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

C136H93Cl12F29N30O13 — CID 158251019

IUPAC3-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-5-[2,5-dichloro-4-[[(2R)-4,4-difluoro-5-methylidenepyrrolidin-2-yl]methoxy]phenyl]-1,2,4-oxadiazole;3-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-5-[2,5-dichloro-4-[(4,4-difluoro-5-methylidenepyrrolidin-2-yl)methoxy]phenyl]-1,2,4-oxadiazole;3-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-5-[4-[[(2R)-4,4-difluoro-5-methylidenepyrrolidin-2-yl]methoxy]-3-methylphenyl]-1,2,4-oxadiazole;3-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-5-[4-[(4,4-difluoro-5-methylidenepyrrolidin-2-yl)methoxy]-3-methylphenyl]-1,2,4-oxadiazole;5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-3-[4-[(4,4-difluoro-5-methylidenepyrrolidin-2-yl)methoxy]-3-methylphenyl]-1,2,4-oxadiazole;(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-fluoro-1,3-dimethylpiperidin-2-one
SMILESC=C1NC(COc2cc(Cl)c(-c3nc(-c4cn5cc(C(F)(F)F)cc(Cl)c5n4)no3)cc2Cl)CC1(F)F.C=C1NC(COc2ccc(-c3nc(-c4cn5cc(C(F)(F)F)cc(Cl)c5n4)no3)cc2C)CC1(F)F.C=C1NC(COc2ccc(-c3noc(-c4cn5cc(C(F)(F)F)cc(Cl)c5n4)n3)cc2C)CC1(F)F.C=C1N[C@@H](COc2cc(Cl)c(-c3nc(-c4cn5cc(C(F)(F)F)cc(Cl)c5n4)no3)cc2Cl)CC1(F)F.C=C1N[C@@H](COc2ccc(-c3nc(-c4cn5cc(C(F)(F)F)cc(Cl)c5n4)no3)cc2C)CC1(F)F.CN1C[C@H](Oc2cc(Cl)c(-c3noc(-c4cn5cc(C(F)(F)F)cc(Cl)c5n4)n3)cc2Cl)CC(C)(F)C1=O
InChIInChI=1S/C23H16Cl3F4N5O3.3C23H17ClF5N5O2.2C22H13Cl3F5N5O2/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;2*1-11-5-13(3-4-18(11)35-10-15-7-22(25,26)12(2)30-15)21-32-19(33-36-21)17-9-34-8-14(23(27,28)29)6-16(24)20(34)31-17;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;2*1-9-21(26,27)5-11(31-9)8-36-17-4-13(23)12(3-14(17)24)20-33-18(34-37-20)16-7-35-6-10(22(28,29)30)2-15(25)19(35)32-16/h3-5,7,9,11H,6,8H2,1-2H3;3*3-6,8-9,15,30H,2,7,10H2,1H3;2*2-4,6-7,11,31H,1,5,8H2/t11-,22?;15-;;;11-;/m11..1./s1
InChIKeyGGSGQCNDCISJAC-CCJCADARSA-N
MW3331.81 g/mol
LogP37.97
Rot. Bonds29

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

3-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-5-[2,5-dichloro-4-[[(2R)-4,4-difluoro-5-methylidenepyrrolidin-2-yl]methoxy]phenyl]-1,2,4-oxadiazole;3-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-5-[2,5-dichloro-4-[(4,4-difluoro-5-methylidenepyrrolidin-2-yl)methoxy]phenyl]-1,2,4-oxadiazole;3-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-5-[4-[[(2R)-4,4-difluoro-5-methylidenepyrrolidin-2-yl]methoxy]-3-methylphenyl]-1,2,4-oxadiazole;3-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-5-[4-[(4,4-difluoro-5-methylidenepyrrolidin-2-yl)methoxy]-3-methylphenyl]-1,2,4-oxadiazole;5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-3-[4-[(4,4-difluoro-5-methylidenepyrrolidin-2-yl)methoxy]-3-methylphenyl]-1,2,4-oxadiazole;(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-fluoro-1,3-dimethylpiperidin-2-one (PubChem CID 158251019) has the molecular formula C136H93Cl12F29N30O13 and a molecular weight of 3331.81 g/mol. Its IUPAC name is 3-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-5-[2,5-dichloro-4-[[(2R)-4,4-difluoro-5-methylidenepyrrolidin-2-yl]methoxy]phenyl]-1,2,4-oxadiazole;3-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-5-[2,5-dichloro-4-[(4,4-difluoro-5-methylidenepyrrolidin-2-yl)methoxy]phenyl]-1,2,4-oxadiazole;3-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-5-[4-[[(2R)-4,4-difluoro-5-methylidenepyrrolidin-2-yl]methoxy]-3-methylphenyl]-1,2,4-oxadiazole;3-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-5-[4-[(4,4-difluoro-5-methylidenepyrrolidin-2-yl)methoxy]-3-methylphenyl]-1,2,4-oxadiazole;5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-3-[4-[(4,4-difluoro-5-methylidenepyrrolidin-2-yl)methoxy]-3-methylphenyl]-1,2,4-oxadiazole;(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-fluoro-1,3-dimethylpiperidin-2-one.

