(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-N-(5-indazol-1-ylpentyl)-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-N-[[1-(5-methylpyrimidin-4-yl)piperidin-4-yl]methyl]-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-(5-pyrazol-1-ylpentyl)butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[(1-thieno[2,3-d]pyrimidin-4-ylpiperidin-4-yl)methyl]butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[4-[2-(trifluoromethyl)benzimidazol-1-yl]butyl]butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[6-[2-(trifluoromethyl)benzimidazol-1-yl]hexyl]butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[5-[2-(trifluoromethyl)benzimidazol-1-yl]pentyl]butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-N-[3,3-dimethyl-5-[2-(trifluoromethyl)benzimidazol-1-yl]pentyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-N-[[1-[4-fluoro-2-(2-methylpropoxy)phenyl]piperidin-4-yl]methyl]-2,3-dihydroxy-4-oxobutanamide

C221H258F13N37O37S — CID 159822646

IUPAC(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-N-(5-indazol-1-ylpentyl)-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-N-[[1-(5-methylpyrimidin-4-yl)piperidin-4-yl]methyl]-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-(5-pyrazol-1-ylpentyl)butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[(1-thieno[2,3-d]pyrimidin-4-ylpiperidin-4-yl)methyl]butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[4-[2-(trifluoromethyl)benzimidazol-1-yl]butyl]butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[6-[2-(trifluoromethyl)benzimidazol-1-yl]hexyl]butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[5-[2-(trifluoromethyl)benzimidazol-1-yl]pentyl]butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-N-[3,3-dimethyl-5-[2-(trifluoromethyl)benzimidazol-1-yl]pentyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-N-[[1-[4-fluoro-2-(2-methylpropoxy)phenyl]piperidin-4-yl]methyl]-2,3-dihydroxy-4-oxobutanamide
SMILESCC(C)(CCNC(=O)[C@H](O)[C@@H](O)C(=O)N1Cc2ccccc2C1)CCn1c(C(F)(F)F)nc2ccccc21.CC(C)COc1cc(F)ccc1N1CCC(CNC(=O)[C@H](O)[C@@H](O)C(=O)N2Cc3ccccc3C2)CC1.Cc1cncnc1N1CCC(CNC(=O)[C@H](O)[C@@H](O)C(=O)N2Cc3ccccc3C2)CC1.O=C(NCC1CCN(c2ncnc3sccc23)CC1)[C@H](O)[C@@H](O)C(=O)N1Cc2ccccc2C1.O=C(NCCCCCCn1c(C(F)(F)F)nc2ccccc21)[C@H](O)[C@@H](O)C(=O)N1Cc2ccccc2C1.O=C(NCCCCCn1c(C(F)(F)F)nc2ccccc21)[C@H](O)[C@@H](O)C(=O)N1Cc2ccccc2C1.O=C(NCCCCCn1cccn1)[C@H](O)[C@@H](O)C(=O)N1Cc2ccccc2C1.O=C(NCCCCCn1ncc2ccccc21)[C@H](O)[C@@H](O)C(=O)N1Cc2ccccc2C1.O=C(NCCCCn1c(C(F)(F)F)nc2ccccc21)[C@H](O)[C@@H](O)C(=O)N1Cc2ccccc2C1
InChIInChI=1S/C28H36FN3O5.C27H31F3N4O4.C26H29F3N4O4.C25H27F3N4O4.C24H25F3N4O4.C24H27N5O4S.C24H28N4O4.C23H29N5O4.C20H26N4O4/c1-18(2)17-37-24-13-22(29)7-8-23(24)31-11-9-19(10-12-31)14-30-27(35)25(33)26(34)28(36)32-15-20-5-3-4-6-21(20)16-32;1-26(2,12-14-34-20-10-6-5-9-19(20)32-25(34)27(28,29)30)11-13-31-23(37)21(35)22(36)24(38)33-15-17-7-3-4-8-18(17)16-33;27-26(28,29)25-31-19-11-5-6-12-20(19)33(25)14-8-2-1-7-13-30-23(36)21(34)22(35)24(37)32-15-17-9-3-4-10-18(17)16-32;26-25(27,28)24-30-18-10-4-5-11-19(18)32(24)13-7-1-6-12-29-22(35)20(33)21(34)23(36)31-14-16-8-2-3-9-17(16)15-31;25-24(26,27)23-29-17-9-3-4-10-18(17)31(23)12-6-5-11-28-21(34)19(32)20(33)22(35)30-13-15-7-1-2-8-16(15)14-30;30-19(20(31)24(33)29-12-16-3-1-2-4-17(16)13-29)22(32)25-11-15-5-8-28(9-6-15)21-18-7-10-34-23(18)27-14-26-21;29-21(22(30)24(32)27-15-18-9-2-3-10-19(18)16-27)23(31)25-12-6-1-7-13-28-20-11-5-4-8-17(20)14-26-28;1-15-10-24-14-26-21(15)27-8-6-16(7-9-27)11-25-22(31)19(29)20(30)23(32)28-12-17-4-2-3-5-18(17)13-28;25-17(19(27)21-9-4-1-5-11-24-12-6-10-22-24)18(26)20(28)23-13-15-7-2