CID 5275701

Schembl6183945

Structural Information

Molecular Formula
C28H25FN6
SMILES
C1CCC(C1)NC2=CC=CC3=C(C(=NN32)C4=CC=C(C=C4)F)C5=NC(=NC=C5)NC6=CC=CC=C6
InChI
InChI=1S/C28H25FN6/c29-20-15-13-19(14-16-20)27-26(23-17-18-30-28(33-23)32-22-7-2-1-3-8-22)24-11-6-12-25(35(24)34-27)31-21-9-4-5-10-21/h1-3,6-8,11-18,21,31H,4-5,9-10H2,(H,30,32,33)
InChIKey
OFOAKCMMBIGVCF-UHFFFAOYSA-N
Compound name
3-(2-anilinopyrimidin-4-yl)-N-cyclopentyl-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-7-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

9
Patents

464.21246 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 465.21974 205.4
[M+Na]+ 487.20168 212.1
[M-H]- 463.20518 216.2
[M+NH4]+ 482.24628 211.0
[M+K]+ 503.17562 202.1
[M+H-H2O]+ 447.20972 190.7
[M+HCOO]- 509.21066 223.8
[M+CH3COO]- 523.22631 212.7
[M+Na-2H]- 485.18713 206.2
[M]+ 464.21191 202.4
[M]- 464.21301 202.4
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