CID 6481374

Ethyl 2-[4-[7-(cyclopentylamino)-4-[2-(cyclopentylamino)pyrimidin-4-yl]pyrazolo[1,5-a]pyridin-2-yl]phenoxy]acetate

Structural Information

Molecular Formula
C31H36N6O3
SMILES
CCOC(=O)COC1=CC=C(C=C1)C2=NN3C(=CC=C(C3=C2)C4=NC(=NC=C4)NC5CCCC5)NC6CCCC6
InChI
InChI=1S/C31H36N6O3/c1-2-39-30(38)20-40-24-13-11-21(12-14-24)27-19-28-25(15-16-29(37(28)36-27)33-22-7-3-4-8-22)26-17-18-32-31(35-26)34-23-9-5-6-10-23/h11-19,22-23,33H,2-10,20H2,1H3,(H,32,34,35)
InChIKey
VPJARMIMQFAOFF-UHFFFAOYSA-N
Compound name
ethyl 2-[4-[7-(cyclopentylamino)-4-[2-(cyclopentylamino)pyrimidin-4-yl]pyrazolo[1,5-a]pyridin-2-yl]phenoxy]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

540.2849 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 541.29218 219.8
[M+Na]+ 563.27412 221.5
[M-H]- 539.27762 231.8
[M+NH4]+ 558.31872 223.8
[M+K]+ 579.24806 215.8
[M+H-H2O]+ 523.28216 207.1
[M+HCOO]- 585.28310 236.3
[M+CH3COO]- 599.29875 225.4
[M+Na-2H]- 561.25957 214.9
[M]+ 540.28435 219.5
[M]- 540.28545 219.5
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.