1-[3-[[(2R,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl-methylsulfonylamino]propyl]-3-(4-tert-butylphenyl)urea;7-[[(2S,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methylsulfanyl]-1-(4-tert-butylphenyl)heptan-2-one;1-[3-[[(2S,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methylsulfanyl]propyl]-3-(4-tert-butylphenyl)urea;7-[[(2S,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methylsulfinyl]-1-(4-tert-butylphenyl)heptan-2-one;1-[3-[[(2S,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methylsulfinyl]propyl]-3-(4-tert-butylphenyl)urea;7-[[(2S,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methylsulfonyl]-1-(4-tert-butylphenyl)heptan-2-one;1-[3-[[(2S,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methylsulfonyl]propyl]-3-(4-tert-butylphenyl)urea;5-[[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methylsulfonyl]-1-(4-tert-butylphenyl)pentan-2-one

C210H286N42O42S8 — CID 158867596

IUPAC1-[3-[[(2R,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl-methylsulfonylamino]propyl]-3-(4-tert-butylphenyl)urea;7-[[(2S,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methylsulfanyl]-1-(4-tert-butylphenyl)heptan-2-one;1-[3-[[(2S,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methylsulfanyl]propyl]-3-(4-tert-butylphenyl)urea;7-[[(2S,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methylsulfinyl]-1-(4-tert-butylphenyl)heptan-2-one;1-[3-[[(2S,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methylsulfinyl]propyl]-3-(4-tert-butylphenyl)urea;7-[[(2S,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methylsulfonyl]-1-(4-tert-butylphenyl)heptan-2-one;1-[3-[[(2S,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methylsulfonyl]propyl]-3-(4-tert-butylphenyl)urea;5-[[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methylsulfonyl]-1-(4-tert-butylphenyl)pentan-2-one
SMILESCC(C)(C)c1ccc(CC(=O)CCCCCS(=O)(=O)C[C@H]2O[C@@H](n3cnc4c(N)ccnc43)[C@H](O)[C@@H]2O)cc1.CC(C)(C)c1ccc(CC(=O)CCCCCS(=O)C[C@H]2O[C@@H](n3cnc4c(N)ccnc43)[C@H](O)[C@@H]2O)cc1.CC(C)(C)c1ccc(CC(=O)CCCCCSC[C@H]2O[C@@H](n3cnc4c(N)ccnc43)[C@H](O)[C@@H]2O)cc1.CC(C)(C)c1ccc(CC(=O)CCCS(=O)(=O)C[C@H]2O[C@@H](n3cnc4c(N)ncnc43)[C@H](O)[C@@H]2O)cc1.CC(C)(C)c1ccc(NC(=O)NCCCN(C[C@H]2O[C@@H](n3cnc4c(N)ccnc43)[C@H](O)[C@@H]2O)S(C)(=O)=O)cc1.CC(C)(C)c1ccc(NC(=O)NCCCS(=O)(=O)C[C@H]2O[C@@H](n3cnc4c(N)ccnc43)[C@H](O)[C@@H]2O)cc1.CC(C)(C)c1ccc(NC(=O)NCCCS(=O)C[C@H]2O[C@@H](n3cnc4c(N)ccnc43)[C@H](O)[C@@H]2O)cc1.CC(C)(C)c1ccc(NC(=O)NCCCSC[C@H]2O[C@@H](n3cnc4c(N)ccnc43)[C@H](O)[C@@H]2O)cc1
InChIInChI=1S/C28H38N4O6S.C28H38N4O5S.C28H38N4O4S.C26H37N7O6S.C25H34N6O6S.C25H34N6O5S.C25H34N6O4S.C25H33N5O6S/c1-28(2,3)19-10-8-18(9-11-19)15-20(33)7-5-4-6-14-39(36,37)16-22-24(34)25(35)27(38-22)32-17-31-23-21(29)12-13-30-26(23)32;1-28(2,3)19-10-8-18(9-11-19)15-20(33)7-5-4-6-14-38(36)16-22-24(34)25(35)27(37-22)32-17-31-23-21(29)12-13-30-26(23)32;1-28(2,3)19-10-8-18(9-11-19)15-20(33)7-5-4-6-14-37-16-22-24(34)25(35)27(36-22)32-17-31-23-21(29)12-13-30-26(23)32;1-26(2,3)16-6-8-17(9-7-16)31-25(36)29-11-5-13-32(40(4,37)38)14-19-21(34)22(35)24(39-19)33-15-30-20-18(27)10-12-28-23(20)33;1-25(2,3)15-5-7-16(8-6-15)30-24(34)28-10-4-12-38(35,36)13-18-20(32)21(33)23(37-18)31-14-29-19-17(26)9-11-27-22(19)31;1-25(2,3)15-5-7-16(8-6-15)30-24(34)28-10-4-12-37(35)13-18-20(32)21(33)23(36-18)31-14-29-19-17(26)9-11-27-22(19)31;1-25(2,3)15-5-7-16(8-6-15)30-24(34)28-10-4-12-36-13-18-20(32)21(33)23(35-18)31-14-29-19-17(26)9-11-27-22(19)31;1-25(2,3)16-8-6-15(7-9-16)11-17(31)5-4-10-37(34,35)12-18-20(32)21(33)24(36-18)30-14-29-19-22(26)27-13-28-23(19)30/h8-13,17,22,24-