5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-3-[4-[[(2R)-4,4-difluoro-5-methylidenepyrrolidin-2-yl]methoxy]-3-methylphenyl]-1,2,4-oxadiazole;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

C69H48Cl7F13N14O8 — CID 158320596

IUPAC5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-3-[4-[[(2R)-4,4-difluoro-5-methylidenepyrrolidin-2-yl]methoxy]-3-methylphenyl]-1,2,4-oxadiazole;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
SMILESC=C1N[C@@H](COc2ccc(-c3noc(-c4cn5cc(C(F)(F)F)cc(Cl)c5n4)n3)cc2C)CC1(F)F.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
InChIInChI=1S/C23H16Cl3F4N5O3.C23H15Cl3F4N4O3.C23H17ClF5N5O2/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;1-11-5-13(3-4-18(11)35-10-15-7-22(25,26)12(2)30-15)19-32-21(36-33-19)17-9-34-8-14(23(27,28)29)6-16(24)20(34)31-17/h3-5,7,9,11H,6,8H2,1-2H3;4-6,8-9,11H,2-3,7H2,1H3;3-6,8-9,15,30H,2,7,10H2,1H3/t;;15-/m..1/s1
InChIKeyGOUKHGBNEGZAIT-INZYAJRGSA-N
MW1696.38 g/mol
LogP19.55
Rot. Bonds13

About 5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-3-[4-[[(2R)-4,4-difluoro-5-methylidenepyrrolidin-2-yl]methoxy]-3-methylphenyl]-1,2,4-oxadiazole;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-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-3-[4-[[(2R)-4,4-difluoro-5-methylidenepyrrolidin-2-yl]methoxy]-3-methylphenyl]-1,2,4-oxadiazole;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 158320596) has the molecular formula C69H48Cl7F13N14O8 and a molecular weight of 1696.38 g/mol. Its IUPAC name is 5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-3-[4-[[(2R)-4,4-difluoro-5-methylidenepyrrolidin-2-yl]methoxy]-3-methylphenyl]-1,2,4-oxadiazole;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-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-3-[4-[[(2R)-4,4-difluoro-5-methylidenepyrrolidin-2-yl]methoxy]-3-methylphenyl]-1,2,4-oxadiazole;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 CID158320596
Molecular FormulaC69H48Cl7F13N14O8
Molecular Weight1696.38 g/mol
Exact Mass1692.14
IUPAC Name5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-3-[4-[[(2R)-4,4-difluoro-5-methylidenepyrrolidin-2-yl]methoxy]-3-methylphenyl]-1,2,4-oxadiazole;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
SMILESC=C1N[C@@H](COc2ccc(-c3noc(-c4cn5cc(C(F)(F)F)cc(Cl)c5n4)n3)cc2C)CC1(F)F.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
InChIInChI=1S/C23H16Cl3F4N5O3.C23H15Cl3F4N4O3.C23H17ClF5N5O2/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;1-11-5-13(3-4-18(11)35-10-15-7-22(25,26)12(2)30-15)19-32-21(36-33-19)17-9-34-8-14(23(27,28)29)6-16(24)20(34)31-17/h3-5,7,9,11H,6,8H2,1-2H3;4-6,8-9,11H,2-3,7H2,1H3;3-6,8-9,15,30H,2,7,10H2,1H3/t;;15-/m..1/s1
InChIKeyGOUKHGBNEGZAIT-INZYAJRGSA-N
XLogP19.55
TPSA245.76 Ų
H-Bond Donors1
H-Bond Acceptors21
Rotatable Bonds13
Heavy Atoms111
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001696.38
LogP ≤ 519.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1021

Analyze 5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-3-[4-[[(2R)-4,4-difluoro-5-methylidenepyrrolidin-2-yl]methoxy]-3-methylphenyl]-1,2,4-oxadiazole;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 5
CID 129143184
US10683291, Example 6
CID 129143228
5-[2,5-Dichloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]-3,3-difluoropiperidin-2-one
CID 129143060
5-[2,5-Dichloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]-3,3-difluoro-1-methylpiperidin-2-one
CID 129143063
(5S)-5-[2,5-dichloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]-1-methylpiperidin-2-one
CID 129143226
(5S)-5-[2,5-dichloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]piperidin-2-one
CID 129143227
5-[2,5-Dichloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]-1-methylpiperidin-2-one
CID 129143230
(5R)-5-[2,5-dichloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]-3,3-difluoro-1-methylpiperidin-2-one
CID 129143233
(5R)-5-[2,5-dichloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]-3,3-difluoropiperidin-2-one
CID 129143234
(5S)-5-[2,5-dichloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]-3,3-difluoropiperidin-2-one
CID 129143236
(5S)-5-[2,5-dichloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]-3,3-difluoro-1-methylpiperidin-2-one
CID 129143238

Frequently Asked Questions

What is the IUPAC name of 5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-3-[4-[[(2R)-4,4-difluoro-5-methylidenepyrrolidin-2-yl]methoxy]-3-methylphenyl]-1,2,4-oxadiazole;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-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-3-[4-[[(2R)-4,4-difluoro-5-methylidenepyrrolidin-2-yl]methoxy]-3-methylphenyl]-1,2,4-oxadiazole;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 158320596) is 5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-3-[4-[[(2R)-4,4-difluoro-5-methylidenepyrrolidin-2-yl]methoxy]-3-methylphenyl]-1,2,4-oxadiazole;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-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-3-[4-[[(2R)-4,4-difluoro-5-methylidenepyrrolidin-2-yl]methoxy]-3-methylphenyl]-1,2,4-oxadiazole;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-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-3-[4-[[(2R)-4,4-difluoro-5-methylidenepyrrolidin-2-yl]methoxy]-3-methylphenyl]-1,2,4-oxadiazole;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 C=C1N[C@@H](COc2ccc(-c3noc(-c4cn5cc(C(F)(F)F)cc(Cl)c5n4)n3)cc2C)CC1(F)F.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-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-3-[4-[[(2R)-4,4-difluoro-5-methylidenepyrrolidin-2-yl]methoxy]-3-methylphenyl]-1,2,4-oxadiazole;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 GOUKHGBNEGZAIT-INZYAJRGSA-N. The full InChI is InChI=1S/C23H16Cl3F4N5O3.C23H15Cl3F4N4O3.C23H17ClF5N5O2/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;1-11-5-13(3-4-18(11)35-10-15-7-22(25,26)12(2)30-15)19-32-21(36-33-19)17-9-34-8-14(23(27,28)29)6-16(24)20(34)31-17/h3-5,7,9,11H,6,8H2,1-2H3;4-6,8-9,11H,2-3,7H2,1H3;3-6,8-9,15,30H,2,7,10H2,1H3/t;;15-/m..1/s1.
What are the key properties of 5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-3-[4-[[(2R)-4,4-difluoro-5-methylidenepyrrolidin-2-yl]methoxy]-3-methylphenyl]-1,2,4-oxadiazole;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-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-3-[4-[[(2R)-4,4-difluoro-5-methylidenepyrrolidin-2-yl]methoxy]-3-methylphenyl]-1,2,4-oxadiazole;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 1696.38 g/mol, XLogP of 19.55, 13 rotatable bonds, 1 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-3-[4-[[(2R)-4,4-difluoro-5-methylidenepyrrolidin-2-yl]methoxy]-3-methylphenyl]-1,2,4-oxadiazole;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 158320596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).