(5S)-1-chloro-5-[2,5-dichloro-4-[5-(8-chloro-6-methylimidazo[1,2-a]pyridin-2-yl)-1,2,4-oxadiazol-3-yl]phenoxy]-3-fluoro-3-methylpiperidin-2-one;3-(8-chloro-6-methylimidazo[1,2-a]pyridin-2-yl)-5-[2,5-dichloro-4-[[(1S)-3,3-difluoro-4-methylidenecyclopentyl]methoxy]phenyl]-1,2,4-oxadiazole;3-(8-chloro-6-methylimidazo[1,2-a]pyridin-2-yl)-5-[4-[[(1S)-3,3-difluoro-4-methylidenecyclopentyl]methoxy]-3-methylphenyl]-1,2,4-oxadiazole;5-(8-chloro-6-methylimidazo[1,2-a]pyridin-2-yl)-3-[4-[[(1S)-3,3-difluoro-4-methylidenecyclopentyl]methoxy]-3-methylphenyl]-1,2,4-oxadiazole;(5R)-5-[2,5-dichloro-4-[5-(8-chloro-6-methylimidazo[1,2-a]pyridin-2-yl)-1,2,4-oxadiazol-3-yl]phenoxy]-3-fluoro-1,3-dimethylpiperidin-2-one;(4S)-4-[2,5-dichloro-4-[5-(8-chloro-6-methylimidazo[1,2-a]pyridin-2-yl)-1,2,4-oxadiazol-3-yl]phenoxy]-2-fluoro-2-methylcyclohexan-1-one;(4R)-4-[2,5-dichloro-4-[5-(8-chloro-6-methylimidazo[1,2-a]pyridin-2-yl)-1,2,4-oxadiazol-3-yl]phenoxy]-2-fluoro-2-methylcyclohexan-1-one

C162H130Cl18F10N30O18 — CID 161116068

IUPAC(5S)-1-chloro-5-[2,5-dichloro-4-[5-(8-chloro-6-methylimidazo[1,2-a]pyridin-2-yl)-1,2,4-oxadiazol-3-yl]phenoxy]-3-fluoro-3-methylpiperidin-2-one;3-(8-chloro-6-methylimidazo[1,2-a]pyridin-2-yl)-5-[2,5-dichloro-4-[[(1S)-3,3-difluoro-4-methylidenecyclopentyl]methoxy]phenyl]-1,2,4-oxadiazole;3-(8-chloro-6-methylimidazo[1,2-a]pyridin-2-yl)-5-[4-[[(1S)-3,3-difluoro-4-methylidenecyclopentyl]methoxy]-3-methylphenyl]-1,2,4-oxadiazole;5-(8-chloro-6-methylimidazo[1,2-a]pyridin-2-yl)-3-[4-[[(1S)-3,3-difluoro-4-methylidenecyclopentyl]methoxy]-3-methylphenyl]-1,2,4-oxadiazole;(5R)-5-[2,5-dichloro-4-[5-(8-chloro-6-methylimidazo[1,2-a]pyridin-2-yl)-1,2,4-oxadiazol-3-yl]phenoxy]-3-fluoro-1,3-dimethylpiperidin-2-one;(4S)-4-[2,5-dichloro-4-[5-(8-chloro-6-methylimidazo[1,2-a]pyridin-2-yl)-1,2,4-oxadiazol-3-yl]phenoxy]-2-fluoro-2-methylcyclohexan-1-one;(4R)-4-[2,5-dichloro-4-[5-(8-chloro-6-methylimidazo[1,2-a]pyridin-2-yl)-1,2,4-oxadiazol-3-yl]phenoxy]-2-fluoro-2-methylcyclohexan-1-one
SMILESC=C1C[C@H](COc2cc(Cl)c(-c3nc(-c4cn5cc(C)cc(Cl)c5n4)no3)cc2Cl)CC1(F)F.C=C1C[C@H](COc2ccc(-c3nc(-c4cn5cc(C)cc(Cl)c5n4)no3)cc2C)CC1(F)F.C=C1C[C@H](COc2ccc(-c3noc(-c4cn5cc(C)cc(Cl)c5n4)n3)cc2C)CC1(F)F.Cc1cc(Cl)c2nc(-c3nc(-c4cc(Cl)c(O[C@@H]5CCC(=O)C(C)(F)C5)cc4Cl)no3)cn2c1.Cc1cc(Cl)c2nc(-c3nc(-c4cc(Cl)c(O[C@@H]5CN(Cl)C(=O)C(C)(F)C5)cc4Cl)no3)cn2c1.Cc1cc(Cl)c2nc(-c3nc(-c4cc(Cl)c(O[C@H]5CCC(=O)C(C)(F)C5)cc4Cl)no3)cn2c1.Cc1cc(Cl)c2nc(-c3nc(-c4cc(Cl)c(O[C@H]5CN(C)C(=O)C(C)(F)C5)cc4Cl)no3)cn2c1