25,27,34-35H,4-7,14-16H2,1-3H3,(H2,29,30);8-13,17,22,24-25,27,34-35H,4-7,14-16H2,1-3H3,(H2,29,30);8-13,17,22,24-25,27,34-35H,4-7,14-16H2,1-3H3,(H2,29,30);6-10,12,15,19,21-22,24,34-35H,5,11,13-14H2,1-4H3,(H2,27,28)(H2,29,31,36);5-9,11,14,18,20-21,23,32-33H,4,10,12-13H2,1-3H3,(H2,26,27)(H2,28,30,34);5-9,11,14,18,20-21,23,32-33H,4,10,12-13H2,1-3H3,(H2,26,27)(H2,28,30,34);5-9,11,14,18,20-21,23,32-33H,4,10,12-13H2,1-3H3,(H2,26,27)(H2,28,30,34);6-9,13-14,18,20-21,24,32-33H,4-5,10-12H2,1-3H3,(H2,26,27,28)/t22-,24-,25-,27-;22-,24-,25-,27-,38?;22-,24-,25-,27-;19-,21-,22-,24-;18-,20-,21-,23-;18-,20-,21-,23-,37?;18-,20-,21-,23-;18-,20-,21-,24-/m11111111/s1
InChIKeyJBKZUIRRUAELKR-IHPHFDIVSA-N
MW4327.39 g/mol
LogP18.86
Rot. Bonds75

About 1-[3-[[(2R,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl-methylsulfonylamino]propyl]-3-(4-tert-butylphenyl)urea;7-[[(2S,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methylsulfanyl]-1-(4-tert-butylphenyl)heptan-2-one;1-[3-[[(2S,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methylsulfanyl]propyl]-3-(4-tert-butylphenyl)urea;7-[[(2S,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methylsulfinyl]-1-(4-tert-butylphenyl)heptan-2-one;1-[3-[[(2S,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methylsulfinyl]propyl]-3-(4-tert-butylphenyl)urea;7-[[(2S,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methylsulfonyl]-1-(4-tert-butylphenyl)heptan-2-one;1-[3-[[(2S,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methylsulfonyl]propyl]-3-(4-tert-butylphenyl)urea;5-[[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methylsulfonyl]-1-(4-tert-butylphenyl)pentan-2-one

1-[3-[[(2R,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl-methylsulfonylamino]propyl]-3-(4-tert-butylphenyl)urea;7-[[(2S,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methylsulfanyl]-1-(4-tert-butylphenyl)heptan-2-one;1-[3-[[(2S,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methylsulfanyl]propyl]-3-(4-tert-butylphenyl)urea;7-[[(2S,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methylsulfinyl]-1-(4-tert-butylphenyl)heptan-2-one;1-[3-[[(2S,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methylsulfinyl]propyl]-3-(4-tert-butylphenyl)urea;7-[[(2S,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methylsulfonyl]-1-(4-tert-butylphenyl)heptan-2-one;1-[3-[[(2S,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methylsulfonyl]propyl]-3-(4-tert-butylphenyl)urea;5-[[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methylsulfonyl]-1-(4-tert-butylphenyl)pentan-2-one (PubChem CID 158867596) has the molecular formula C210H286N42O42S8 and a molecular weight of 4327.39 g/mol. Its IUPAC name is 1-[3-[[(2R,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl-methylsulfonylamino]propyl]-3-(4-tert-butylphenyl)urea;7-[[(2S,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methylsulfanyl]-1-(4-tert-butylphenyl)heptan-2-one;1-[3-[[(2S,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methylsulfanyl]propyl]-3-(4-tert-butylphenyl)urea;7-[[(2S,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methylsulfinyl]-1-(4-tert-butylphenyl)heptan-2-one;1-[3-[[(2S,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methylsulfinyl]propyl]-3-(4-tert-butylphenyl)urea;7-[[(2S,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methylsulfonyl]-1-(4-tert-butylphenyl)heptan-2-one;1-[3-[[(2S,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methylsulfonyl]propyl]-3-(4-tert-butylphenyl)urea;5-[[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methylsulfonyl]-1-(4-tert-butylphenyl)pentan-2-one.

