CID 170995116

Chembl5532099

Structural Information

Molecular Formula
C23H20N6O
SMILES
CC1=NC=C(C=C1)N2C3=C(NN=C3C=C(C2=O)C4=CC5=CN(N=C5C=C4)C)C6CC6
InChI
InChI=1S/C23H20N6O/c1-13-3-7-17(11-24-13)29-22-20(25-26-21(22)14-4-5-14)10-18(23(29)30)15-6-8-19-16(9-15)12-28(2)27-19/h3,6-12,14H,4-5H2,1-2H3,(H,25,26)
InChIKey
FXFWSZOXZYQPQZ-UHFFFAOYSA-N
Compound name
3-cyclopropyl-6-(2-methylindazol-5-yl)-4-(6-methyl-3-pyridinyl)-2H-pyrazolo[4,3-b]pyridin-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

396.16986 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.177136 210.5
[M+Na]+ 419.159078 225.9
[M-H]- 395.162584 218.3
[M+NH4]+ 414.203683 214.3
[M+K]+ 435.133018 213.7
[M+H-H2O]+ 379.167120 199.9
[M+HCOO]- 441.168061 227.4
[M+CH3COO]- 455.183711 219.0
[M+Na-2H]- 417.144526 209.5
[M]+ 396.16931142 216.3
[M]- 396.17040858 216.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.