-3-8-16(15)14-23/h3-8,13,18-19,25-26,33-34H,9-12,14-17H2,1-2H3,(H,30,35);3-10,21-22,35-36H,11-16H2,1-2H3,(H,31,37);3-6,9-12,21-22,34-35H,1-2,7-8,13-16H2,(H,30,36);2-5,8-11,20-21,33-34H,1,6-7,12-15H2,(H,29,35);1-4,7-10,19-20,32-33H,5-6,11-14H2,(H,28,34);1-4,7,10,14-15,19-20,30-31H,5-6,8-9,11-13H2,(H,25,32);2-5,8-11,14,21-22,29-30H,1,6-7,12-13,15-16H2,(H,25,31);2-5,10,14,16,19-20,29-30H,6-9,11-13H2,1H3,(H,25,31);2-3,6-8,10,12,17-18,25-26H,1,4-5,9,11,13-14H2,(H,21,27)/t25-,26-;2*21-,22-;20-,21-;2*19-,20-;21-,22-;19-,20-;17-,18-/m111111111/s1
InChIKeyNMLBDLBZZFMICN-ZXSZQZRWSA-N
MW4303.76 g/mol
LogP17.21
Rot. Bonds75

About (2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-N-(5-indazol-1-ylpentyl)-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-N-[[1-(5-methylpyrimidin-4-yl)piperidin-4-yl]methyl]-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-(5-pyrazol-1-ylpentyl)butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[(1-thieno[2,3-d]pyrimidin-4-ylpiperidin-4-yl)methyl]butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[4-[2-(trifluoromethyl)benzimidazol-1-yl]butyl]butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[6-[2-(trifluoromethyl)benzimidazol-1-yl]hexyl]butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[5-[2-(trifluoromethyl)benzimidazol-1-yl]pentyl]butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-N-[3,3-dimethyl-5-[2-(trifluoromethyl)benzimidazol-1-yl]pentyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-N-[[1-[4-fluoro-2-(2-methylpropoxy)phenyl]piperidin-4-yl]methyl]-2,3-dihydroxy-4-oxobutanamide

(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-N-(5-indazol-1-ylpentyl)-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-N-[[1-(5-methylpyrimidin-4-yl)piperidin-4-yl]methyl]-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-(5-pyrazol-1-ylpentyl)butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[(1-thieno[2,3-d]pyrimidin-4-ylpiperidin-4-yl)methyl]butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[4-[2-(trifluoromethyl)benzimidazol-1-yl]butyl]butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[6-[2-(trifluoromethyl)benzimidazol-1-yl]hexyl]butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[5-[2-(trifluoromethyl)benzimidazol-1-yl]pentyl]butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-N-[3,3-dimethyl-5-[2-(trifluoromethyl)benzimidazol-1-yl]pentyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-N-[[1-[4-fluoro-2-(2-methylpropoxy)phenyl]piperidin-4-yl]methyl]-2,3-dihydroxy-4-oxobutanamide (PubChem CID 159822646) has the molecular formula C221H258F13N37O37S and a molecular weight of 4303.76 g/mol. Its IUPAC name is (2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-N-(5-indazol-1-ylpentyl)-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-N-[[1-(5-methylpyrimidin-4-yl)piperidin-4-yl]methyl]-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-(5-pyrazol-1-ylpentyl)butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[(1-thieno[2,3-d]pyrimidin-4-ylpiperidin-4-yl)methyl]butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[4-[2-(trifluoromethyl)benzimidazol-1-yl]butyl]butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[6-[2-(trifluoromethyl)benzimidazol-1-yl]hexyl]butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[5-[2-(trifluoromethyl)benzimidazol-1-yl]pentyl]butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-N-[3,3-dimethyl-5-[2-(trifluoromethyl)benzimidazol-1-yl]pentyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-N-[[1-[4-fluoro-2-(2-methylpropoxy)phenyl]piperidin-4-yl]methyl]-2,3-dihydroxy-4-oxobutanamide.

