(4S)-4-(Dimethylamino)-1-[6-[[4-[3-(1-methylethyl)pyrazolo[1,5-a]pyridin-5-yl...
C26H30N8O
2531743-46-9 Copyright (C) 2026 ACS
 35 39  0  0  1  0  0  0  0  0999 V2000
    1.5064    4.9895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    3.8451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.6693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4490    6.9300    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   18.1174    6.1600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.7849    1.5400    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   20.7849    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.1185    2.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4468    6.9300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4468    8.4700    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9823    6.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7806    6.1600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7806    9.2400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9823    8.9459    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0771    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1143    6.9300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1143    8.4700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4479    6.1600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7816    6.9300    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.4479    4.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1154    6.1600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7816    3.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1154    4.6200    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.7827    6.1600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7827    4.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1163    6.9300    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.1163    3.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4501    6.1600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4501    4.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7838    3.8500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   18.1174    4.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7838    2.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.4511    3.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1174    1.5400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.4511    2.3100    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1 11  1  0  0  0  0
  4 21  1  0  0  0  0
  4 24  1  0  0  0  0
  5 31  2  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
 35  6  1  1  0  0  0
  9 10  1  0  0  0  0
  9 11  2  0  0  0  0
  9 12  1  0  0  0  0
 10 13  1  0  0  0  0
 10 14  1  0  0  0  0
 11 15  1  0  0  0  0
 12 16  2  0  0  0  0
 13 17  2  0  0  0  0
 14 15  2  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
 20 22  2  0  0  0  0
 21 23  2  0  0  0  0
 22 23  1  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
 25 27  1  0  0  0  0
 26 28  2  0  0  0  0
 27 29  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 30 32  1  0  0  0  0
 31 33  1  0  0  0  0
 32 34  1  0  0  0  0
 33 35  1  0  0  0  0
 34 35  1  0  0  0  0
M  END
> <cas.rn>
2531743-46-9

> <ca.index.name>
2-Piperidinone, 4-(dimethylamino)-1-[6-[[4-[3-(1-methylethyl)pyrazolo[1,5-a]pyridin-5-yl]-2-pyrimidinyl]amino]-3-pyridinyl]-, (4S)-

> <molecular.formula>
C26H30N8O

> <smiles.canonical>
O=C1N(C2=CN=C(C=C2)NC=3N=CC=C(N3)C=4C=CN5N=CC(=C5C4)C(C)C)CCC(N(C)C)C1

> <smiles.isomeric>
C(C)(C)C1=C2N(C=CC(=C2)C3=NC(NC4=CC=C(C=N4)N5C(=O)C[C@@H](N(C)C)CC5)=NC=C3)N=C1

> <molecular.weight>
470.57

> <density.predicted>
1.315±0.14 g/cm3    Temp: 25 °C; Press: 760 Torr

> <pka.predicted>
8.394±0.20    Most Basic Temp: 25 °C

$$$$