Molecular Properties

Compound Name3-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-5-[2,5-dichloro-4-[[(2R)-4,4-difluoro-5-methylidenepyrrolidin-2-yl]methoxy]phenyl]-1,2,4-oxadiazole;3-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-5-[2,5-dichloro-4-[(4,4-difluoro-5-methylidenepyrrolidin-2-yl)methoxy]phenyl]-1,2,4-oxadiazole;3-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-5-[4-[[(2R)-4,4-difluoro-5-methylidenepyrrolidin-2-yl]methoxy]-3-methylphenyl]-1,2,4-oxadiazole;3-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-5-[4-[(4,4-difluoro-5-methylidenepyrrolidin-2-yl)methoxy]-3-methylphenyl]-1,2,4-oxadiazole;5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-3-[4-[(4,4-difluoro-5-methylidenepyrrolidin-2-yl)methoxy]-3-methylphenyl]-1,2,4-oxadiazole;(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-fluoro-1,3-dimethylpiperidin-2-one
PubChem CID158251019
Molecular FormulaC136H93Cl12F29N30O13
Molecular Weight3331.81 g/mol
Exact Mass3324.33
IUPAC Name3-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-5-[2,5-dichloro-4-[[(2R)-4,4-difluoro-5-methylidenepyrrolidin-2-yl]methoxy]phenyl]-1,2,4-oxadiazole;3-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-5-[2,5-dichloro-4-[(4,4-difluoro-5-methylidenepyrrolidin-2-yl)methoxy]phenyl]-1,2,4-oxadiazole;3-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-5-[4-[[(2R)-4,4-difluoro-5-methylidenepyrrolidin-2-yl]methoxy]-3-methylphenyl]-1,2,4-oxadiazole;3-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-5-[4-[(4,4-difluoro-5-methylidenepyrrolidin-2-yl)methoxy]-3-methylphenyl]-1,2,4-oxadiazole;5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-3-[4-[(4,4-difluoro-5-methylidenepyrrolidin-2-yl)methoxy]-3-methylphenyl]-1,2,4-oxadiazole;(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-fluoro-1,3-dimethylpiperidin-2-one
SMILESC=C1NC(COc2cc(Cl)c(-c3nc(-c4cn5cc(C(F)(F)F)cc(Cl)c5n4)no3)cc2Cl)CC1(F)F.C=C1NC(COc2ccc(-c3nc(-c4cn5cc(C(F)(F)F)cc(Cl)c5n4)no3)cc2C)CC1(F)F.C=C1NC(COc2ccc(-c3noc(-c4cn5cc(C(F)(F)F)cc(Cl)c5n4)n3)cc2C)CC1(F)F.C=C1N[C@@H](COc2cc(Cl)c(-c3nc(-c4cn5cc(C(F)(F)F)cc(Cl)c5n4)no3)cc2Cl)CC1(F)F.C=C1N[C@@H](COc2ccc(-c3nc(-c4cn5cc(C(F)(F)F)cc(Cl)c5n4)no3)cc2C)CC1(F)F.CN1C[C@H](Oc2cc(Cl)c(-c3noc(-c4cn5cc(C(F)(F)F)cc(Cl)c5n4)n3)cc2Cl)CC(C)(F)C1=O
InChIInChI=1S/C23H16Cl3F4N5O3.3C23H17ClF5N5O2.2C22H13Cl3F5N5O2/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;2*1-11-5-13(3-4-18(11)35-10-15-7-22(25,26)12(2)30-15)21-32-19(33-36-21)17-9-34-8-14(23(27,28)29)6-16(24)20(34)31-17;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;2*1-9-21(26,27)5-11(31-9)8-36-17-4-13(23)12(3-14(17)24)20-33-18(34-37-20)16-7-35-6-10(22(28,29)30)2-15(25)19(35)32-16/h3-5,7,9,11H,6,8H2,1-2H3;3*3-6,8-9,15,30H,2,7,10H2,1H3;2*2-4,6-7,11,31H,1,5,8H2/t11-,22?;15-;;;11-;/m11..1./s1
InChIKeyGGSGQCNDCISJAC-CCJCADARSA-N
XLogP37.97
TPSA473.16 Ų
H-Bond Donors5
H-Bond Acceptors42
Rotatable Bonds29
Heavy Atoms220
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003331.81
LogP ≤ 537.97
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1042

