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

3
Patents

880.36206 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 881.36934 208.5
[M+Na]+ 903.35128 223.3
[M-H]- 879.35478 206.1
[M+NH4]+ 898.39588 212.9
[M+K]+ 919.32522 213.5
[M+H-H2O]+ 863.35932 192.7
[M+HCOO]- 925.36026 214.9
[M+CH3COO]- 939.37591 218.5
[M+Na-2H]- 901.33673 205.2
[M]+ 880.36151 230.8
[M]- 880.36261 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