Molecular Properties

Compound Name1-[3-[[(2R,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl-methylsulfonylamino]propyl]-3-(4-tert-butylphenyl)urea;7-[[(2S,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methylsulfanyl]-1-(4-tert-butylphenyl)heptan-2-one;1-[3-[[(2S,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methylsulfanyl]propyl]-3-(4-tert-butylphenyl)urea;7-[[(2S,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methylsulfinyl]-1-(4-tert-butylphenyl)heptan-2-one;1-[3-[[(2S,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methylsulfinyl]propyl]-3-(4-tert-butylphenyl)urea;7-[[(2S,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methylsulfonyl]-1-(4-tert-butylphenyl)heptan-2-one;1-[3-[[(2S,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methylsulfonyl]propyl]-3-(4-tert-butylphenyl)urea;5-[[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methylsulfonyl]-1-(4-tert-butylphenyl)pentan-2-one
PubChem CID158867596
Molecular FormulaC210H286N42O42S8
Molecular Weight4327.39 g/mol
Exact Mass4323.93
IUPAC Name1-[3-[[(2R,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl-methylsulfonylamino]propyl]-3-(4-tert-butylphenyl)urea;7-[[(2S,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methylsulfanyl]-1-(4-tert-butylphenyl)heptan-2-one;1-[3-[[(2S,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methylsulfanyl]propyl]-3-(4-tert-butylphenyl)urea;7-[[(2S,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methylsulfinyl]-1-(4-tert-butylphenyl)heptan-2-one;1-[3-[[(2S,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methylsulfinyl]propyl]-3-(4-tert-butylphenyl)urea;7-[[(2S,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methylsulfonyl]-1-(4-tert-butylphenyl)heptan-2-one;1-[3-[[(2S,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methylsulfonyl]propyl]-3-(4-tert-butylphenyl)urea;5-[[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methylsulfonyl]-1-(4-tert-butylphenyl)pentan-2-one
SMILESCC(C)(C)c1ccc(CC(=O)CCCCCS(=O)(=O)C[C@H]2O[C@@H](n3cnc4c(N)ccnc43)[C@H](O)[C@@H]2O)cc1.CC(C)(C)c1ccc(CC(=O)CCCCCS(=O)C[C@H]2O[C@@H](n3cnc4c(N)ccnc43)[C@H](O)[C@@H]2O)cc1.CC(C)(C)c1ccc(CC(=O)CCCCCSC[C@H]2O[C@@H](n3cnc4c(N)ccnc43)[C@H](O)[C@@H]2O)cc1.CC(C)(C)c1ccc(CC(=O)CCCS(=O)(=O)C[C@H]2O[C@@H](n3cnc4c(N)ncnc43)[C@H](O)[C@@H]2O)cc1.CC(C)(C)c1ccc(NC(=O)NCCCN(C[C@H]2O[C@@H](n3cnc4c(N)ccnc43)[C@H](O)[C@@H]2O)S(C)(=O)=O)cc1.CC(C)(C)c1ccc(NC(=O)NCCCS(=O)(=O)C[C@H]2O[C@@H](n3cnc4c(N)ccnc43)[C@H](O)[C@@H]2O)cc1.CC(C)(C)c1ccc(NC(=O)NCCCS(=O)C[C@H]2O[C@@H](n3cnc4c(N)ccnc43)[C@H](O)[C@@H]2O)cc1.CC(C)(C)c1ccc(NC(=O)NCCCSC[C@H]2O[C@@H](n3cnc4c(N)ccnc43)[C@H](O)[C@@H]2O)cc1
