5-[2,5-dichloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]-3-fluoro-1,3-dimethylpiperidin-2-one;4-[2,5-dichloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]-2-fluoro-2-methylcyclohexan-1-one

C46H31Cl6F8N9O6 — CID 159873458

IUPAC5-[2,5-dichloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]-3-fluoro-1,3-dimethylpiperidin-2-one;4-[2,5-dichloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]-2-fluoro-2-methylcyclohexan-1-one
SMILESCC1(F)CC(Oc2cc(Cl)c(-c3noc(-c4cn5cc(C(F)(F)F)cc(Cl)c5n4)n3)cc2Cl)CCC1=O.CN1CC(Oc2cc(Cl)c(-c3noc(-c4cn5cc(C(F)(F)F)cc(Cl)c5n4)n3)cc2Cl)CC(C)(F)C1=O
InChIInChI=1S/C23H16Cl3F4N5O3.C23H15Cl3F4N4O3/c1-22(27)6-11(8-34(2)21(22)36)37-17-5-13(24)12(4-14(17)25)18-32-20(38-33-18)16-9-35-7-10(23(28,29)30)3-15(26)19(35)31-16;1-22(27)7-11(2-3-18(22)35)36-17-6-13(24)12(5-14(17)25)19-32-21(37-33-19)16-9-34-8-10(23(28,29)30)4-15(26)20(34)31-16/h3-5,7,9,11H,6,8H2,1-2H3;4-6,8-9,11H,2-3,7H2,1H3
InChIKeyNSPIISFUZRYQPI-UHFFFAOYSA-N
MW1170.51 g/mol
LogP13.63
Rot. Bonds8

About 5-[2,5-dichloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]-3-fluoro-1,3-dimethylpiperidin-2-one;4-[2,5-dichloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]-2-fluoro-2-methylcyclohexan-1-one

5-[2,5-dichloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]-3-fluoro-1,3-dimethylpiperidin-2-one;4-[2,5-dichloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]-2-fluoro-2-methylcyclohexan-1-one (PubChem CID 159873458) has the molecular formula C46H31Cl6F8N9O6 and a molecular weight of 1170.51 g/mol. Its IUPAC name is 5-[2,5-dichloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]-3-fluoro-1,3-dimethylpiperidin-2-one;4-[2,5-dichloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]-2-fluoro-2-methylcyclohexan-1-one.

Molecular Properties

Compound Name5-[2,5-dichloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]-3-fluoro-1,3-dimethylpiperidin-2-one;4-[2,5-dichloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]-2-fluoro-2-methylcyclohexan-1-one
PubChem CID159873458
Molecular FormulaC46H31Cl6F8N9O6
Molecular Weight1170.51 g/mol
Exact Mass1167.04
IUPAC Name5-[2,5-dichloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]-3-fluoro-1,3-dimethylpiperidin-2-one;4-[2,5-dichloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]-2-fluoro-2-methylcyclohexan-1-one
SMILESCC1(F)CC(Oc2cc(Cl)c(-c3noc(-c4cn5cc(C(F)(F)F)cc(Cl)c5n4)n3)cc2Cl)CCC1=O.CN1CC(Oc2cc(Cl)c(-c3noc(-c4cn5cc(C(F)(F)F)cc(Cl)c5n4)n3)cc2Cl)CC(C)(F)C1=O
InChIInChI=1S/C23H16Cl3F4N5O3.C23H15Cl3F4N4O3/c1-22(27)6-11(8-34(2)21(22)36)37-17-5-13(24)12(4-14(17)25)18-32-20(38-33-18)16-9-35-7-10(23(28,29)30)3-15(26)19(35)31-16;1-22(27)7-11(2-3-18(22)35)36-17-6-13(24)12(5-14(17)25)19-32-21(37-33-19)16-9-34-8-10(23(28,29)30)4-15(26)20(34)31-16/h3-5,7,9,11H,6,8H2,1-2H3;4-6,8-9,11H,2-3,7H2,1H3
InChIKeyNSPIISFUZRYQPI-UHFFFAOYSA-N
XLogP13.63
TPSA168.28 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds8
Heavy Atoms75
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001170.51
LogP ≤ 513.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Analyze 5-[2,5-dichloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]-3-fluoro-1,3-dimethylpiperidin-2-one;4-[2,5-dichloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]-2-fluoro-2-methylcyclohexan-1-one with MolForge