Molecular Properties

Compound Name(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-N-(5-indazol-1-ylpentyl)-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-N-[[1-(5-methylpyrimidin-4-yl)piperidin-4-yl]methyl]-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-(5-pyrazol-1-ylpentyl)butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[(1-thieno[2,3-d]pyrimidin-4-ylpiperidin-4-yl)methyl]butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[4-[2-(trifluoromethyl)benzimidazol-1-yl]butyl]butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[6-[2-(trifluoromethyl)benzimidazol-1-yl]hexyl]butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[5-[2-(trifluoromethyl)benzimidazol-1-yl]pentyl]butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-N-[3,3-dimethyl-5-[2-(trifluoromethyl)benzimidazol-1-yl]pentyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-N-[[1-[4-fluoro-2-(2-methylpropoxy)phenyl]piperidin-4-yl]methyl]-2,3-dihydroxy-4-oxobutanamide
PubChem CID159822646
Molecular FormulaC221H258F13N37O37S
Molecular Weight4303.76 g/mol
Exact Mass4300.90
IUPAC Name(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-N-(5-indazol-1-ylpentyl)-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-N-[[1-(5-methylpyrimidin-4-yl)piperidin-4-yl]methyl]-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-(5-pyrazol-1-ylpentyl)butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[(1-thieno[2,3-d]pyrimidin-4-ylpiperidin-4-yl)methyl]butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[4-[2-(trifluoromethyl)benzimidazol-1-yl]butyl]butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[6-[2-(trifluoromethyl)benzimidazol-1-yl]hexyl]butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[5-[2-(trifluoromethyl)benzimidazol-1-yl]pentyl]butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-N-[3,3-dimethyl-5-[2-(trifluoromethyl)benzimidazol-1-yl]pentyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-N-[[1-[4-fluoro-2-(2-methylpropoxy)phenyl]piperidin-4-yl]methyl]-2,3-dihydroxy-4-oxobutanamide
SMILESCC(C)(CCNC(=O)[C@H](O)[C@@H](O)C(=O)N1Cc2ccccc2C1)CCn1c(C(F)(F)F)nc2ccccc21.CC(C)COc1cc(F)ccc1N1CCC(CNC(=O)[C@H](O)[C@@H](O)C(=O)N2Cc3ccccc3C2)CC1.Cc1cncnc1N1CCC(CNC(=O)[C@H](O)[C@@H](O)C(=O)N2Cc3ccccc3C2)CC1.O=C(NCC1CCN(c2ncnc3sccc23)CC1)[C@H](O)[C@@H](O)C(=O)N1Cc2ccccc2C1.O=C(NCCCCCCn1c(C(F)(F)F)nc2ccccc21)[C@H](O)[C@@H](O)C(=O)N1Cc2ccccc2C1.O=C(NCCCCCn1c(C(F)(F)F)nc2ccccc21)[C@H](O)[C@@H](O)C(=O)N1Cc2ccccc2C1.O=C(NCCCCCn1cccn1)[C@H](O)[C@@H](O)C(=O)N1Cc2ccccc2C1.O=C(NCCCCCn1ncc2ccccc21)[C@H](O)[C@@H](O)C(=O)N1Cc2ccccc2C1.O=C(NCCCCn1c(C(F)(F)F)nc2ccccc21)[C@H](O)[C@@H](O)C(=O)N1Cc2ccccc2C1
InChIInChI=1S/C28H36FN3O5.C27H31F3N4O4.C26H29F3N4O4.C25H27F3N4O4.C24H25F3N4O4.C24H27N5O4S.C24H28N4O4.C23H29N5O4.C20H26N4O4/c1-18(2)17-37-24-13-22(29)7-8-23(24)31-11-9-19(10-12-31)14-30-27(35)25(33)26(34)28(36)32-15-20-5-3-4-6-21(20)16-32;1-26(2,12-14-34-20-10-6-5-9-19(20)32-25(34)27(28,29)30)11-13-31-23(37)21(35)22(36)24(38)33-15-17-7-3-4-8-18(17)16-33;27-26(28,29)25-31-19-11-5-6-12-20(19)33(25)14-8-2-1-7-13-30-23(36)21(34)22(35)24(37)32-15-17-9-3-4-10-18(17)16-32;26-25(27,28)24-30-18-10-4-5-11-19(18)32(24)13-7-1-6-12-29-22(35)20(33)21(34)23(36)31-14-16-8-2-3-9-17(16)15-31;25-24(26,27)23-29-17-9