InChIInChI=1S/C28H38N4O6S.C28H38N4O5S.C28H38N4O4S.C26H37N7O6S.C25H34N6O6S.C25H34N6O5S.C25H34N6O4S.C25H33N5O6S/c1-28(2,3)19-10-8-18(9-11-19)15-20(33)7-5-4-6-14-39(36,37)16-22-24(34)25(35)27(38-22)32-17-31-23-21(29)12-13-30-26(23)32;1-28(2,3)19-10-8-18(9-11-19)15-20(33)7-5-4-6-14-38(36)16-22-24(34)25(35)27(37-22)32-17-31-23-21(29)12-13-30-26(23)32;1-28(2,3)19-10-8-18(9-11-19)15-20(33)7-5-4-6-14-37-16-22-24(34)25(35)27(36-22)32-17-31-23-21(29)12-13-30-26(23)32;1-26(2,3)16-6-8-17(9-7-16)31-25(36)29-11-5-13-32(40(4,37)38)14-19-21(34)22(35)24(39-19)33-15-30-20-18(27)10-12-28-23(20)33;1-25(2,3)15-5-7-16(8-6-15)30-24(34)28-10-4-12-38(35,36)13-18-20(32)21(33)23(37-18)31-14-29-19-17(26)9-11-27-22(19)31;1-25(2,3)15-5-7-16(8-6-15)30-24(34)28-10-4-12-37(35)13-18-20(32)21(33)23(36-18)31-14-29-19-17(26)9-11-27-22(19)31;1-25(2,3)15-5-7-16(8-6-15)30-24(34)28-10-4-12-36-13-18-20(32)21(33)23(35-18)31-14-29-19-17(26)9-11-27-22(19)31;1-25(2,3)16-8-6-15(7-9-16)11-17(31)5-4-10-37(34,35)12-18-20(32)21(33)24(36-18)30-14-29-19-22(26)27-13-28-23(19)30/h8-13,17,22,24-25,27,34-35H,4-7,14-16H2,1-3H3,(H2,29,30);8-13,17,22,24-25,27,34-35H,4-7,14-16H2,1-3H3,(H2,29,30);8-13,17,22,24-25,27,34-35H,4-7,14-16H2,1-3H3,(H2,29,30);6-10,12,15,19,21-22,24,34-35H,5,11,13-14H2,1-4H3,(H2,27,28)(H2,29,31,36);5-9,11,14,18,20-21,23,32-33H,4,10,12-13H2,1-3H3,(H2,26,27)(H2,28,30,34);5-9,11,14,18,20-21,23,32-33H,4,10,12-13H2,1-3H3,(H2,26,27)(H2,28,30,34);5-9,11,14,18,20-21,23,32-33H,4,10,12-13H2,1-3H3,(H2,26,27)(H2,28,30,34);6-9,13-14,18,20-21,24,32-33H,4-5,10-12H2,1-3H3,(H2,26,27,28)/t22-,24-,25-,27-;22-,24-,25-,27-,38?;22-,24-,25-,27-;19-,21-,22-,24-;18-,20-,21-,23-;18-,20-,21-,23-,37?;18-,20-,21-,23-;18-,20-,21-,24-/m11111111/s1
InChIKeyJBKZUIRRUAELKR-IHPHFDIVSA-N
XLogP18.86
TPSA1270.99 Ų
H-Bond Donors32
H-Bond Acceptors77
Rotatable Bonds75
Heavy Atoms302
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004327.39
LogP ≤ 518.86
H-Bond Donors ≤ 532
H-Bond Acceptors ≤ 1077

Analyze 1-[3-[[(2R,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl-methylsulfonylamino]propyl]-3-(4-tert-butylphenyl)urea;7-[[(2S,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methylsulfanyl]-1-(4-tert-butylphenyl)heptan-2-one;1-[3-[[(2S,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methylsulfanyl]propyl]-3-(4-tert-butylphenyl)urea;7-[[(2S,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methylsulfinyl]-1-(4-tert-butylphenyl)heptan-2-one;1-[3-[[(2S,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methylsulfinyl]propyl]-3-(4-tert-butylphenyl)urea;7-[[(2S,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methylsulfonyl]-1-(4-tert-butylphenyl)heptan-2-one;1-[3-[[(2S,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methylsulfonyl]propyl]-3-(4-tert-butylphenyl)urea;5-[[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methylsulfonyl]-1-(4-tert-butylphenyl)pentan-2-one with MolForge

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Related Compounds

1-[3-[[(2S,3S,4R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methylsulfonyl]propyl]-3-(4-tert-butylphenyl)urea
CID 67989150
1-[3-[[(2S,3R,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methylsulfonyl]propyl]-3-(4-tert-butylphenyl)urea
CID 67973378