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Related Compounds

Tamuzimod
CID 129143185
US10683291, Example 1
CID 129117578
US10683291, Example 5
CID 129143184
US10683291, Example 6
CID 129143228
1-[2,5-Dichloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]-2-methylpropan-2-ol
CID 46234693
8-chloro-2-{3-[2,5-dichloro-4-({[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl}oxy)phenyl]-1,2,4-oxadiazol-5yl}-6-(trifluoromethyl)imidazo[1,2-a]pyridine
CID 46234697
2-[2,5-Dichloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]acetaldehyde
CID 46235001
(4R)-4-[[2,5-dichloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]methyl]-2-[(2-methylpropan-2-yl)oxy]-1,3,2lambda5-dioxaphospholane 2-oxide
CID 46235154
1-(Tert-butyldimethylsilyloxy)-3-(2,5-dichloro-4-(5-(8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl)-1,2,4-oxadiazol-3-yl)phenoxy)propan-2-one
CID 46235156
5-(8-Chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl)-3-(2,5-dichloro-4-(2-phenyl-1,3-dioxan-5-yloxy)phenyl)-1,2,4-oxadiazole
CID 46235158
[(2S)-1-[2,5-dichloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]propan-2-yl] dihydrogen phosphate
CID 46235453
3-[(2,5-Dichloro-4-{5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl}phenyl)oxy]-1,1,1-trifluoropropan-2-one
CID 46235454

Frequently Asked Questions

What is the IUPAC name of 5-[2,5-dichloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]-3-fluoro-1,3-dimethylpiperidin-2-one;4-[2,5-dichloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]-2-fluoro-2-methylcyclohexan-1-one?
The IUPAC name of 5-[2,5-dichloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]-3-fluoro-1,3-dimethylpiperidin-2-one;4-[2,5-dichloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]-2-fluoro-2-methylcyclohexan-1-one (CID 159873458) is 5-[2,5-dichloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]-3-fluoro-1,3-dimethylpiperidin-2-one;4-[2,5-dichloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]-2-fluoro-2-methylcyclohexan-1-one.
What is the SMILES notation for 5-[2,5-dichloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]-3-fluoro-1,3-dimethylpiperidin-2-one;4-[2,5-dichloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]-2-fluoro-2-methylcyclohexan-1-one?
The canonical SMILES for 5-[2,5-dichloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]-3-fluoro-1,3-dimethylpiperidin-2-one;4-[2,5-dichloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]-2-fluoro-2-methylcyclohexan-1-one is CC1(F)CC(Oc2cc(Cl)c(-c3noc(-c4cn5cc(C(F)(F)F)cc(Cl)c5n4)n3)cc2Cl)CCC1=O.CN1CC(Oc2cc(Cl)c(-c3noc(-c4cn5cc(C(F)(F)F)cc(Cl)c5n4)n3)cc2Cl)CC(C)(F)C1=O.
What is the InChIKey of 5-[2,5-dichloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]-3-fluoro-1,3-dimethylpiperidin-2-one;4-[2,5-dichloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]-2-fluoro-2-methylcyclohexan-1-one?
The InChIKey is NSPIISFUZRYQPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16Cl3F4N5O3.C23H15Cl3F4N4O3/c1-22(27)6-11(8-34(2)21(22)36)37-17-5-13(24)12(4-14(17)25)18-32-20(38-33-18)16-9-35-7-10(23(28,29)30)3-15(26)19(35)31-16;1-22(27)7-11(2-3-18(22)35)36-17-6-13(24)12(5-14(17)25)19-32-21(37-33-19)16-9-34-8-10(23(28,29)30)4-15(26)20(34)31-16/h3-5,7,9,11H,6,8H2,1-2H3;4-6,8-9,11H,2-3,7H2,1H3.
What are the key properties of 5-[2,5-dichloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]-3-fluoro-1,3-dimethylpiperidin-2-one;4-[2,5-dichloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]-2-fluoro-2-methylcyclohexan-1-one?
5-[2,5-dichloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]-3-fluoro-1,3-dimethylpiperidin-2-one;4-[2,5-dichloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]-2-fluoro-2-methylcyclohexan-1-one has a molecular weight of 1170.51 g/mol, XLogP of 13.63, 8 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2,5-dichloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]-3-fluoro-1,3-dimethylpiperidin-2-one;4-[2,5-dichloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]-2-fluoro-2-methylcyclohexan-1-one is sourced from PubChem (CID 159873458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).