About [(2R,4R)-4-[[5-[4-[4-[[diethyl(oxo)-λ6-sulfanylidene]amino]phenyl]phenyl]-6-fluoro-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-3,3-difluorooxolan-2-yl]methanol;[(2R,4R)-3,3-difluoro-4-[[6-fluoro-5-[4-[4-(imino-methyl-methylidene-λ6-sulfanyl)phenyl]phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]oxolan-2-yl]methanol;[(1R,3R)-3-[[5-[4-(4-ethenylphenyl)phenyl]-6-fluoro-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2,2-difluorocyclopentyl]methanol;4-[4-[4-[2-[(3R,5R)-5-ethyl-4,4-difluorooxolan-3-yl]oxy-6-fluoro-1H-imidazo[4,5-b]pyridin-5-yl]phenyl]cyclohex-3-en-1-yl]imino-1,4-oxathiane 4-oxide;4-[4-[4-[2-[(3R,5R)-5-ethyl-4,4-difluorooxolan-3-yl]oxy-6-fluoro-1H-imidazo[4,5-b]pyridin-5-yl]phenyl]phenyl]imino-1,4-oxathiane 4-oxide
[(2R,4R)-4-[[5-[4-[4-[[diethyl(oxo)-λ6-sulfanylidene]amino]phenyl]phenyl]-6-fluoro-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-3,3-difluorooxolan-2-yl]methanol;[(2R,4R)-3,3-difluoro-4-[[6-fluoro-5-[4-[4-(imino-methyl-methylidene-λ6-sulfanyl)phenyl]phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]oxolan-2-yl]methanol;[(1R,3R)-3-[[5-[4-(4-ethenylphenyl)phenyl]-6-fluoro-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2,2-difluorocyclopentyl]methanol;4-[4-[4-[2-[(3R,5R)-5-ethyl-4,4-difluorooxolan-3-yl]oxy-6-fluoro-1H-imidazo[4,5-b]pyridin-5-yl]phenyl]cyclohex-3-en-1-yl]imino-1,4-oxathiane 4-oxide;4-[4-[4-[2-[(3R,5R)-5-ethyl-4,4-difluorooxolan-3-yl]oxy-6-fluoro-1H-imidazo[4,5-b]pyridin-5-yl]phenyl]phenyl]imino-1,4-oxathiane 4-oxide (PubChem CID 161436758) has the molecular formula C134H130F15N19O17S4
and a molecular weight of 2691.87 g/mol. Its IUPAC name is [(2R,4R)-4-[[5-[4-[4-[[diethyl(oxo)-λ6-sulfanylidene]amino]phenyl]phenyl]-6-fluoro-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-3,3-difluorooxolan-2-yl]methanol;[(2R,4R)-3,3-difluoro-4-[[6-fluoro-5-[4-[4-(imino-methyl-methylidene-λ6-sulfanyl)phenyl]phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]oxolan-2-yl]methanol;[(1R,3R)-3-[[5-[4-(4-ethenylphenyl)phenyl]-6-fluoro-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2,2-difluorocyclopentyl]methanol;4-[4-[4-[2-[(3R,5R)-5-ethyl-4,4-difluorooxolan-3-yl]oxy-6-fluoro-1H-imidazo[4,5-b]pyridin-5-yl]phenyl]cyclohex-3-en-1-yl]imino-1,4-oxathiane 4-oxide;4-[4-[4-[2-[(3R,5R)-5-ethyl-4,4-difluorooxolan-3-yl]oxy-6-fluoro-1H-imidazo[4,5-b]pyridin-5-yl]phenyl]phenyl]imino-1,4-oxathiane 4-oxide.
Frequently Asked Questions
What is the IUPAC name of [(2R,4R)-4-[[5-[4-[4-[[diethyl(oxo)-λ6-sulfanylidene]amino]phenyl]phenyl]-6-fluoro-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-3,3-difluorooxolan-2-yl]methanol;[(2R,4R)-3,3-difluoro-4-[[6-fluoro-5-[4-[4-(imino-methyl-methylidene-λ6-sulfanyl)phenyl]phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]oxolan-2-yl]methanol;[(1R,3R)-3-[[5-[4-(4-ethenylphenyl)phenyl]-6-fluoro-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2,2-difluorocyclopentyl]methanol;4-[4-[4-[2-[(3R,5R)-5-ethyl-4,4-difluorooxolan-3-yl]oxy-6-fluoro-1H-imidazo[4,5-b]pyridin-5-yl]phenyl]cyclohex-3-en-1-yl]imino-1,4-oxathiane 4-oxide;4-[4-[4-[2-[(3R,5R)-5-ethyl-4,4-difluorooxolan-3-yl]oxy-6-fluoro-1H-imidazo[4,5-b]pyridin-5-yl]phenyl]phenyl]imino-1,4-oxathiane 4-oxide?