1-[4-[[(2S,3S,4R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methylsulfanyl]butyl]-3-(4-tert-butylphenyl)urea
CID 67988948
7-[[(2S,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methylsulfanyl]-1-(4-tert-butylphenyl)heptan-2-one
CID 157172211
(2R,3R,4S,5S)-2-(7-aminoimidazo[4,5-b]pyridin-3-yl)-5-[4-(6-tert-butyl-1H-benzimidazol-2-yl)butylsulfanylmethyl]oxolane-3,4-diol;(2R,3R,4S,5S)-2-(7-aminoimidazo[4,5-b]pyridin-3-yl)-5-[4-(6-tert-butyl-1H-benzimidazol-2-yl)butylsulfonylmethyl]oxolane-3,4-diol;(2R,3R,4S,5R)-2-(7-aminoimidazo[4,5-b]pyridin-3-yl)-5-[[5-(6-tert-butyl-1H-benzimidazol-2-yl)pentyl-propan-2-ylamino]methyl]oxolane-3,4-diol;7-[[(2S,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methylsulfanyl]-1-(4-tert-butylphenyl)heptan-2-one;5-[[(2S,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methylsulfinyl]-1-(4-tert-butylphenyl)pentan-2-one;(2R,3R,4S,5R)-2-(7-aminoimidazo[4,5-b]pyridin-3-yl)-5-[[propan-2-yl-[4-(6-propan-2-yloxy-1H-benzimidazol-2-yl)butyl]amino]methyl]oxolane-3,4-diol
CID 162072579
1-[3-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl-methylamino]propyl]-3-(4-tert-butylphenyl)urea
CID 57384118
1-[3-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl-(2-hydroxyethyl)amino]propyl]-3-(4-tert-butylphenyl)urea
CID 57406960
1-[3-[[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methylsulfanyl]propyl]-3-(4-bromophenyl)urea
CID 70678246
1-[3-[[(4R,6S,6aS)-4-(6-aminopurin-9-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methylsulfinyl]propyl]-3-(4-tert-butylphenyl)urea
CID 67975426
N-[[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl]-3-[(4-tert-butylphenyl)carbamoylamino]-N-methylpropanamide
CID 67973266
N-[3-[[(2R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl-methylamino]propyl]-2-(4-tert-butylphenyl)acetamide
CID 130228092
1-[3-[[(3aR,4R,6S,6aR)-4-(6-aminopurin-9-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methylsulfanyl]propyl]-3-(4-tert-butylphenyl)urea
CID 67973642

Frequently Asked Questions

What is the IUPAC name of 1-[3-[[(2R,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl-methylsulfonylamino]propyl]-3-(4-tert-butylphenyl)urea;7-[[(2S,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methylsulfanyl]-1-(4-tert-butylphenyl)heptan-2-one;1-[3-[[(2S,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methylsulfanyl]propyl]-3-(4-tert-butylphenyl)urea;7-[[(2S,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methylsulfinyl]-1-(4-tert-butylphenyl)heptan-2-one;1-[3-[[(2S,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methylsulfinyl]propyl]-3-(4-tert-butylphenyl)urea;7-[[(2S,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methylsulfonyl]-1-(4-tert-butylphenyl)heptan-2-one;1-[3-[[(2S,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methylsulfonyl]propyl]-3-(4-tert-butylphenyl)urea;5-[[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methylsulfonyl]-1-(4-tert-butylphenyl)pentan-2-one?