Analyze 3-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-5-[2,5-dichloro-4-[[(2R)-4,4-difluoro-5-methylidenepyrrolidin-2-yl]methoxy]phenyl]-1,2,4-oxadiazole;3-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-5-[2,5-dichloro-4-[(4,4-difluoro-5-methylidenepyrrolidin-2-yl)methoxy]phenyl]-1,2,4-oxadiazole;3-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-5-[4-[[(2R)-4,4-difluoro-5-methylidenepyrrolidin-2-yl]methoxy]-3-methylphenyl]-1,2,4-oxadiazole;3-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-5-[4-[(4,4-difluoro-5-methylidenepyrrolidin-2-yl)methoxy]-3-methylphenyl]-1,2,4-oxadiazole;5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-3-[4-[(4,4-difluoro-5-methylidenepyrrolidin-2-yl)methoxy]-3-methylphenyl]-1,2,4-oxadiazole;(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-fluoro-1,3-dimethylpiperidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-5-[2,5-dichloro-4-[[(2R)-4,4-difluoro-5-methylidenepyrrolidin-2-yl]methoxy]phenyl]-1,2,4-oxadiazole;3-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-5-[2,5-dichloro-4-[(4,4-difluoro-5-methylidenepyrrolidin-2-yl)methoxy]phenyl]-1,2,4-oxadiazole;3-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-5-[4-[[(2R)-4,4-difluoro-5-methylidenepyrrolidin-2-yl]methoxy]-3-methylphenyl]-1,2,4-oxadiazole;3-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-5-[4-[(4,4-difluoro-5-methylidenepyrrolidin-2-yl)methoxy]-3-methylphenyl]-1,2,4-oxadiazole;5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-3-[4-[(4,4-difluoro-5-methylidenepyrrolidin-2-yl)methoxy]-3-methylphenyl]-1,2,4-oxadiazole;(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-fluoro-1,3-dimethylpiperidin-2-one?
The IUPAC name of 3-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-5-[2,5-dichloro-4-[[(2R)-4,4-difluoro-5-methylidenepyrrolidin-2-yl]methoxy]phenyl]-1,2,4-oxadiazole;3-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-5-[2,5-dichloro-4-[(4,4-difluoro-5-methylidenepyrrolidin-2-yl)methoxy]phenyl]-1,2,4-oxadiazole;3-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-5-[4-[[(2R)-4,4-difluoro-5-methylidenepyrrolidin-2-yl]methoxy]-3-methylphenyl]-1,2,4-oxadiazole;3-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-5-[4-[(4,4-difluoro-5-methylidenepyrrolidin-2-yl)methoxy]-3-methylphenyl]-1,2,4-oxadiazole;5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-3-[4-[(4,4-difluoro-5-methylidenepyrrolidin-2-yl)methoxy]-3-methylphenyl]-1,2,4-oxadiazole;(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-fluoro-1,3-dimethylpiperidin-2-one (CID 158251019) is 3-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-5-[2,5-dichloro-4-[[(2R)-4,4-difluoro-5-methylidenepyrrolidin-2-yl]methoxy]phenyl]-1,2,4-oxadiazole;3-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-5-[2,5-dichloro-4-[(4,4-difluoro-5-methylidenepyrrolidin-2-yl)methoxy]phenyl]-1,2,4-oxadiazole;3-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-5-[4-[[(2R)-4,4-difluoro-5-methylidenepyrrolidin-2-yl]methoxy]-3-methylphenyl]-1,2,4-oxadiazole;3-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-5-[4-[(4,4-difluoro-5-methylidenepyrrolidin-2-yl)methoxy]-3-methylphenyl]-1,2,4-oxadiazole;5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-3-[4-[(4,4-difluoro-5-methylidenepyrrolidin-2-yl)methoxy]-3-methylphenyl]-1,2,4-oxadiazole;(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-fluoro-1,3-dimethylpiperidin-2-one.