InChIInChI=1S/2C24H21ClF2N4O2.C23H17Cl3F2N4O2.C23H19Cl3FN5O3.2C23H18Cl3FN4O3.C22H16Cl4FN5O3/c1-13-6-18(25)22-28-19(11-31(22)10-13)21-29-23(33-30-21)17-4-5-20(14(2)7-17)32-12-16-8-15(3)24(26,27)9-16;1-13-6-18(25)22-28-19(11-31(22)10-13)23-29-21(30-33-23)17-4-5-20(14(2)7-17)32-12-16-8-15(3)24(26,27)9-16;1-11-3-17(26)21-29-18(9-32(21)8-11)20-30-22(34-31-20)14-5-16(25)19(6-15(14)24)33-10-13-4-12(2)23(27,28)7-13;1-11-4-16(26)20-28-17(10-32(20)8-11)21-29-19(30-35-21)13-5-15(25)18(6-14(13)24)34-12-7-23(2,27)22(33)31(3)9-12;2*1-11-5-16(26)21-28-17(10-31(21)9-11)22-29-20(30-34-22)13-6-15(25)18(7-14(13)24)33-12-3-4-19(32)23(2,27)8-12;1-10-3-15(25)19-28-16(9-31(19)7-10)20-29-18(30-35-20)12-4-14(24)17(5-13(12)23)34-11-6-22(2,27)21(33)32(26)8-11/h2*4-7,10-11,16H,3,8-9,12H2,1-2H3;3,5-6,8-9,13H,2,4,7,10H2,1H3;4-6,8,10,12H,7,9H2,1-3H3;2*5-7,9-10,12H,3-4,8H2,1-2H3;3-5,7,9,11H,6,8H2,1-2H3/t2*16-;13-;3*12-,23?;11-,22?/m0001100/s1
InChIKeyUKIGJOXSUIHPKT-SXMIBAJWSA-N
MW3613.15 g/mol
LogP44.84
Rot. Bonds31

About (5S)-1-chloro-5-[2,5-dichloro-4-[5-(8-chloro-6-methylimidazo[1,2-a]pyridin-2-yl)-1,2,4-oxadiazol-3-yl]phenoxy]-3-fluoro-3-methylpiperidin-2-one;3-(8-chloro-6-methylimidazo[1,2-a]pyridin-2-yl)-5-[2,5-dichloro-4-[[(1S)-3,3-difluoro-4-methylidenecyclopentyl]methoxy]phenyl]-1,2,4-oxadiazole;3-(8-chloro-6-methylimidazo[1,2-a]pyridin-2-yl)-5-[4-[[(1S)-3,3-difluoro-4-methylidenecyclopentyl]methoxy]-3-methylphenyl]-1,2,4-oxadiazole;5-(8-chloro-6-methylimidazo[1,2-a]pyridin-2-yl)-3-[4-[[(1S)-3,3-difluoro-4-methylidenecyclopentyl]methoxy]-3-methylphenyl]-1,2,4-oxadiazole;(5R)-5-[2,5-dichloro-4-[5-(8-chloro-6-methylimidazo[1,2-a]pyridin-2-yl)-1,2,4-oxadiazol-3-yl]phenoxy]-3-fluoro-1,3-dimethylpiperidin-2-one;(4S)-4-[2,5-dichloro-4-[5-(8-chloro-6-methylimidazo[1,2-a]pyridin-2-yl)-1,2,4-oxadiazol-3-yl]phenoxy]-2-fluoro-2-methylcyclohexan-1-one;(4R)-4-[2,5-dichloro-4-[5-(8-chloro-6-methylimidazo[1,2-a]pyridin-2-yl)-1,2,4-oxadiazol-3-yl]phenoxy]-2-fluoro-2-methylcyclohexan-1-one

(5S)-1-chloro-5-[2,5-dichloro-4-[5-(8-chloro-6-methylimidazo[1,2-a]pyridin-2-yl)-1,2,4-oxadiazol-3-yl]phenoxy]-3-fluoro-3-methylpiperidin-2-one;3-(8-chloro-6-methylimidazo[1,2-a]pyridin-2-yl)-5-[2,5-dichloro-4-[[(1S)-3,3-difluoro-4-methylidenecyclopentyl]methoxy]phenyl]-1,2,4-oxadiazole;3-(8-chloro-6-methylimidazo[1,2-a]pyridin-2-yl)-5-[4-[[(1S)-3,3-difluoro-4-methylidenecyclopentyl]methoxy]-3-methylphenyl]-1,2,4-oxadiazole;5-(8-chloro-6-methylimidazo[1,2-a]pyridin-2-yl)-3-[4-[[(1S)-3,3-difluoro-4-methylidenecyclopentyl]methoxy]-3-methylphenyl]-1,2,4-oxadiazole;(5R)-5-[2,5-dichloro-4-[5-(8-chloro-6-methylimidazo[1,2-a]pyridin-2-yl)-1,2,4-oxadiazol-3-yl]phenoxy]-3-fluoro-1,3-dimethylpiperidin-2-one;(4S)-4-[2,5-dichloro-4-[5-(8-chloro-6-methylimidazo[1,2-a]pyridin-2-yl)-1,2,4-oxadiazol-3-yl]phenoxy]-2-fluoro-2-methylcyclohexan-1-one;(4R)-4-[2,5-dichloro-4-[5-(8-chloro-6-methylimidazo[1,2-a]pyridin-2-yl)-1,2,4-oxadiazol-3-yl]phenoxy]-2-fluoro-2-methylcyclohexan-1-one (PubChem CID 161116068) has the molecular formula C162H130Cl18F10N30O18 and a molecular weight of 3613.15 g/mol. Its IUPAC name is (5S)-1-chloro-5-[2,5-dichloro-4-[5-(8-chloro-6-methylimidazo[1,2-a]pyridin-2-yl)-1,2,4-oxadiazol-3-yl]phenoxy]-3-fluoro-3-methylpiperidin-2-one;3-(8-chloro-6-methylimidazo[1,2-a]pyridin-2-yl)-5-[2,5-dichloro-4-[[(1S)-3,3-difluoro-4-methylidenecyclopentyl]methoxy]phenyl]-1,2,4-oxadiazole;3-(8-chloro-6-methylimidazo[1,2-a]pyridin-2-yl)-5-[4-[[(1S)-3,3-difluoro-4-methylidenecyclopentyl]methoxy]-3-methylphenyl]-1,2,4-oxadiazole;5-(8-chloro-6-methylimidazo[1,2-a]pyridin-2-yl)-3-[4-[[(1S)-3,3-difluoro-4-methylidenecyclopentyl]methoxy]-3-methylphenyl]-1,2,4-oxadiazole;(5R)-5-[2,5-dichloro-4-[5-(8-chloro-6-methylimidazo[1,2-a]pyridin-2-yl)-1,2,4-oxadiazol-3-yl]phenoxy]-3-fluoro-1,3-dimethylpiperidin-2-one;(4S)-4-[2,5-dichloro-4-[5-(8-chloro-6-methylimidazo[1,2-a]pyridin-2-yl)-1,2,4-oxadiazol-3-yl]phenoxy]-2-fluoro-2-methylcyclohexan-1-one;(4R)-4-[2,5-dichloro-4-[5-(8-chloro-6-methylimidazo[1,2-a]pyridin-2-yl)-1,2,4-oxadiazol-3-yl]phenoxy]-2-fluoro-2-methylcyclohexan-1-one.

Molecular Properties

Compound Name(5S)-1-chloro-5-[2,5-dichloro-4-[5-(8-chloro-6-methylimidazo[1,2-a]pyridin-2-yl)-1,2,4-oxadiazol-3-yl]phenoxy]-3-fluoro-3-methylpiperidin-2-one;3-(8-chloro-6-methylimidazo[1,2-a]pyridin-2-yl)-5-[2,5-dichloro-4-[[(1S)-3,3-difluoro-4-methylidenecyclopentyl]methoxy]phenyl]-1,2,4-oxadiazole;3-(8-chloro-6-methylimidazo[1,2-a]pyridin-2-yl)-5-[4-[[(1S)-3,3-difluoro-4-methylidenecyclopentyl]methoxy]-3-methylphenyl]-1,2,4-oxadiazole;5-(8-chloro-6-methylimidazo[1,2-a]pyridin-2-yl)-3-[4-[[(1S)-3,3-difluoro-4-methylidenecyclopentyl]methoxy]-3-methylphenyl]-1,2,4-oxadiazole;(5R)-5-[2,5-dichloro-4-[5-(8-chloro-6-methylimidazo[1,2-a]pyridin-2-yl)-1,2,4-oxadiazol-3-yl]phenoxy]-3-fluoro-1,3-dimethylpiperidin-2-one;(4S)-4-[2,5-dichloro-4-[5-(8-chloro-6-methylimidazo[1,2-a]pyridin-2-yl)-1,2,4-oxadiazol-3-yl]phenoxy]-2-fluoro-2-methylcyclohexan-1-one;(4R)-4-[2,5-dichloro-4-[5-(8-chloro-6-methylimidazo[1,2-a]pyridin-2-yl)-1,2,4-oxadiazol-3-yl]phenoxy]-2-fluoro-2-methylcyclohexan-1-one
PubChem CID161116068
Molecular FormulaC162H130Cl18F10N30O18
Molecular Weight3613.15 g/mol
Exact Mass3602.44
IUPAC Name(5S)-1-chloro-5-[2,5-dichloro-4-[5-(8-chloro-6-methylimidazo[1,2-a]pyridin-2-yl)-1,2,4-oxadiazol-3-yl]phenoxy]-3-fluoro-3-methylpiperidin-2-one;3-(8-chloro-6-methylimidazo[1,2-a]pyridin-2-yl)-5-[2,5-dichloro-4-[[(1S)-3,3-difluoro-4-methylidenecyclopentyl]methoxy]phenyl]-1,2,4-oxadiazole;3-(8-chloro-6-methylimidazo[1,2-a]pyridin-2-yl)-5-[4-[[(1S)-3,3-difluoro-4-methylidenecyclopentyl]methoxy]-3-methylphenyl]-1,2,4-oxadiazole;5-(8-chloro-6-methylimidazo[1,2-a]pyridin-2-yl)-3-[4-[[(1S)-3,3-difluoro-4-methylidenecyclopentyl]methoxy]-3-methylphenyl]-1,2,4-oxadiazole;(5R)-5-[2,5-dichloro-4-[5-(8-chloro-6-methylimidazo[1,2-a]pyridin-2-yl)-1,2,4-oxadiazol-3-yl]phenoxy]-3-fluoro-1,3-dimethylpiperidin-2-one;(4S)-4-[2,5-dichloro-4-[5-(8-chloro-6-methylimidazo[1,2-a]pyridin-2-yl)-1,2,4-oxadiazol-3-yl]phenoxy]-2-fluoro-2-methylcyclohexan-1-one;(4R)-4-[2,5-dichloro-4-[5-(8-chloro-6-methylimidazo[1,2-a]pyridin-2-yl)-1,2,4-oxadiazol-3-yl]phenoxy]-2-fluoro-2-methylcyclohexan-1-one