The IUPAC name of 1-[3-[[(2R,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl-methylsulfonylamino]propyl]-3-(4-tert-butylphenyl)urea;7-[[(2S,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methylsulfanyl]-1-(4-tert-butylphenyl)heptan-2-one;1-[3-[[(2S,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methylsulfanyl]propyl]-3-(4-tert-butylphenyl)urea;7-[[(2S,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methylsulfinyl]-1-(4-tert-butylphenyl)heptan-2-one;1-[3-[[(2S,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methylsulfinyl]propyl]-3-(4-tert-butylphenyl)urea;7-[[(2S,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methylsulfonyl]-1-(4-tert-butylphenyl)heptan-2-one;1-[3-[[(2S,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methylsulfonyl]propyl]-3-(4-tert-butylphenyl)urea;5-[[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methylsulfonyl]-1-(4-tert-butylphenyl)pentan-2-one (CID 158867596) is 1-[3-[[(2R,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl-methylsulfonylamino]propyl]-3-(4-tert-butylphenyl)urea;7-[[(2S,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methylsulfanyl]-1-(4-tert-butylphenyl)heptan-2-one;1-[3-[[(2S,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methylsulfanyl]propyl]-3-(4-tert-butylphenyl)urea;7-[[(2S,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methylsulfinyl]-1-(4-tert-butylphenyl)heptan-2-one;1-[3-[[(2S,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methylsulfinyl]propyl]-3-(4-tert-butylphenyl)urea;7-[[(2S,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methylsulfonyl]-1-(4-tert-butylphenyl)heptan-2-one;1-[3-[[(2S,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methylsulfonyl]propyl]-3-(4-tert-butylphenyl)urea;5-[[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methylsulfonyl]-1-(4-tert-butylphenyl)pentan-2-one.
What is the SMILES notation for 1-[3-[[(2R,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl-methylsulfonylamino]propyl]-3-(4-tert-butylphenyl)urea;7-[[(2S,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methylsulfanyl]-1-(4-tert-butylphenyl)heptan-2-one;1-[3-[[(2S,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methylsulfanyl]propyl]-3-(4-tert-butylphenyl)urea;7-[[(2S,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methylsulfinyl]-1-(4-tert-butylphenyl)heptan-2-one;1-[3-[[(2S,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methylsulfinyl]propyl]-3-(4-tert-butylphenyl)urea;7-[[(2S,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methylsulfonyl]-1-(4-tert-butylphenyl)heptan-2-one;1-[3-[[(2S,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methylsulfonyl]propyl]-3-(4-tert-butylphenyl)urea;5-[[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methylsulfonyl]-1-(4-tert-butylphenyl)pentan-2-one?
