7H-Furo[4,3,2-gh][1,2,4]triazolo[4′,3′:1,6]pyrido[2,3-c][5,2]benzoxazonine, 1...
C22H18FN5O2
2490676-18-9 Copyright (C) 2025 ACS
 31 36  0  0  1  0  0  0  0  0999 V2000
    1.0498    2.9366    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   10.9583    6.3708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8354    6.6145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6428    5.0711    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0776    7.5594    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.5888    7.5260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4385    3.7702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2325    4.4658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6014    7.5110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5833    9.0099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0428    8.9916    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1766    6.9194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8678    3.2074    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.3895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7997    6.5512    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3383    3.7034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1083    5.0372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1083    2.3698    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.6483    5.0372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6483    2.3698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6325    0.9052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4183    3.7034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1242    0.9052    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.8783    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9583    3.7034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7283    5.0372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7283    2.3698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2683    5.0372    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.2683    2.3698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0383    3.7034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9936    8.7974    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  2 26  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3  6  2  0  0  0  0
  4  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 31  1  6  0  0  0
  6 11  1  0  0  0  0
  6 12  1  0  0  0  0
  7 13  1  0  0  0  0
  8 14  1  0  0  0  0
  9 15  1  0  0  0  0
 10 11  1  0  0  0  0
 12 14  2  0  0  0  0
 13 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
 18 21  1  0  0  0  0
 19 22  2  0  0  0  0
 20 22  1  0  0  0  0
 20 23  2  0  0  0  0
 21 24  2  0  0  0  0
 22 25  1  0  0  0  0
 23 24  1  0  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
 26 28  1  0  0  0  0
 27 29  2  0  0  0  0
 28 30  2  0  0  0  0
 29 30  1  0  0  0  0
M  END
> <cas.rn>
2490676-18-9

> <ca.index.name>
7H-Furo[4,3,2-gh][1,2,4]triazolo[4′,3′:1,6]pyrido[2,3-c][5,2]benzoxazonine, 12-fluoro-7a,8,13,14-tetrahydro-4-(2-methyl-3-pyridinyl)-, (7aS)-

> <molecular.formula>
C22H18FN5O2

> <smiles.canonical>
FC1=CC=C2OCC3C2=C1CNC4=C(OC3)C=C(C5=NN=CN54)C=6C=CC=NC6C

> <smiles.isomeric>
FC1=C2C=3[C@](COC4=C(NC2)N5C(C(=C4)C6=C(C)N=CC=C6)=NN=C5)(COC3C=C1)[H]

> <molecular.weight>
403.41

> <density.predicted>
1.551±0.14 g/cm3    Temp: 25 °C; Press: 760 Torr

> <pka.predicted>
3.092±0.20    Most Basic Temp: 25 °C

$$$$