SMILESC=C1C[C@H](COc2cc(Cl)c(-c3nc(-c4cn5cc(C)cc(Cl)c5n4)no3)cc2Cl)CC1(F)F.C=C1C[C@H](COc2ccc(-c3nc(-c4cn5cc(C)cc(Cl)c5n4)no3)cc2C)CC1(F)F.C=C1C[C@H](COc2ccc(-c3noc(-c4cn5cc(C)cc(Cl)c5n4)n3)cc2C)CC1(F)F.Cc1cc(Cl)c2nc(-c3nc(-c4cc(Cl)c(O[C@@H]5CCC(=O)C(C)(F)C5)cc4Cl)no3)cn2c1.Cc1cc(Cl)c2nc(-c3nc(-c4cc(Cl)c(O[C@@H]5CN(Cl)C(=O)C(C)(F)C5)cc4Cl)no3)cn2c1.Cc1cc(Cl)c2nc(-c3nc(-c4cc(Cl)c(O[C@H]5CCC(=O)C(C)(F)C5)cc4Cl)no3)cn2c1.Cc1cc(Cl)c2nc(-c3nc(-c4cc(Cl)c(O[C@H]5CN(C)C(=O)C(C)(F)C5)cc4Cl)no3)cn2c1
InChIInChI=1S/2C24H21ClF2N4O2.C23H17Cl3F2N4O2.C23H19Cl3FN5O3.2C23H18Cl3FN4O3.C22H16Cl4FN5O3/c1-13-6-18(25)22-28-19(11-31(22)10-13)21-29-23(33-30-21)17-4-5-20(14(2)7-17)32-12-16-8-15(3)24(26,27)9-16;1-13-6-18(25)22-28-19(11-31(22)10-13)23-29-21(30-33-23)17-4-5-20(14(2)7-17)32-12-16-8-15(3)24(26,27)9-16;1-11-3-17(26)21-29-18(9-32(21)8-11)20-30-22(34-31-20)14-5-16(25)19(6-15(14)24)33-10-13-4-12(2)23(27,28)7-13;1-11-4-16(26)20-28-17(10-32(20)8-11)21-29-19(30-35-21)13-5-15(25)18(6-14(13)24)34-12-7-23(2,27)22(33)31(3)9-12;2*1-11-5-16(26)21-28-17(10-31(21)9-11)22-29-20(30-34-22)13-6-15(25)18(7-14(13)24)33-12-3-4-19(32)23(2,27)8-12;1-10-3-15(25)19-28-16(9-31(19)7-10)20-29-18(30-35-20)12-4-14(24)17(5-13(12)23)34-11-6-22(2,27)21(33)32(26)8-11/h2*4-7,10-11,16H,3,8-9,12H2,1-2H3;3,5-6,8-9,13H,2,4,7,10H2,1H3;4-6,8,10,12H,7,9H2,1-3H3;2*5-7,9-10,12H,3-4,8H2,1-2H3;3-5,7,9,11H,6,8H2,1-2H3/t2*16-;13-;3*12-,23?;11-,22?/m0001100/s1
InChIKeyUKIGJOXSUIHPKT-SXMIBAJWSA-N
XLogP44.84
TPSA532.91 Ų
H-Bond Donors
H-Bond Acceptors46
Rotatable Bonds31
Heavy Atoms238
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003613.15
LogP ≤ 544.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1046

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}

Analyze (5S)-1-chloro-5-[2,5-dichloro-4-[5-(8-chloro-6-methylimidazo[1,2-a]pyridin-2-yl)-1,2,4-oxadiazol-3-yl]phenoxy]-3-fluoro-3-methylpiperidin-2-one;3-(8-chloro-6-methylimidazo[1,2-a]pyridin-2-yl)-5-[2,5-dichloro-4-[[(1S)-3,3-difluoro-4-methylidenecyclopentyl]methoxy]phenyl]-1,2,4-oxadiazole;3-(8-chloro-6-methylimidazo[1,2-a]pyridin-2-yl)-5-[4-[[(1S)-3,3-difluoro-4-methylidenecyclopentyl]methoxy]-3-methylphenyl]-1,2,4-oxadiazole;5-(8-chloro-6-methylimidazo[1,2-a]pyridin-2-yl)-3-[4-[[(1S)-3,3-difluoro-4-methylidenecyclopentyl]methoxy]-3-methylphenyl]-1,2,4-oxadiazole;(5R)-5-[2,5-dichloro-4-[5-(8-chloro-6-methylimidazo[1,2-a]pyridin-2-yl)-1,2,4-oxadiazol-3-yl]phenoxy]-3-fluoro-1,3-dimethylpiperidin-2-one;(4S)-4-[2,5-dichloro-4-[5-(8-chloro-6-methylimidazo[1,2-a]pyridin-2-yl)-1,2,4-oxadiazol-3-yl]phenoxy]-2-fluoro-2-methylcyclohexan-1-one;(4R)-4-[2,5-dichloro-4-[5-(8-chloro-6-methylimidazo[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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Frequently Asked Questions