The canonical SMILES for 1-[3-[[(2R,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl-methylsulfonylamino]propyl]-3-(4-tert-butylphenyl)urea;7-[[(2S,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methylsulfanyl]-1-(4-tert-butylphenyl)heptan-2-one;1-[3-[[(2S,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methylsulfanyl]propyl]-3-(4-tert-butylphenyl)urea;7-[[(2S,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methylsulfinyl]-1-(4-tert-butylphenyl)heptan-2-one;1-[3-[[(2S,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methylsulfinyl]propyl]-3-(4-tert-butylphenyl)urea;7-[[(2S,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methylsulfonyl]-1-(4-tert-butylphenyl)heptan-2-one;1-[3-[[(2S,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methylsulfonyl]propyl]-3-(4-tert-butylphenyl)urea;5-[[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methylsulfonyl]-1-(4-tert-butylphenyl)pentan-2-one is CC(C)(C)c1ccc(CC(=O)CCCCCS(=O)(=O)C[C@H]2O[C@@H](n3cnc4c(N)ccnc43)[C@H](O)[C@@H]2O)cc1.CC(C)(C)c1ccc(CC(=O)CCCCCS(=O)C[C@H]2O[C@@H](n3cnc4c(N)ccnc43)[C@H](O)[C@@H]2O)cc1.CC(C)(C)c1ccc(CC(=O)CCCCCSC[C@H]2O[C@@H](n3cnc4c(N)ccnc43)[C@H](O)[C@@H]2O)cc1.CC(C)(C)c1ccc(CC(=O)CCCS(=O)(=O)C[C@H]2O[C@@H](n3cnc4c(N)ncnc43)[C@H](O)[C@@H]2O)cc1.CC(C)(C)c1ccc(NC(=O)NCCCN(C[C@H]2O[C@@H](n3cnc4c(N)ccnc43)[C@H](O)[C@@H]2O)S(C)(=O)=O)cc1.CC(C)(C)c1ccc(NC(=O)NCCCS(=O)(=O)C[C@H]2O[C@@H](n3cnc4c(N)ccnc43)[C@H](O)[C@@H]2O)cc1.CC(C)(C)c1ccc(NC(=O)NCCCS(=O)C[C@H]2O[C@@H](n3cnc4c(N)ccnc43)[C@H](O)[C@@H]2O)cc1.CC(C)(C)c1ccc(NC(=O)NCCCSC[C@H]2O[C@@H](n3cnc4c(N)ccnc43)[C@H](O)[C@@H]2O)cc1.
What is the InChIKey of 1-[3-[[(2R,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl-methylsulfonylamino]propyl]-3-(4-tert-butylphenyl)urea;7-[[(2S,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methylsulfanyl]-1-(4-tert-butylphenyl)heptan-2-one;1-[3-[[(2S,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methylsulfanyl]propyl]-3-(4-tert-butylphenyl)urea;7-[[(2S,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methylsulfinyl]-1-(4-tert-butylphenyl)heptan-2-one;1-[3-[[(2S,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methylsulfinyl]propyl]-3-(4-tert-butylphenyl)urea;7-[[(2S,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methylsulfonyl]-1-(4-tert-butylphenyl)heptan-2-one;1-[3-[[(2S,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methylsulfonyl]propyl]-3-(4-tert-butylphenyl)urea;5-[[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methylsulfonyl]-1-(4-tert-butylphenyl)pentan-2-one?
The InChIKey is JBKZUIRRUAELKR-IHPHFDIVSA-N. The full InChI is InChI=1S/C28H38N4O6S.C28H38N4O5S.C28H38N4O4S.C26H37N7O6S.C25H34N6O6S.C25H34N6O5S.C25H34N6O4S.C25H33N5O6S/c1-28(2,3)19-10-8-18(9-11-19)15-20(33)7-5-4-6-14-39(36,37)16-22-24(34)25(35)27(38-22)32-17-31-23-21(29)12-13-30-26(23)32;1-28(2,3)19-10-8-18(9-11-19)15-20(33)7-5-4-6-14-38(36)16-22-24(34)25(35)27(37-22)32-17-31-23-21(29)12-13-30-26(23)32;1-28(2,3)19-10-8-18(9-11-19)15-20(33)7-5-4-6-14-37-16-22-24(34)25(35)27(36-22)32-17-31-23-21(29)12-13-30-26(23)32;1-26(2,3)16-6-8-17(9-7-16)31-25(36)29-11-5-13-32(40(4,37)38)14-19-21(34)22(35)24(39-19)33-15-30-20-18(27)10-12-28-23(20)33;1-25(2,3)15-5-7-16(8-6-15)30-24(34)28-10-4-12-38(35,36)13-18-20(32)21(33)23(37-18)31-14-29-19-17(26)9-11-27-22(19)31;1-25(2,3)15-5-7-16(8-6-15)30-24(34)28-10-4-12-37(35)13-18-20(32)21(33)23(36-18)31-14-29-19-17(26)9-11-27-22(19)31;1-25(2,3)15-5-7-16(8-6-15)30-24(34)28-10-4-12-36-13-18-20(32)21(33)23(35-18)31-14-29-19-17(26)9-11-27-22(19)31;1-25(2,3)16-8-6-15(7-9-16)11-17(31)5-4-10-37(34,35)12-18-20(32)21(33)24(36-18)30-14-29-19-22(26)27-13-28-23(19)30/h8-13,17,22,24-25,