0
 26 28  2  0  0  0  0
 27 29  1  0  0  0  0
 28 30  1  0  0  0  0
 29 30  2  0  0  0  0
M  END
> <cas.rn>
2455427-91-3

> <cas.index.name>
[1(2H),3′-Bipyridin]-2-one, 6′-[[(1S,3S)-3-[[5-(difluoromethoxy)-2-pyrimidinyl]amino]cyclopentyl]amino]-

> <molecular.formula>
C20H20F2N6O2

> <molecular.weight>
414.41

> <boiling.point.predicted>
658.358±65.00 °C    Press: 760.00 Torr

> <density.predicted>
1.434±0.06 g/cm3    Temp: 25 °C; Press: 760 Torr

> <pka.predicted>
5.916±0.10    Most Basic Temp: 25 °C

$$$$