What is the IUPAC name of (5S)-1-chloro-5-[2,5-dichloro-4-[5-(8-chloro-6-methylimidazo[1,2-a]pyridin-2-yl)-1,2,4-oxadiazol-3-yl]phenoxy]-3-fluoro-3-methylpiperidin-2-one;3-(8-chloro-6-methylimidazo[1,2-a]pyridin-2-yl)-5-[2,5-dichloro-4-[[(1S)-3,3-difluoro-4-methylidenecyclopentyl]methoxy]phenyl]-1,2,4-oxadiazole;3-(8-chloro-6-methylimidazo[1,2-a]pyridin-2-yl)-5-[4-[[(1S)-3,3-difluoro-4-methylidenecyclopentyl]methoxy]-3-methylphenyl]-1,2,4-oxadiazole;5-(8-chloro-6-methylimidazo[1,2-a]pyridin-2-yl)-3-[4-[[(1S)-3,3-difluoro-4-methylidenecyclopentyl]methoxy]-3-methylphenyl]-1,2,4-oxadiazole;(5R)-5-[2,5-dichloro-4-[5-(8-chloro-6-methylimidazo[1,2-a]pyridin-2-yl)-1,2,4-oxadiazol-3-yl]phenoxy]-3-fluoro-1,3-dimethylpiperidin-2-one;(4S)-4-[2,5-dichloro-4-[5-(8-chloro-6-methylimidazo[1,2-a]pyridin-2-yl)-1,2,4-oxadiazol-3-yl]phenoxy]-2-fluoro-2-methylcyclohexan-1-one;(4R)-4-[2,5-dichloro-4-[5-(8-chloro-6-methylimidazo[1,2-a]pyridin-2-yl)-1,2,4-oxadiazol-3-yl]phenoxy]-2-fluoro-2-methylcyclohexan-1-one?
The IUPAC name of (5S)-1-chloro-5-[2,5-dichloro-4-[5-(8-chloro-6-methylimidazo[1,2-a]pyridin-2-yl)-1,2,4-oxadiazol-3-yl]phenoxy]-3-fluoro-3-methylpiperidin-2-one;3-(8-chloro-6-methylimidazo[1,2-a]pyridin-2-yl)-5-[2,5-dichloro-4-[[(1S)-3,3-difluoro-4-methylidenecyclopentyl]methoxy]phenyl]-1,2,4-oxadiazole;3-(8-chloro-6-methylimidazo[1,2-a]pyridin-2-yl)-5-[4-[[(1S)-3,3-difluoro-4-methylidenecyclopentyl]methoxy]-3-methylphenyl]-1,2,4-oxadiazole;5-(8-chloro-6-methylimidazo[1,2-a]pyridin-2-yl)-3-[4-[[(1S)-3,3-difluoro-4-methylidenecyclopentyl]methoxy]-3-methylphenyl]-1,2,4-oxadiazole;(5R)-5-[2,5-dichloro-4-[5-(8-chloro-6-methylimidazo[1,2-a]pyridin-2-yl)-1,2,4-oxadiazol-3-yl]phenoxy]-3-fluoro-1,3-dimethylpiperidin-2-one;(4S)-4-[2,5-dichloro-4-[5-(8-chloro-6-methylimidazo[1,2-a]pyridin-2-yl)-1,2,4-oxadiazol-3-yl]phenoxy]-2-fluoro-2-methylcyclohexan-1-one;(4R)-4-[2,5-dichloro-4-[5-(8-chloro-6-methylimidazo[1,2-a]pyridin-2-yl)-1,2,4-oxadiazol-3-yl]phenoxy]-2-fluoro-2-methylcyclohexan-1-one (CID 161116068) is (5S)-1-chloro-5-[2,5-dichloro-4-[5-(8-chloro-6-methylimidazo[1,2-a]pyridin-2-yl)-1,2,4-oxadiazol-3-yl]phenoxy]-3-fluoro-3-methylpiperidin-2-one;3-(8-chloro-6-methylimidazo[1,2-a]pyridin-2-yl)-5-[2,5-dichloro-4-[[(1S)-3,3-difluoro-4-methylidenecyclopentyl]methoxy]phenyl]-1,2,4-oxadiazole;3-(8-chloro-6-methylimidazo[1,2-a]pyridin-2-yl)-5-[4-[[(1S)-3,3-difluoro-4-methylidenecyclopentyl]methoxy]-3-methylphenyl]-1,2,4-oxadiazole;5-(8-chloro-6-methylimidazo[1,2-a]pyridin-2-yl)-3-[4-[[(1S)-3,3-difluoro-4-methylidenecyclopentyl]methoxy]-3-methylphenyl]-1,2,4-oxadiazole;(5R)-5-[2,5-dichloro-4-[5-(8-chloro-6-methylimidazo[1,2-a]pyridin-2-yl)-1,2,4-oxadiazol-3-yl]phenoxy]-3-fluoro-1,3-dimethylpiperidin-2-one;(4S)-4-[2,5-dichloro-4-[5-(8-chloro-6-methylimidazo[1,2-a]pyridin-2-yl)-1,2,4-oxadiazol-3-yl]phenoxy]-2-fluoro-2-methylcyclohexan-1-one;(4R)-4-[2,5-dichloro-4-[5-(8-chloro-6-methylimidazo[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 (5S)-1-chloro-5-[2,5-dichloro-4-[5-(8-chloro-6-methylimidazo[1,2-a]pyridin-2-yl)-1,2,4-oxadiazol-3-yl]phenoxy]-3-fluoro-3-methylpiperidin-2-one;3-(8-chloro-6-methylimidazo[1,2-a]pyridin-2-yl)-5-[2,5-dichloro-4-[[(1S)-3,3-difluoro-4-methylidenecyclopentyl]methoxy]phenyl]-1,2,4-oxadiazole;3-(8-chloro-6-methylimidazo[1,2-a]pyridin-2-yl)-5-[4-[[(1S)-3,3-difluoro-4-methylidenecyclopentyl]methoxy]-3-methylphenyl]-1,2,4-oxadiazole;5-(8-chloro-6-methylimidazo[1,2-a]pyridin-2-yl)-3-[4-[[(1S)-3,3-difluoro-4-methylidenecyclopentyl]methoxy]-3-methylphenyl]-1,2,4-oxadiazole;(5R)-5-[2,5-dichloro-4-[5-(8-chloro-6-methylimidazo[1,2-a]pyridin-2-yl)-1,2,4-oxadiazol-3-yl]phenoxy]-3-fluoro-1,3-dimethylpiperidin-2-one;(4S)-4-[2,5-dichloro-4-[5-(8-chloro-6-methylimidazo[1,2-a]pyridin-2-yl)-1,2,4-oxadiazol-3-yl]phenoxy]-2-fluoro-2-methylcyclohexan-1-one;(4R)-4-[2,5-dichloro-4-[5-(8-chloro-6-methylimidazo[1,2-a]pyridin-2-yl)-1,2,4-oxadiazol-3-yl]phenoxy]-2-fluoro-2-methylcyclohexan-1-one?
The canonical SMILES for (5S)-1-chloro-5-[2,5-dichloro-4-[5-(8-chloro-6-methylimidazo[1,2-a]pyridin-2-yl)-1,2,4-oxadiazol-3-yl]phenoxy]-3-fluoro-3-methylpiperidin-2-one;3-(8-chloro-6-methylimidazo[1,2-a]pyridin-2-yl)-5-[2,5-dichloro-4-[[(1S)-3,3-difluoro-4-methylidenecyclopentyl]methoxy]phenyl]-1,2,4-oxadiazole;3-(8-chloro-6-methylimidazo[1,2-a]pyridin-2-yl)-5-[4-[[(1S)-3,3-difluoro-4-methylidenecyclopentyl]methoxy]-3-methylphenyl]-1,2,4-oxadiazole;5-(8-chloro-6-methylimidazo[1,2-a]pyridin-2-yl)-3-[4-[[(1S)-3,3-difluoro-4-methylidenecyclopentyl]methoxy]-3-methylphenyl]-1,2,4-oxadiazole;(5R)-5-[2,5-dichloro-4-[5-(8-chloro-6-methylimidazo[1,2-a]pyridin-2-yl)-1,2,4-oxadiazol-3-yl]phenoxy]-3-fluoro-1,3-dimethylpiperidin-2-one;(4S)-4-[2,5-dichloro-4-[5-(8-chloro-6-methylimidazo[1,2-a]pyridin-2-yl)-1,2,4-oxadiazol-3-yl]phenoxy]-2-fluoro-2-methylcyclohexan-1-one;(4R)-4-[2,5-dichloro-4-[5-(8-chloro-6-methylimidazo[1,2-a]pyridin-2-yl)-1,2,4-oxadiazol-3-yl]phenoxy]-2-fluoro-2-methylcyclohexan-1-one is C=C1C[C@H](COc2cc(Cl)c(-c3nc(-c4cn5cc(C)cc(Cl)c5n4)no3)cc2Cl)CC1(F)F.C=C1C[C@H](COc2ccc(-c3nc(-c4cn5cc(C)cc(Cl)c5n4)no3)cc2C)CC1(F)F.C=C1C[C@H](COc2ccc(-c3noc(-c4cn5cc(C)cc(Cl)c5n4)n3)cc2C)CC1(F)F.Cc1cc(Cl)c2nc(-c3nc(-c4cc(Cl)c(O[C@@H]5CCC(=O)C(C)(F)C5)cc4Cl)no3)cn2c1.Cc1cc(Cl)c2nc(-c3nc(-c4cc(Cl)c(O[C@@H]5CN(Cl)C(=O)C(C)(F)C5)cc4Cl)no3)cn2c1.Cc1cc(Cl)c2nc(-c3nc(-c4cc(Cl)c(O[C@H]5CCC(=O)C(C)(F)C5)cc4Cl)no3)cn2c1.Cc1cc(Cl)c2nc(-c3nc(-c4cc(Cl)c(O[C@H]5CN(C)C(=O)C(C)(F)C5)cc4Cl)no3)cn2c1.