The IUPAC name of [(2R,4R)-4-[[5-[4-[4-[[diethyl(oxo)-λ6-sulfanylidene]amino]phenyl]phenyl]-6-fluoro-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-3,3-difluorooxolan-2-yl]methanol;[(2R,4R)-3,3-difluoro-4-[[6-fluoro-5-[4-[4-(imino-methyl-methylidene-λ6-sulfanyl)phenyl]phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]oxolan-2-yl]methanol;[(1R,3R)-3-[[5-[4-(4-ethenylphenyl)phenyl]-6-fluoro-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2,2-difluorocyclopentyl]methanol;4-[4-[4-[2-[(3R,5R)-5-ethyl-4,4-difluorooxolan-3-yl]oxy-6-fluoro-1H-imidazo[4,5-b]pyridin-5-yl]phenyl]cyclohex-3-en-1-yl]imino-1,4-oxathiane 4-oxide;4-[4-[4-[2-[(3R,5R)-5-ethyl-4,4-difluorooxolan-3-yl]oxy-6-fluoro-1H-imidazo[4,5-b]pyridin-5-yl]phenyl]phenyl]imino-1,4-oxathiane 4-oxide (CID 161436758) is [(2R,4R)-4-[[5-[4-[4-[[diethyl(oxo)-λ6-sulfanylidene]amino]phenyl]phenyl]-6-fluoro-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-3,3-difluorooxolan-2-yl]methanol;[(2R,4R)-3,3-difluoro-4-[[6-fluoro-5-[4-[4-(imino-methyl-methylidene-λ6-sulfanyl)phenyl]phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]oxolan-2-yl]methanol;[(1R,3R)-3-[[5-[4-(4-ethenylphenyl)phenyl]-6-fluoro-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2,2-difluorocyclopentyl]methanol;4-[4-[4-[2-[(3R,5R)-5-ethyl-4,4-difluorooxolan-3-yl]oxy-6-fluoro-1H-imidazo[4,5-b]pyridin-5-yl]phenyl]cyclohex-3-en-1-yl]imino-1,4-oxathiane 4-oxide;4-[4-[4-[2-[(3R,5R)-5-ethyl-4,4-difluorooxolan-3-yl]oxy-6-fluoro-1H-imidazo[4,5-b]pyridin-5-yl]phenyl]phenyl]imino-1,4-oxathiane 4-oxide.
What is the SMILES notation for [(2R,4R)-4-[[5-[4-[4-[[diethyl(oxo)-λ6-sulfanylidene]amino]phenyl]phenyl]-6-fluoro-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-3,3-difluorooxolan-2-yl]methanol;[(2R,4R)-3,3-difluoro-4-[[6-fluoro-5-[4-[4-(imino-methyl-methylidene-λ6-sulfanyl)phenyl]phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]oxolan-2-yl]methanol;[(1R,3R)-3-[[5-[4-(4-ethenylphenyl)phenyl]-6-fluoro-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2,2-difluorocyclopentyl]methanol;4-[4-[4-[2-[(3R,5R)-5-ethyl-4,4-difluorooxolan-3-yl]oxy-6-fluoro-1H-imidazo[4,5-b]pyridin-5-yl]phenyl]cyclohex-3-en-1-yl]imino-1,4-oxathiane 4-oxide;4-[4-[4-[2-[(3R,5R)-5-ethyl-4,4-difluorooxolan-3-yl]oxy-6-fluoro-1H-imidazo[4,5-b]pyridin-5-yl]phenyl]phenyl]imino-1,4-oxathiane 4-oxide?
