CID 15958178

4-amino-3-[[7-cyclohexyl-6-(2,4-difluorophenyl)pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]-4-oxo-butanoic acid

Structural Information

Molecular Formula
C23H23F2N5O4
SMILES
C1CCC(CC1)C2=C(C=NC3=C(C=NN23)C(=O)NC(CC(=O)O)C(=O)N)C4=C(C=C(C=C4)F)F
InChI
InChI=1S/C23H23F2N5O4/c24-13-6-7-14(17(25)8-13)15-10-27-22-16(23(34)29-18(21(26)33)9-19(31)32)11-28-30(22)20(15)12-4-2-1-3-5-12/h6-8,10-12,18H,1-5,9H2,(H2,26,33)(H,29,34)(H,31,32)
InChIKey
YVCPUPZMRHNPPT-UHFFFAOYSA-N
Compound name
4-amino-3-[[7-cyclohexyl-6-(2,4-difluorophenyl)pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]-4-oxobutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

471.1718 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 472.17908 206.9
[M+Na]+ 494.16102 211.0
[M-H]- 470.16452 209.5
[M+NH4]+ 489.20562 211.1
[M+K]+ 510.13496 205.6
[M+H-H2O]+ 454.16906 194.5
[M+HCOO]- 516.17000 218.2
[M+CH3COO]- 530.18565 239.5
[M+Na-2H]- 492.14647 202.8
[M]+ 471.17125 202.0
[M]- 471.17235 202.0
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.