What is the SMILES notation for 3-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-5-[2,5-dichloro-4-[[(2R)-4,4-difluoro-5-methylidenepyrrolidin-2-yl]methoxy]phenyl]-1,2,4-oxadiazole;3-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-5-[2,5-dichloro-4-[(4,4-difluoro-5-methylidenepyrrolidin-2-yl)methoxy]phenyl]-1,2,4-oxadiazole;3-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-5-[4-[[(2R)-4,4-difluoro-5-methylidenepyrrolidin-2-yl]methoxy]-3-methylphenyl]-1,2,4-oxadiazole;3-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-5-[4-[(4,4-difluoro-5-methylidenepyrrolidin-2-yl)methoxy]-3-methylphenyl]-1,2,4-oxadiazole;5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-3-[4-[(4,4-difluoro-5-methylidenepyrrolidin-2-yl)methoxy]-3-methylphenyl]-1,2,4-oxadiazole;(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-fluoro-1,3-dimethylpiperidin-2-one?
The canonical SMILES for 3-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-5-[2,5-dichloro-4-[[(2R)-4,4-difluoro-5-methylidenepyrrolidin-2-yl]methoxy]phenyl]-1,2,4-oxadiazole;3-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-5-[2,5-dichloro-4-[(4,4-difluoro-5-methylidenepyrrolidin-2-yl)methoxy]phenyl]-1,2,4-oxadiazole;3-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-5-[4-[[(2R)-4,4-difluoro-5-methylidenepyrrolidin-2-yl]methoxy]-3-methylphenyl]-1,2,4-oxadiazole;3-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-5-[4-[(4,4-difluoro-5-methylidenepyrrolidin-2-yl)methoxy]-3-methylphenyl]-1,2,4-oxadiazole;5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-3-[4-[(4,4-difluoro-5-methylidenepyrrolidin-2-yl)methoxy]-3-methylphenyl]-1,2,4-oxadiazole;(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-fluoro-1,3-dimethylpiperidin-2-one is C=C1NC(COc2cc(Cl)c(-c3nc(-c4cn5cc(C(F)(F)F)cc(Cl)c5n4)no3)cc2Cl)CC1(F)F.C=C1NC(COc2ccc(-c3nc(-c4cn5cc(C(F)(F)F)cc(Cl)c5n4)no3)cc2C)CC1(F)F.C=C1NC(COc2ccc(-c3noc(-c4cn5cc(C(F)(F)F)cc(Cl)c5n4)n3)cc2C)CC1(F)F.C=C1N[C@@H](COc2cc(Cl)c(-c3nc(-c4cn5cc(C(F)(F)F)cc(Cl)c5n4)no3)cc2Cl)CC1(F)F.C=C1N[C@@H](COc2ccc(-c3nc(-c4cn5cc(C(F)(F)F)cc(Cl)c5n4)no3)cc2C)CC1(F)F.CN1C[C@H](Oc2cc(Cl)c(-c3noc(-c4cn5cc(C(F)(F)F)cc(Cl)c5n4)n3)cc2Cl)CC(C)(F)C1=O.
What is the InChIKey of 3-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-5-[2,5-dichloro-4-[[(2R)-4,4-difluoro-5-methylidenepyrrolidin-2-yl]methoxy]phenyl]-1,2,4-oxadiazole;3-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-5-[2,5-dichloro-4-[(4,4-difluoro-5-methylidenepyrrolidin-2-yl)methoxy]phenyl]-1,2,4-oxadiazole;3-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-5-[4-[[(2R)-4,4-difluoro-5-methylidenepyrrolidin-2-yl]methoxy]-3-methylphenyl]-1,2,4-oxadiazole;3-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-5-[4-[(4,4-difluoro-5-methylidenepyrrolidin-2-yl)methoxy]-3-methylphenyl]-1,2,4-oxadiazole;5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-3-[4-[(4,4-difluoro-5-methylidenepyrrolidin-2-yl)methoxy]-3-methylphenyl]-1,2,4-oxadiazole;(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-fluoro-1,3-dimethylpiperidin-2-one?