What is the InChIKey of (5S)-1-chloro-5-[2,5-dichloro-4-[5-(8-chloro-6-methylimidazo[1,2-a]pyridin-2-yl)-1,2,4-oxadiazol-3-yl]phenoxy]-3-fluoro-3-methylpiperidin-2-one;3-(8-chloro-6-methylimidazo[1,2-a]pyridin-2-yl)-5-[2,5-dichloro-4-[[(1S)-3,3-difluoro-4-methylidenecyclopentyl]methoxy]phenyl]-1,2,4-oxadiazole;3-(8-chloro-6-methylimidazo[1,2-a]pyridin-2-yl)-5-[4-[[(1S)-3,3-difluoro-4-methylidenecyclopentyl]methoxy]-3-methylphenyl]-1,2,4-oxadiazole;5-(8-chloro-6-methylimidazo[1,2-a]pyridin-2-yl)-3-[4-[[(1S)-3,3-difluoro-4-methylidenecyclopentyl]methoxy]-3-methylphenyl]-1,2,4-oxadiazole;(5R)-5-[2,5-dichloro-4-[5-(8-chloro-6-methylimidazo[1,2-a]pyridin-2-yl)-1,2,4-oxadiazol-3-yl]phenoxy]-3-fluoro-1,3-dimethylpiperidin-2-one;(4S)-4-[2,5-dichloro-4-[5-(8-chloro-6-methylimidazo[1,2-a]pyridin-2-yl)-1,2,4-oxadiazol-3-yl]phenoxy]-2-fluoro-2-methylcyclohexan-1-one;(4R)-4-[2,5-dichloro-4-[5-(8-chloro-6-methylimidazo[1,2-a]pyridin-2-yl)-1,2,4-oxadiazol-3-yl]phenoxy]-2-fluoro-2-methylcyclohexan-1-one?
The InChIKey is UKIGJOXSUIHPKT-SXMIBAJWSA-N. The full InChI is InChI=1S/2C24H21ClF2N4O2.C23H17Cl3F2N4O2.C23H19Cl3FN5O3.2C23H18Cl3FN4O3.C22H16Cl4FN5O3/c1-13-6-18(25)22-28-19(11-31(22)10-13)21-29-23(33-30-21)17-4-5-20(14(2)7-17)32-12-16-8-15(3)24(26,27)9-16;1-13-6-18(25)22-28-19(11-31(22)10-13)23-29-21(30-33-23)17-4-5-20(14(2)7-17)32-12-16-8-15(3)24(26,27)9-16;1-11-3-17(26)21-29-18(9-32(21)8-11)20-30-22(34-31-20)14-5-16(25)19(6-15(14)24)33-10-13-4-12(2)23(27,28)7-13;1-11-4-16(26)20-28-17(10-32(20)8-11)21-29-19(30-35-21)13-5-15(25)18(6-14(13)24)34-12-7-23(2,27)22(33)31(3)9-12;2*1-11-5-16(26)21-28-17(10-31(21)9-11)22-29-20(30-34-22)13-6-15(25)18(7-14(13)24)33-12-3-4-19(32)23(2,27)8-12;1-10-3-15(25)19-28-16(9-31(19)7-10)20-29-18(30-35-20)12-4-14(24)17(5-13(12)23)34-11-6-22(2,27)21(33)32(26)8-11/h2*4-7,10-11,16H,3,8-9,12H2,1-2H3;3,5-6,8-9,13H,2,4,7,10H2,1H3;4-6,8,10,12H,7,9H2,1-3H3;2*5-7,9-10,12H,3-4,8H2,1-2H3;3-5,7,9,11H,6,8H2,1-2H3/t2*16-;13-;3*12-,23?;11-,22?/m0001100/s1.