The canonical SMILES for [(2R,4R)-4-[[5-[4-[4-[[diethyl(oxo)-λ6-sulfanylidene]amino]phenyl]phenyl]-6-fluoro-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-3,3-difluorooxolan-2-yl]methanol;[(2R,4R)-3,3-difluoro-4-[[6-fluoro-5-[4-[4-(imino-methyl-methylidene-λ6-sulfanyl)phenyl]phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]oxolan-2-yl]methanol;[(1R,3R)-3-[[5-[4-(4-ethenylphenyl)phenyl]-6-fluoro-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2,2-difluorocyclopentyl]methanol;4-[4-[4-[2-[(3R,5R)-5-ethyl-4,4-difluorooxolan-3-yl]oxy-6-fluoro-1H-imidazo[4,5-b]pyridin-5-yl]phenyl]cyclohex-3-en-1-yl]imino-1,4-oxathiane 4-oxide;4-[4-[4-[2-[(3R,5R)-5-ethyl-4,4-difluorooxolan-3-yl]oxy-6-fluoro-1H-imidazo[4,5-b]pyridin-5-yl]phenyl]phenyl]imino-1,4-oxathiane 4-oxide is C=Cc1ccc(-c2ccc(-c3nc4nc(O[C@@H]5CC[C@H](CO)C5(F)F)[nH]c4cc3F)cc2)cc1.CCS(=O)(CC)=Nc1ccc(-c2ccc(-c3nc4nc(O[C@@H]5CO[C@H](CO)C5(F)F)[nH]c4cc3F)cc2)cc1.CC[C@H]1OC[C@@H](Oc2nc3nc(-c4ccc(-c5ccc(N=S6(=O)CCOCC6)cc5)cc4)c(F)cc3[nH]2)C1(F)F.CC[C@H]1OC[C@@H](Oc2nc3nc(-c4ccc(C5=CCC(N=S6(=O)CCOCC6)CC5)cc4)c(F)cc3[nH]2)C1(F)F.[H]N=S(=C)(C)c1ccc(-c2ccc(-c3nc4nc(O[C@@H]5CO[C@H](CO)C5(F)F)[nH]c4cc3F)cc2)cc1.
What is the InChIKey of [(2R,4R)-4-[[5-[4-[4-[[diethyl(oxo)-λ6-sulfanylidene]amino]phenyl]phenyl]-6-fluoro-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-3,3-difluorooxolan-2-yl]methanol;[(2R,4R)-3,3-difluoro-4-[[6-fluoro-5-[4-[4-(imino-methyl-methylidene-λ6-sulfanyl)phenyl]phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]oxolan-2-yl]methanol;[(1R,3R)-3-[[5-[4-(4-ethenylphenyl)phenyl]-6-fluoro-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2,2-difluorocyclopentyl]methanol;4-[4-[4-[2-[(3R,5R)-5-ethyl-4,4-difluorooxolan-3-yl]oxy-6-fluoro-1H-imidazo[4,5-b]pyridin-5-yl]phenyl]cyclohex-3-en-1-yl]imino-1,4-oxathiane 4-oxide;4-[4-[4-[2-[(3R,5R)-5-ethyl-4,4-difluorooxolan-3-yl]oxy-6-fluoro-1H-imidazo[4,5-b]pyridin-5-yl]phenyl]phenyl]imino-1,4-oxathiane 4-oxide?
The InChIKey is VYTAIXJASUHVOL-JNLPLWHQSA-N. The full InChI is InChI=1S/C28H31F3N4O4S.C28H27F3N4O4S.C27H27F3N4O4S.C26H22F3N3O2.C25H23F3N4O3S/c2*1-2-23-28(30,31)24(16-38-23)39-27-32-22-15-21(29)25(33-26(22)34-27)19-5-3-17(4-6-19)18-7-9-20(10-8-18)35-40(36)13-11-37-12-14-40;1-3-39(36,4-2)34-19-11-9-17(10-12-19)16-5-7-18(8-6-16)24-20(28)13-21-25(32-24)33-26(31-21)38-23-15-37-22(14-35)27(23,29)30;1-2-15-3-5-16(6-4-15)17-7-9-18(10-8-17)23-20(27)13-21-24(31-23)32-25(30-21)34-22-12-11-19(14-33)26(22,28)29;1-36(2,29)17-9-7-15(8-10-17)14-3-5-16(6-4-14)22-18(26)11-19-23(31-22)32-24(30-19)35-21-13-34-20(12-33)25(21,27)28/h3-7,15,20,23-24H,2,8-14,16H2,1H3,(H,32,33,34);3-10,15,23-24H,2,11-14,16H2,1H3,(H,32,33,34);5-13,22-23,35H,3-4,14-15H2,1-2H3,(H,31,32,33);2-10,13,19,22,33H,1,11-12,14H2,(H,30,31,32);3-11,20-21,29,33H,1,12-13H2,2H3,(H,30,31,32)/t20?,23-,24-;23-,24-;22-,23-;19-,22-;20-,21-,36?/m11111/s1.