The InChIKey is GGSGQCNDCISJAC-CCJCADARSA-N. The full InChI is InChI=1S/C23H16Cl3F4N5O3.3C23H17ClF5N5O2.2C22H13Cl3F5N5O2/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;2*1-11-5-13(3-4-18(11)35-10-15-7-22(25,26)12(2)30-15)21-32-19(33-36-21)17-9-34-8-14(23(27,28)29)6-16(24)20(34)31-17;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;2*1-9-21(26,27)5-11(31-9)8-36-17-4-13(23)12(3-14(17)24)20-33-18(34-37-20)16-7-35-6-10(22(28,29)30)2-15(25)19(35)32-16/h3-5,7,9,11H,6,8H2,1-2H3;3*3-6,8-9,15,30H,2,7,10H2,1H3;2*2-4,6-7,11,31H,1,5,8H2/t11-,22?;15-;;;11-;/m11..1./s1.
What are the key properties of 3-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-5-[2,5-dichloro-4-[[(2R)-4,4-difluoro-5-methylidenepyrrolidin-2-yl]methoxy]phenyl]-1,2,4-oxadiazole;3-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-5-[2,5-dichloro-4-[(4,4-difluoro-5-methylidenepyrrolidin-2-yl)methoxy]phenyl]-1,2,4-oxadiazole;3-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-5-[4-[[(2R)-4,4-difluoro-5-methylidenepyrrolidin-2-yl]methoxy]-3-methylphenyl]-1,2,4-oxadiazole;3-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-5-[4-[(4,4-difluoro-5-methylidenepyrrolidin-2-yl)methoxy]-3-methylphenyl]-1,2,4-oxadiazole;5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-3-[4-[(4,4-difluoro-5-methylidenepyrrolidin-2-yl)methoxy]-3-methylphenyl]-1,2,4-oxadiazole;(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-fluoro-1,3-dimethylpiperidin-2-one?
3-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-5-[2,5-dichloro-4-[[(2R)-4,4-difluoro-5-methylidenepyrrolidin-2-yl]methoxy]phenyl]-1,2,4-oxadiazole;3-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-5-[2,5-dichloro-4-[(4,4-difluoro-5-methylidenepyrrolidin-2-yl)methoxy]phenyl]-1,2,4-oxadiazole;3-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-5-[4-[[(2R)-4,4-difluoro-5-methylidenepyrrolidin-2-yl]methoxy]-3-methylphenyl]-1,2,4-oxadiazole;3-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-5-[4-[(4,4-difluoro-5-methylidenepyrrolidin-2-yl)methoxy]-3-methylphenyl]-1,2,4-oxadiazole;5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-3-[4-[(4,4-difluoro-5-methylidenepyrrolidin-2-yl)methoxy]-3-methylphenyl]-1,2,4-oxadiazole;(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-fluoro-1,3-dimethylpiperidin-2-one has a molecular weight of 3331.81 g/mol, XLogP of 37.97, 29 rotatable bonds, 5 hydrogen bond donors, and 42 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-5-[2,5-dichloro-4-[[(2R)-4,4-difluoro-5-methylidenepyrrolidin-2-yl]methoxy]phenyl]-1,2,4-oxadiazole;3-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-5-[2,5-dichloro-4-[(4,4-difluoro-5-methylidenepyrrolidin-2-yl)methoxy]phenyl]-1,2,4-oxadiazole;3-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-5-[4-[[(2R)-4,4-difluoro-5-methylidenepyrrolidin-2-yl]methoxy]-3-methylphenyl]-1,2,4-oxadiazole;3-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-5-[4-[(4,4-difluoro-5-methylidenepyrrolidin-2-yl)methoxy]-3-methylphenyl]-1,2,4-oxadiazole;5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-3-[4-[(4,4-difluoro-5-methylidenepyrrolidin-2-yl)methoxy]-3-methylphenyl]-1,2,4-oxadiazole;(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-fluoro-1,3-dimethylpiperidin-2-one is sourced from PubChem (CID 158251019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).