CID 5275687

Chembl238536

Structural Information

Molecular Formula
C22H21FN6
SMILES
C1CCC(C1)NC2=CC=CC3=C(C(=NN32)C4=CC=C(C=C4)F)C5=NC(=NC=C5)N
InChI
InChI=1S/C22H21FN6/c23-15-10-8-14(9-11-15)21-20(17-12-13-25-22(24)27-17)18-6-3-7-19(29(18)28-21)26-16-4-1-2-5-16/h3,6-13,16,26H,1-2,4-5H2,(H2,24,25,27)
InChIKey
DHQDJKDJLHMFJJ-UHFFFAOYSA-N
Compound name
3-(2-aminopyrimidin-4-yl)-N-cyclopentyl-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-7-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

5
Patents

388.18118 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.18846 188.2
[M+Na]+ 411.17040 196.8
[M-H]- 387.17390 196.3
[M+NH4]+ 406.21500 197.6
[M+K]+ 427.14434 188.1
[M+H-H2O]+ 371.17844 175.4
[M+HCOO]- 433.17938 207.4
[M+CH3COO]- 447.19503 197.2
[M+Na-2H]- 409.15585 189.1
[M]+ 388.18063 185.1
[M]- 388.18173 185.1
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