6-chloro-1-(2,2-difluoroethyl)-3-[1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]imidazo[4,5-b]pyridin-2-one;3-[1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-1,6-bis[(2-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-one;3-[1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-6-(2-fluorophenyl)-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-6-(4-methylpyridazin-3-yl)-1H-imidazo[4,5-b]pyridin-2-one;3-[1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-6-[2-(trifluoromethyl)phenoxy]-1H-imidazo[4,5-b]pyridin-2-one

C124H125ClF8N16O27S5 — CID 162087168

IUPAC6-chloro-1-(2,2-difluoroethyl)-3-[1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]imidazo[4,5-b]pyridin-2-one;3-[1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-1,6-bis[(2-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-one;3-[1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-6-(2-fluorophenyl)-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-6-(4-methylpyridazin-3-yl)-1H-imidazo[4,5-b]pyridin-2-one;3-[1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-6-[2-(trifluoromethyl)phenoxy]-1H-imidazo[4,5-b]pyridin-2-one
SMILESCCOc1cc(C(CS(C)(=O)=O)n2c(=O)[nH]c3cc(-c4nnccc4C)cnc32)ccc1OC.CCOc1cc(C(CS(C)(=O)=O)n2c(=O)[nH]c3cc(Oc4ccccc4C(F)(F)F)cnc32)ccc1OC.CCOc1cc(C(CS(C)(=O)=O)n2c(=O)n(CC(F)F)c3cc(Cl)cnc32)ccc1OC.CCOc1cc(C(CS(C)(=O)=O)n2c(=O)n(Cc3ccccc3F)c3cc(Cc4ccccc4F)cnc32)ccc1OC.CCOc1cc(C(CS(C)(=O)=O)n2c(=O)oc3cc(-c4ccccc4F)cnc32)ccc1OC
InChIInChI=1S/C32H31F2N3O5S.C25H24F3N3O6S.C24H23FN2O6S.C23H25N5O5S.C20H22ClF2N3O5S/c1-4-42-30-17-23(13-14-29(30)41-2)28(20-43(3,39)40)37-31-27(36(32(37)38)19-24-10-6-8-12-26(24)34)16-21(18-35-31)15-22-9-5-7-11-25(22)33;1-4-36-22-11-15(9-10-21(22)35-2)19(14-38(3,33)34)31-23-18(30-24(31)32)12-16(13-29-23)37-20-8-6-5-7-17(20)25(26,27)28;1-4-32-21-11-15(9-10-20(21)31-2)19(14-34(3,29)30)27-23-22(33-24(27)28)12-16(13-26-23)17-7-5-6-8-18(17)25;1-5-33-20-11-15(6-7-19(20)32-3)18(13-34(4,30)31)28-22-17(26-23(28)29)10-16(12-24-22)21-14(2)8-9-25-27-21;1-4-31-17-7-12(5-6-16(17)30-2)15(11-32(3,28)29)26-19-14(8-13(21)9-24-19)25(20(26)27)10-18(22)23/h5-14,16-18,28H,4,15,19-20H2,1-3H3;5-13,19H,4,14H2,1-3H3,(H,30,32);5-13,19H,4,14H2,1-3H3;6-12,18H,5,13H2,1-4H3,(H,26,29);5-9,15,18H,4,10-11H2,1-3H3
InChIKeyZDCSWBYUXREZOL-UHFFFAOYSA-N
MW2619.22 g/mol
LogP19.26
Rot. Bonds45

About 6-chloro-1-(2,2-difluoroethyl)-3-[1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]imidazo[4,5-b]pyridin-2-one;3-[1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-1,6-bis[(2-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-one;3-[1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-6-(2-fluorophenyl)-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-6-(4-methylpyridazin-3-yl)-1H-imidazo[4,5-b]pyridin-2-one;3-[1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-6-[2-(trifluoromethyl)phenoxy]-1H-imidazo[4,5-b]pyridin-2-one