What are the key properties of [(2R,4R)-4-[[5-[4-[4-[[diethyl(oxo)-λ6-sulfanylidene]amino]phenyl]phenyl]-6-fluoro-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-3,3-difluorooxolan-2-yl]methanol;[(2R,4R)-3,3-difluoro-4-[[6-fluoro-5-[4-[4-(imino-methyl-methylidene-λ6-sulfanyl)phenyl]phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]oxolan-2-yl]methanol;[(1R,3R)-3-[[5-[4-(4-ethenylphenyl)phenyl]-6-fluoro-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2,2-difluorocyclopentyl]methanol;4-[4-[4-[2-[(3R,5R)-5-ethyl-4,4-difluorooxolan-3-yl]oxy-6-fluoro-1H-imidazo[4,5-b]pyridin-5-yl]phenyl]cyclohex-3-en-1-yl]imino-1,4-oxathiane 4-oxide;4-[4-[4-[2-[(3R,5R)-5-ethyl-4,4-difluorooxolan-3-yl]oxy-6-fluoro-1H-imidazo[4,5-b]pyridin-5-yl]phenyl]phenyl]imino-1,4-oxathiane 4-oxide?
[(2R,4R)-4-[[5-[4-[4-[[diethyl(oxo)-λ6-sulfanylidene]amino]phenyl]phenyl]-6-fluoro-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-3,3-difluorooxolan-2-yl]methanol;[(2R,4R)-3,3-difluoro-4-[[6-fluoro-5-[4-[4-(imino-methyl-methylidene-λ6-sulfanyl)phenyl]phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]oxolan-2-yl]methanol;[(1R,3R)-3-[[5-[4-(4-ethenylphenyl)phenyl]-6-fluoro-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2,2-difluorocyclopentyl]methanol;4-[4-[4-[2-[(3R,5R)-5-ethyl-4,4-difluorooxolan-3-yl]oxy-6-fluoro-1H-imidazo[4,5-b]pyridin-5-yl]phenyl]cyclohex-3-en-1-yl]imino-1,4-oxathiane 4-oxide;4-[4-[4-[2-[(3R,5R)-5-ethyl-4,4-difluorooxolan-3-yl]oxy-6-fluoro-1H-imidazo[4,5-b]pyridin-5-yl]phenyl]phenyl]imino-1,4-oxathiane 4-oxide has a molecular weight of 2691.87 g/mol, XLogP of 26.89, 32 rotatable bonds, 9 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,4R)-4-[[5-[4-[4-[[diethyl(oxo)-λ6-sulfanylidene]amino]phenyl]phenyl]-6-fluoro-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-3,3-difluorooxolan-2-yl]methanol;[(2R,4R)-3,3-difluoro-4-[[6-fluoro-5-[4-[4-(imino-methyl-methylidene-λ6-sulfanyl)phenyl]phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]oxolan-2-yl]methanol;[(1R,3R)-3-[[5-[4-(4-ethenylphenyl)phenyl]-6-fluoro-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2,2-difluorocyclopentyl]methanol;4-[4-[4-[2-[(3R,5R)-5-ethyl-4,4-difluorooxolan-3-yl]oxy-6-fluoro-1H-imidazo[4,5-b]pyridin-5-yl]phenyl]cyclohex-3-en-1-yl]imino-1,4-oxathiane 4-oxide;4-[4-[4-[2-[(3R,5R)-5-ethyl-4,4-difluorooxolan-3-yl]oxy-6-fluoro-1H-imidazo[4,5-b]pyridin-5-yl]phenyl]phenyl]imino-1,4-oxathiane 4-oxide is sourced from PubChem (CID 161436758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).