CID 167350327

Glp-1 receptor agonist 14

Structural Information

Molecular Formula
C48H46F2N10O5
SMILES
C[C@H]1C2=C(N(N=C2CCN1C(=O)C3=C(N4C=CC(=CC4=C3)[C@@H]5CCOC(C5)(C)C)C6(CC6)C7=NOC(=O)N7)C8=CC(=C(C=C8)F)C9CC9)N1C=CN(C1=O)C1=C(C2=C(C=C1)N(N=C2)C)F
InChI
InChI=1S/C48H46F2N10O5/c1-26-39-36(53-60(30-7-8-35(49)32(22-30)27-5-6-27)42(39)59-19-18-58(46(59)63)38-10-9-37-34(40(38)50)25-51-55(37)4)12-17-56(26)43(61)33-23-31-21-28(29-13-20-64-47(2,3)24-29)11-16-57(31)41(33)48(14-15-48)44-52-45(62)65-54-44/h7-11,16,18-19,21-23,25-27,29H,5-6,12-15,17,20,24H2,1-4H3,(H,52,54,62)/t26-,29+/m0/s1
InChIKey
JMKBTILBGROESC-LITSAYRRSA-N
Compound name
3-[1-[2-[(4S)-2-(3-cyclopropyl-4-fluorophenyl)-3-[3-(4-fluoro-1-methylindazol-5-yl)-2-oxoimidazol-1-yl]-4-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carbonyl]-7-[(4R)-2,2-dimethyloxan-4-yl]indolizin-3-yl]cyclopropyl]-4H-1,2,4-oxadiazol-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

880.36206 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 881.369336 208.5
[M+Na]+ 903.351278 223.3
[M-H]- 879.354784 206.1
[M+NH4]+ 898.395883 212.9
[M+K]+ 919.325218 213.5
[M+H-H2O]+ 863.359320 192.7
[M+HCOO]- 925.360261 214.9
[M+CH3COO]- 939.375911 218.5
[M+Na-2H]- 901.336726 205.2
[M]+ 880.36151142 230.8
[M]- 880.36260858 230.8
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

patents stripe