6-chloro-1-(2,2-difluoroethyl)-3-[1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]imidazo[4,5-b]pyridin-2-one;3-[1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-1,6-bis[(2-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-one;3-[1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-6-(2-fluorophenyl)-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-6-(4-methylpyridazin-3-yl)-1H-imidazo[4,5-b]pyridin-2-one;3-[1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-6-[2-(trifluoromethyl)phenoxy]-1H-imidazo[4,5-b]pyridin-2-one (PubChem CID 162087168) has the molecular formula C124H125ClF8N16O27S5 and a molecular weight of 2619.22 g/mol. Its IUPAC name is 6-chloro-1-(2,2-difluoroethyl)-3-[1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]imidazo[4,5-b]pyridin-2-one;3-[1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-1,6-bis[(2-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-one;3-[1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-6-(2-fluorophenyl)-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-6-(4-methylpyridazin-3-yl)-1H-imidazo[4,5-b]pyridin-2-one;3-[1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-6-[2-(trifluoromethyl)phenoxy]-1H-imidazo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name6-chloro-1-(2,2-difluoroethyl)-3-[1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]imidazo[4,5-b]pyridin-2-one;3-[1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-1,6-bis[(2-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-one;3-[1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-6-(2-fluorophenyl)-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-6-(4-methylpyridazin-3-yl)-1H-imidazo[4,5-b]pyridin-2-one;3-[1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-6-[2-(trifluoromethyl)phenoxy]-1H-imidazo[4,5-b]pyridin-2-one
PubChem CID162087168
Molecular FormulaC124H125ClF8N16O27S5
Molecular Weight2619.22 g/mol
Exact Mass2616.71
IUPAC Name6-chloro-1-(2,2-difluoroethyl)-3-[1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]imidazo[4,5-b]pyridin-2-one;3-[1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-1,6-bis[(2-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-one;3-[1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-6-(2-fluorophenyl)-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-6-(4-methylpyridazin-3-yl)-1H-imidazo[4,5-b]pyridin-2-one;3-[1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-6-[2-(trifluoromethyl)phenoxy]-1H-imidazo[4,5-b]pyridin-2-one
SMILESCCOc1cc(C(CS(C)(=O)=O)n2c(=O)[nH]c3cc(-c4nnccc4C)cnc32)ccc1OC.CCOc1cc(C(CS(C)(=O)=O)n2c(=O)[nH]c3cc(Oc4ccccc4C(F)(F)F)cnc32)ccc1OC.CCOc1cc(C(CS(C)(=O)=O)n2c(=O)n(CC(F)F)c3cc(Cl)cnc32)ccc1OC.CCOc1cc(C(CS(C)(=O)=O)n2c(=O)n(Cc3ccccc3F)c3cc(Cc4ccccc4F)cnc32)ccc1OC.CCOc1cc(C(CS(C)(=O)=O)n2c(=O)oc3cc(-c4ccccc4F)cnc32)ccc1OC
InChIInChI=1S/C32H31F2N3O5S.C25H24F3N3O6S.C24H23FN2O6S.C23H25N5O5S.C20H22ClF2N3O5S/c1-4-42-30-17-23(13-14-29(30)41-2)28(20-43(3,39)40)37-31-27(36(32(37)38)19-24-10-6-8-12-26(24)34)16-21(18-35-31)15-22-9-5-7-11-25(22)33;1-4-36-22-11-15(9-10-21(22)35-2)19(14-38(3,33)34)31-23-18(30-24(31)32)12-16(13-29-23)37-20-8-6-5-7-17(20)25(26,27)28;1-4-32-21-11-15(9-10-20(21)31-2)19(14-34(3,29)30)27-23-22(33-24(27)28)12-16(13-26-23)17-7-5-6-8-18(17)25;1-5-33-20-11-15(6-7-19(20)32-3)18(13-34(4,30)31)28-22-17(26-23(28)29)10-16(12-24-22)21-14(2)8-9-25-27-21;1-4-31-17-7-12(5-6-16(17)30-2)15(11-32(3,28)29)26-19-14(8-13(21)9-24-19)25(20(26)27)10-18(22)23/h5-14,16-18,28H,4,15,19-20H2,1-3H3;5-13,19H,4,14H2,1-3H3,(H,30,32);5-13,19H,4,14H2,1-3H3;6-12,18H,5,13H2,1-4H3,(H,26,29);5-9,15,18H,4,10-11H2,1-3H3
InChIKeyZDCSWBYUXREZOL-UHFFFAOYSA-N
XLogP19.26
TPSA527.04 Ų
H-Bond Donors2
H-Bond Acceptors41
Rotatable Bonds45
Heavy Atoms181
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002619.22
LogP ≤ 519.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1041

Analyze 6-chloro-1-(2,2-difluoroethyl)-3-[1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]imidazo[4,5-b]pyridin-2-one;3-[1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-1,6-bis[(2-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-one;3-[1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-6-(2-fluorophenyl)-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-6-(4-methylpyridazin-3-yl)-1H-imidazo[4,5-b]pyridin-2-one;3-[1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-6-[2-(trifluoromethyl)phenoxy]-1H-imidazo[4,5-b]pyridin-2-one with MolForge

