CID 5275686

Schembl5453421

Structural Information

Molecular Formula
C24H25FN6
SMILES
CCCCNC1=NC=CC(=N1)C2=C3C=CC=C(N3N=C2C4=CC=C(C=C4)F)NC5CC5
InChI
InChI=1S/C24H25FN6/c1-2-3-14-26-24-27-15-13-19(29-24)22-20-5-4-6-21(28-18-11-12-18)31(20)30-23(22)16-7-9-17(25)10-8-16/h4-10,13,15,18,28H,2-3,11-12,14H2,1H3,(H,26,27,29)
InChIKey
HEXZUPKPEJRFJV-UHFFFAOYSA-N
Compound name
3-[2-(butylamino)pyrimidin-4-yl]-N-cyclopropyl-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-7-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

5
Patents

416.21246 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 417.21974 202.7
[M+Na]+ 439.20168 213.0
[M-H]- 415.20518 210.3
[M+NH4]+ 434.24628 205.4
[M+K]+ 455.17562 202.3
[M+H-H2O]+ 399.20972 190.2
[M+HCOO]- 461.21066 223.2
[M+CH3COO]- 475.22631 210.5
[M+Na-2H]- 437.18713 205.9
[M]+ 416.21191 205.7
[M]- 416.21301 205.7
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

patents stripe