27,34-35H,4-7,14-16H2,1-3H3,(H2,29,30);8-13,17,22,24-25,27,34-35H,4-7,14-16H2,1-3H3,(H2,29,30);8-13,17,22,24-25,27,34-35H,4-7,14-16H2,1-3H3,(H2,29,30);6-10,12,15,19,21-22,24,34-35H,5,11,13-14H2,1-4H3,(H2,27,28)(H2,29,31,36);5-9,11,14,18,20-21,23,32-33H,4,10,12-13H2,1-3H3,(H2,26,27)(H2,28,30,34);5-9,11,14,18,20-21,23,32-33H,4,10,12-13H2,1-3H3,(H2,26,27)(H2,28,30,34);5-9,11,14,18,20-21,23,32-33H,4,10,12-13H2,1-3H3,(H2,26,27)(H2,28,30,34);6-9,13-14,18,20-21,24,32-33H,4-5,10-12H2,1-3H3,(H2,26,27,28)/t22-,24-,25-,27-;22-,24-,25-,27-,38?;22-,24-,25-,27-;19-,21-,22-,24-;18-,20-,21-,23-;18-,20-,21-,23-,37?;18-,20-,21-,23-;18-,20-,21-,24-/m11111111/s1.
What are the key properties of 1-[3-[[(2R,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl-methylsulfonylamino]propyl]-3-(4-tert-butylphenyl)urea;7-[[(2S,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methylsulfanyl]-1-(4-tert-butylphenyl)heptan-2-one;1-[3-[[(2S,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methylsulfanyl]propyl]-3-(4-tert-butylphenyl)urea;7-[[(2S,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methylsulfinyl]-1-(4-tert-butylphenyl)heptan-2-one;1-[3-[[(2S,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methylsulfinyl]propyl]-3-(4-tert-butylphenyl)urea;7-[[(2S,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methylsulfonyl]-1-(4-tert-butylphenyl)heptan-2-one;1-[3-[[(2S,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methylsulfonyl]propyl]-3-(4-tert-butylphenyl)urea;5-[[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methylsulfonyl]-1-(4-tert-butylphenyl)pentan-2-one?
1-[3-[[(2R,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl-methylsulfonylamino]propyl]-3-(4-tert-butylphenyl)urea;7-[[(2S,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methylsulfanyl]-1-(4-tert-butylphenyl)heptan-2-one;1-[3-[[(2S,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methylsulfanyl]propyl]-3-(4-tert-butylphenyl)urea;7-[[(2S,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methylsulfinyl]-1-(4-tert-butylphenyl)heptan-2-one;1-[3-[[(2S,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methylsulfinyl]propyl]-3-(4-tert-butylphenyl)urea;7-[[(2S,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methylsulfonyl]-1-(4-tert-butylphenyl)heptan-2-one;1-[3-[[(2S,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methylsulfonyl]propyl]-3-(4-tert-butylphenyl)urea;5-[[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methylsulfonyl]-1-(4-tert-butylphenyl)pentan-2-one has a molecular weight of 4327.39 g/mol, XLogP of 18.86, 75 rotatable bonds, 32 hydrogen bond donors, and 77 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[[(2R,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl-methylsulfonylamino]propyl]-3-(4-tert-butylphenyl)urea;7-[[(2S,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methylsulfanyl]-1-(4-tert-butylphenyl)heptan-2-one;1-[3-[[(2S,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methylsulfanyl]propyl]-3-(4-tert-butylphenyl)urea;7-[[(2S,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methylsulfinyl]-1-(4-tert-butylphenyl)heptan-2-one;1-[3-[[(2S,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methylsulfinyl]propyl]-3-(4-tert-butylphenyl)urea;7-[[(2S,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methylsulfonyl]-1-(4-tert-butylphenyl)heptan-2-one;1-[3-[[(2S,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methylsulfonyl]propyl]-3-(4-tert-butylphenyl)urea;5-[[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methylsulfonyl]-1-(4-tert-butylphenyl)pentan-2-one is sourced from PubChem (CID 158867596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).