-3-4-10-18(17)31(23)12-6-5-11-28-21(34)19(32)20(33)22(35)30-13-15-7-1-2-8-16(15)14-30;30-19(20(31)24(33)29-12-16-3-1-2-4-17(16)13-29)22(32)25-11-15-5-8-28(9-6-15)21-18-7-10-34-23(18)27-14-26-21;29-21(22(30)24(32)27-15-18-9-2-3-10-19(18)16-27)23(31)25-12-6-1-7-13-28-20-11-5-4-8-17(20)14-26-28;1-15-10-24-14-26-21(15)27-8-6-16(7-9-27)11-25-22(31)19(29)20(30)23(32)28-12-17-4-2-3-5-18(17)13-28;25-17(19(27)21-9-4-1-5-11-24-12-6-10-22-24)18(26)20(28)23-13-15-7-2-3-8-16(15)14-23/h3-8,13,18-19,25-26,33-34H,9-12,14-17H2,1-2H3,(H,30,35);3-10,21-22,35-36H,11-16H2,1-2H3,(H,31,37);3-6,9-12,21-22,34-35H,1-2,7-8,13-16H2,(H,30,36);2-5,8-11,20-21,33-34H,1,6-7,12-15H2,(H,29,35);1-4,7-10,19-20,32-33H,5-6,11-14H2,(H,28,34);1-4,7,10,14-15,19-20,30-31H,5-6,8-9,11-13H2,(H,25,32);2-5,8-11,14,21-22,29-30H,1,6-7,12-13,15-16H2,(H,25,31);2-5,10,14,16,19-20,29-30H,6-9,11-13H2,1H3,(H,25,31);2-3,6-8,10,12,17-18,25-26H,1,4-5,9,11,13-14H2,(H,21,27)/t25-,26-;2*21-,22-;20-,21-;2*19-,20-;21-,22-;19-,20-;17-,18-/m111111111/s1
InChIKeyNMLBDLBZZFMICN-ZXSZQZRWSA-N
XLogP17.21
TPSA986.26 Ų
H-Bond Donors27
H-Bond Acceptors57
Rotatable Bonds75
Heavy Atoms309
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004303.76
LogP ≤ 517.21
H-Bond Donors ≤ 527
H-Bond Acceptors ≤ 1057

Analyze (2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-N-(5-indazol-1-ylpentyl)-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-N-[[1-(5-methylpyrimidin-4-yl)piperidin-4-yl]methyl]-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-(5-pyrazol-1-ylpentyl)butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[(1-thieno[2,3-d]pyrimidin-4-ylpiperidin-4-yl)methyl]butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[4-[2-(trifluoromethyl)benzimidazol-1-yl]butyl]butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[6-[2-(trifluoromethyl)benzimidazol-1-yl]hexyl]butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[5-[2-(trifluoromethyl)benzimidazol-1-yl]pentyl]butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-N-[3,3-dimethyl-5-[2-(trifluoromethyl)benzimidazol-1-yl]pentyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-N-[[1-[4-fluoro-2-(2-methylpropoxy)phenyl]piperidin-4-yl]methyl]-2,3-dihydroxy-4-oxobutanamide with MolForge

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What is the IUPAC name of (2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-N-(5-indazol-1-ylpentyl)-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-N-[[1-(5-methylpyrimidin-4-yl)piperidin-4-yl]methyl]-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-(5-pyrazol-1-ylpentyl)butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[(1-thieno[2,3-d]pyrimidin-4-ylpiperidin-4-yl)methyl]butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[4-[2-(trifluoromethyl)benzimidazol-1-yl]butyl]butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[6-[2-(trifluoromethyl)benzimidazol-1-yl]hexyl]butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[5-[2-(trifluoromethyl)benzimidazol-1-yl]pentyl]butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-N-[3,3-dimethyl-5-[2-(trifluoromethyl)benzimidazol-1-yl]pentyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-N-[[1-[4-fluoro-2-(2-methylpropoxy)phenyl]piperidin-4-yl]methyl]-2,3-dihydroxy-4-oxobutanamide?
