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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.