CID 6481364

N-cyclopentyl-4-[2-(cyclopentylamino)pyrimidin-4-yl]-2-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyridin-7-amine

Structural Information

Molecular Formula
C28H29F3N6
SMILES
C1CCC(C1)NC2=CC=C(C3=CC(=NN23)C4=CC(=CC=C4)C(F)(F)F)C5=NC(=NC=C5)NC6CCCC6
InChI
InChI=1S/C28H29F3N6/c29-28(30,31)19-7-5-6-18(16-19)24-17-25-22(12-13-26(37(25)36-24)33-20-8-1-2-9-20)23-14-15-32-27(35-23)34-21-10-3-4-11-21/h5-7,12-17,20-21,33H,1-4,8-11H2,(H,32,34,35)
InChIKey
BBCBVMAPRXNOQG-UHFFFAOYSA-N
Compound name
N-cyclopentyl-4-[2-(cyclopentylamino)pyrimidin-4-yl]-2-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyridin-7-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

506.24057 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 507.24785 211.0
[M+Na]+ 529.22979 216.1
[M-H]- 505.23329 219.8
[M+NH4]+ 524.27439 217.1
[M+K]+ 545.20373 207.3
[M+H-H2O]+ 489.23783 196.6
[M+HCOO]- 551.23877 224.4
[M+CH3COO]- 565.25442 217.0
[M+Na-2H]- 527.21524 207.1
[M]+ 506.24002 204.5
[M]- 506.24112 204.5
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.