What are the key properties of (5S)-1-chloro-5-[2,5-dichloro-4-[5-(8-chloro-6-methylimidazo[1,2-a]pyridin-2-yl)-1,2,4-oxadiazol-3-yl]phenoxy]-3-fluoro-3-methylpiperidin-2-one;3-(8-chloro-6-methylimidazo[1,2-a]pyridin-2-yl)-5-[2,5-dichloro-4-[[(1S)-3,3-difluoro-4-methylidenecyclopentyl]methoxy]phenyl]-1,2,4-oxadiazole;3-(8-chloro-6-methylimidazo[1,2-a]pyridin-2-yl)-5-[4-[[(1S)-3,3-difluoro-4-methylidenecyclopentyl]methoxy]-3-methylphenyl]-1,2,4-oxadiazole;5-(8-chloro-6-methylimidazo[1,2-a]pyridin-2-yl)-3-[4-[[(1S)-3,3-difluoro-4-methylidenecyclopentyl]methoxy]-3-methylphenyl]-1,2,4-oxadiazole;(5R)-5-[2,5-dichloro-4-[5-(8-chloro-6-methylimidazo[1,2-a]pyridin-2-yl)-1,2,4-oxadiazol-3-yl]phenoxy]-3-fluoro-1,3-dimethylpiperidin-2-one;(4S)-4-[2,5-dichloro-4-[5-(8-chloro-6-methylimidazo[1,2-a]pyridin-2-yl)-1,2,4-oxadiazol-3-yl]phenoxy]-2-fluoro-2-methylcyclohexan-1-one;(4R)-4-[2,5-dichloro-4-[5-(8-chloro-6-methylimidazo[1,2-a]pyridin-2-yl)-1,2,4-oxadiazol-3-yl]phenoxy]-2-fluoro-2-methylcyclohexan-1-one?
(5S)-1-chloro-5-[2,5-dichloro-4-[5-(8-chloro-6-methylimidazo[1,2-a]pyridin-2-yl)-1,2,4-oxadiazol-3-yl]phenoxy]-3-fluoro-3-methylpiperidin-2-one;3-(8-chloro-6-methylimidazo[1,2-a]pyridin-2-yl)-5-[2,5-dichloro-4-[[(1S)-3,3-difluoro-4-methylidenecyclopentyl]methoxy]phenyl]-1,2,4-oxadiazole;3-(8-chloro-6-methylimidazo[1,2-a]pyridin-2-yl)-5-[4-[[(1S)-3,3-difluoro-4-methylidenecyclopentyl]methoxy]-3-methylphenyl]-1,2,4-oxadiazole;5-(8-chloro-6-methylimidazo[1,2-a]pyridin-2-yl)-3-[4-[[(1S)-3,3-difluoro-4-methylidenecyclopentyl]methoxy]-3-methylphenyl]-1,2,4-oxadiazole;(5R)-5-[2,5-dichloro-4-[5-(8-chloro-6-methylimidazo[1,2-a]pyridin-2-yl)-1,2,4-oxadiazol-3-yl]phenoxy]-3-fluoro-1,3-dimethylpiperidin-2-one;(4S)-4-[2,5-dichloro-4-[5-(8-chloro-6-methylimidazo[1,2-a]pyridin-2-yl)-1,2,4-oxadiazol-3-yl]phenoxy]-2-fluoro-2-methylcyclohexan-1-one;(4R)-4-[2,5-dichloro-4-[5-(8-chloro-6-methylimidazo[1,2-a]pyridin-2-yl)-1,2,4-oxadiazol-3-yl]phenoxy]-2-fluoro-2-methylcyclohexan-1-one has a molecular weight of 3613.15 g/mol, XLogP of 44.84, 31 rotatable bonds, 0 hydrogen bond donors, and 46 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-1-chloro-5-[2,5-dichloro-4-[5-(8-chloro-6-methylimidazo[1,2-a]pyridin-2-yl)-1,2,4-oxadiazol-3-yl]phenoxy]-3-fluoro-3-methylpiperidin-2-one;3-(8-chloro-6-methylimidazo[1,2-a]pyridin-2-yl)-5-[2,5-dichloro-4-[[(1S)-3,3-difluoro-4-methylidenecyclopentyl]methoxy]phenyl]-1,2,4-oxadiazole;3-(8-chloro-6-methylimidazo[1,2-a]pyridin-2-yl)-5-[4-[[(1S)-3,3-difluoro-4-methylidenecyclopentyl]methoxy]-3-methylphenyl]-1,2,4-oxadiazole;5-(8-chloro-6-methylimidazo[1,2-a]pyridin-2-yl)-3-[4-[[(1S)-3,3-difluoro-4-methylidenecyclopentyl]methoxy]-3-methylphenyl]-1,2,4-oxadiazole;(5R)-5-[2,5-dichloro-4-[5-(8-chloro-6-methylimidazo[1,2-a]pyridin-2-yl)-1,2,4-oxadiazol-3-yl]phenoxy]-3-fluoro-1,3-dimethylpiperidin-2-one;(4S)-4-[2,5-dichloro-4-[5-(8-chloro-6-methylimidazo[1,2-a]pyridin-2-yl)-1,2,4-oxadiazol-3-yl]phenoxy]-2-fluoro-2-methylcyclohexan-1-one;(4R)-4-[2,5-dichloro-4-[5-(8-chloro-6-methylimidazo[1,2-a]pyridin-2-yl)-1,2,4-oxadiazol-3-yl]phenoxy]-2-fluoro-2-methylcyclohexan-1-one is sourced from PubChem (CID 161116068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).