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Related Compounds

3-[1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-6-(2-fluorophenyl)-[1,3]oxazolo[4,5-b]pyridin-2-one
CID 138710157
6-chloro-1-(2,2-difluoroethyl)-3-[(1S)-1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]imidazo[4,5-b]pyridin-2-one
CID 138710150
6-chloro-1-(2,2-difluoroethyl)-3-[(1R)-1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]imidazo[4,5-b]pyridin-2-one
CID 138710055
3-[1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-6-(2-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-2-one
CID 138710644
6-(2,3-difluorophenyl)-3-[(1S)-1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-1H-imidazo[4,5-b]pyridin-2-one
CID 138710382
3-[1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-6-(2-propan-2-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-one
CID 138710064
3-[(1R)-1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-6-(2-fluorophenyl)-1-propan-2-ylimidazo[4,5-b]pyridin-2-one
CID 138710133
3-[(1R)-1-[4-(difluoromethoxy)-3-ethoxyphenyl]-2-methylsulfonylethyl]-6-(2-fluorophenyl)-1H-benzimidazol-2-one;3-[(1R)-1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-6-(2-ethoxyphenyl)-1H-benzimidazol-2-one;3-[(1R)-1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-6-(4-fluorophenyl)-1H-benzimidazol-2-one;3-[(1R)-1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-6-(3-fluoro-2-pyridinyl)-1H-benzimidazol-2-one;3-[(1R)-1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-6-(3-methylpyrazin-2-yl)-1H-benzimidazol-2-one;3-[(1R)-1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-6-(4-methylpyridazin-3-yl)-1H-benzimidazol-2-one
CID 159518726
3-[(1S)-1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-6-(2-ethylphenyl)-1H-benzimidazol-2-one;1-[(1S)-1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-3-[(2-fluorophenyl)methyl]benzimidazol-2-one;2-[1-[(1S)-1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-2-oxo-3H-benzimidazol-5-yl]benzonitrile;3-[(1S)-1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-6-(2-propan-2-ylphenyl)-1H-benzimidazol-2-one;3-[(1S)-1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-6-[2-(trifluoromethyl)phenyl]-1H-benzimidazol-2-one
CID 158399792
3-[(1S)-1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-6-phenyl-1H-imidazo[4,5-b]pyridin-2-one
CID 138710038
1-(2,2-difluoroethyl)-3-[(1S)-1-[3-[2-[4-[[3-[(1S)-1-[3-[2-[3-[3-[(1S)-1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-7-methyl-2-oxo-1H-imidazo[4,5-b]pyridin-6-yl]phenyl]ethoxy]-4-methoxyphenyl]-2-methylsulfonylethyl]-2-oxo-1H-imidazo[4,5-b]pyridin-7-yl]methyl]-3-fluorophenyl]ethoxy]-4-methoxyphenyl]-2-methylsulfonylethyl]-6-fluoroimidazo[4,5-b]pyridin-2-one
CID 138737059
5-chloro-3-(2,2-difluoroethyl)-1-[1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]benzimidazol-2-one
CID 139306164

Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-(2,2-difluoroethyl)-3-[1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]imidazo[4,5-b]pyridin-2-one;3-[1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-1,6-bis[(2-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-one;3-[1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-6-(2-fluorophenyl)-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-6-(4-methylpyridazin-3-yl)-1H-imidazo[4,5-b]pyridin-2-one;3-[1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-6-[2-(trifluoromethyl)phenoxy]-1H-imidazo[4,5-b]pyridin-2-one?
The IUPAC name of 6-chloro-1-(2,2-difluoroethyl)-3-[1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]imidazo[4,5-b]pyridin-2-one;3-[1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-1,6-bis[(2-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-one;3-[1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-6-(2-fluorophenyl)-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-6-(4-methylpyridazin-3-yl)-1H-imidazo[4,5-b]pyridin-2-one;3-[1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-6-[2-(trifluoromethyl)phenoxy]-1H-imidazo[4,5-b]pyridin-2-one (CID 162087168) is 6-chloro-1-(2,2-difluoroethyl)-3-[1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]imidazo[4,5-b]pyridin-2-one;3-[1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-1,6-bis[(2-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-one;3-[1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-6-(2-fluorophenyl)-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-6-(4-methylpyridazin-3-yl)-1H-imidazo[4,5-b]pyridin-2-one;3-[1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-6-[2-(trifluoromethyl)phenoxy]-1H-imidazo[4,5-b]pyridin-2-one.
What is the SMILES notation for 6-chloro-1-(2,2-difluoroethyl)-3-[1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]imidazo[4,5-b]pyridin-2-one;3-[1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-1,6-bis[(2-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-one;3-[1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-6-(2-fluorophenyl)-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-6-(4-methylpyridazin-3-yl)-1H-imidazo[4,5-b]pyridin-2-one;3-[1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-6-[2-(trifluoromethyl)phenoxy]-1H-imidazo[4,5-b]pyridin-2-one?
The canonical SMILES for 6-chloro-1-(2,2-difluoroethyl)-3-[1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]imidazo[4,5-b]pyridin-2-one;3-[1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-1,6-bis[(2-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-one;3-[1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-6-(2-fluorophenyl)-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-6-(4-methylpyridazin-3-yl)-1H-imidazo[4,5-b]pyridin-2-one;3-[1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-6-[2-(trifluoromethyl)phenoxy]-1H-imidazo[4,5-b]pyridin-2-one is CCOc1cc(C(CS(C)(=O)=O)n2c(=O)[nH]c3cc(-c4nnccc4C)cnc32)ccc1OC.CCOc1cc(C(CS(C)(=O)=O)n2c(=O)[nH]c3cc(Oc4ccccc4C(F)(F)F)cnc32)ccc1OC.CCOc1cc(C(CS(C)(=O)=O)n2c(=O)n(CC(F)F)c3cc(Cl)cnc32)ccc1OC.CCOc1cc(C(CS(C)(=O)=O)n2c(=O)n(Cc3ccccc3F)c3cc(Cc4ccccc4F)cnc32)ccc1OC.CCOc1cc(C(CS(C)(=O)=O)n2c(=O)oc3cc(-c4ccccc4F)cnc32)ccc1OC.
What is the InChIKey of 6-chloro-1-(2,2-difluoroethyl)-3-[1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]imidazo[4,5-b]pyridin-2-one;3-[1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-1,6-bis[(2-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-one;3-[1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-6-(2-fluorophenyl)-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-6-(4-methylpyridazin-3-yl)-1H-imidazo[4,5-b]pyridin-2-one;3-[1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-6-[2-(trifluoromethyl)phenoxy]-1H-imidazo[4,5-b]pyridin-2-one?
The InChIKey is ZDCSWBYUXREZOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H31F2N3O5S.C25H24F3N3O6S.C24H23FN2O6S.C23H25N5O5S.C20H22ClF2N3O5S/c1-4-42-30-17-23(13-14-29(30)41-2)28(20-43(3,39)40)37-31-27(36(32(37)38)19-24-10-6-8-12-26(24)34)16-21(18-35-31)15-22-9-5-7-11-25(22)33;1-4-36-22-11-15(9-10-21(22)35-2)19(14-38(3,33)34)31-23-18(30-24(31)32)12-16(13-29-23)37-20-8-6-5-7-17(20)25(26,27)28;1-4-32-21-11-15(9-10-20(21)31-2)19(14-34(3,29)30)27-23-22(33-24(27)28)12-16(13-26-23)17-7-5-6-8-18(17)25;1-5-33-20-11-15(6-7-19(20)32-3)18(13-34(4,30)31)28-22-17(26-23(28)29)10-16(12-24-22)21-14(2)8-9-25-27-21;1-4-31-17-7-12(5-6-16(17)30-2)15(11-32(3,28)29)26-19-14(8-13(21)9-24-19)25(20(26)27)10-18(22)23/h5-14,16-18,28H,4,15,19-20H2,1-3H3;5-13,19H,4,14H2,1-3H3,(H,30,32);5-13,19H,4,14H2,1-3H3;6-12,18H,5,13H2,1-4H3,(H,26,29);5-9,15,18H,4,10-11H2,1-3H3.
What are the key properties of 6-chloro-1-(2,2-difluoroethyl)-3-[1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]imidazo[4,5-b]pyridin-2-one;3-[1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-1,6-bis[(2-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-one;3-[1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-6-(2-fluorophenyl)-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-6-(4-methylpyridazin-3-yl)-1H-imidazo[4,5-b]pyridin-2-one;3-[1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-6-[2-(trifluoromethyl)phenoxy]-1H-imidazo[4,5-b]pyridin-2-one?
6-chloro-1-(2,2-difluoroethyl)-3-[1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]imidazo[4,5-b]pyridin-2-one;3-[1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-1,6-bis[(2-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-one;3-[1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-6-(2-fluorophenyl)-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-6-(4-methylpyridazin-3-yl)-1H-imidazo[4,5-b]pyridin-2-one;3-[1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-6-[2-(trifluoromethyl)phenoxy]-1H-imidazo[4,5-b]pyridin-2-one has a molecular weight of 2619.22 g/mol, XLogP of 19.26, 45 rotatable bonds, 2 hydrogen bond donors, and 41 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-(2,2-difluoroethyl)-3-[1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]imidazo[4,5-b]pyridin-2-one;3-[1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-1,6-bis[(2-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-one;3-[1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-6-(2-fluorophenyl)-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-6-(4-methylpyridazin-3-yl)-1H-imidazo[4,5-b]pyridin-2-one;3-[1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-6-[2-(trifluoromethyl)phenoxy]-1H-imidazo[4,5-b]pyridin-2-one is sourced from PubChem (CID 162087168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).