The IUPAC name of (2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-N-(5-indazol-1-ylpentyl)-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-N-[[1-(5-methylpyrimidin-4-yl)piperidin-4-yl]methyl]-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-(5-pyrazol-1-ylpentyl)butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[(1-thieno[2,3-d]pyrimidin-4-ylpiperidin-4-yl)methyl]butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[4-[2-(trifluoromethyl)benzimidazol-1-yl]butyl]butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[6-[2-(trifluoromethyl)benzimidazol-1-yl]hexyl]butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[5-[2-(trifluoromethyl)benzimidazol-1-yl]pentyl]butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-N-[3,3-dimethyl-5-[2-(trifluoromethyl)benzimidazol-1-yl]pentyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-N-[[1-[4-fluoro-2-(2-methylpropoxy)phenyl]piperidin-4-yl]methyl]-2,3-dihydroxy-4-oxobutanamide (CID 159822646) is (2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-N-(5-indazol-1-ylpentyl)-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-N-[[1-(5-methylpyrimidin-4-yl)piperidin-4-yl]methyl]-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-(5-pyrazol-1-ylpentyl)butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[(1-thieno[2,3-d]pyrimidin-4-ylpiperidin-4-yl)methyl]butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[4-[2-(trifluoromethyl)benzimidazol-1-yl]butyl]butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[6-[2-(trifluoromethyl)benzimidazol-1-yl]hexyl]butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[5-[2-(trifluoromethyl)benzimidazol-1-yl]pentyl]butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-N-[3,3-dimethyl-5-[2-(trifluoromethyl)benzimidazol-1-yl]pentyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-N-[[1-[4-fluoro-2-(2-methylpropoxy)phenyl]piperidin-4-yl]methyl]-2,3-dihydroxy-4-oxobutanamide.
What is the SMILES notation for (2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-N-(5-indazol-1-ylpentyl)-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-N-[[1-(5-methylpyrimidin-4-yl)piperidin-4-yl]methyl]-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-(5-pyrazol-1-ylpentyl)butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[(1-thieno[2,3-d]pyrimidin-4-ylpiperidin-4-yl)methyl]butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[4-[2-(trifluoromethyl)benzimidazol-1-yl]butyl]butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[6-[2-(trifluoromethyl)benzimidazol-1-yl]hexyl]butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[5-[2-(trifluoromethyl)benzimidazol-1-yl]pentyl]butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-N-[3,3-dimethyl-5-[2-(trifluoromethyl)benzimidazol-1-yl]pentyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-N-[[1-[4-fluoro-2-(2-methylpropoxy)phenyl]piperidin-4-yl]methyl]-2,3-dihydroxy-4-oxobutanamide?
The canonical SMILES for (2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-N-(5-indazol-1-ylpentyl)-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-N-[[1-(5-methylpyrimidin-4-yl)piperidin-4-yl]methyl]-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-(5-pyrazol-1-ylpentyl)butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[(1-thieno[2,3-d]pyrimidin-4-ylpiperidin-4-yl)methyl]butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[4-[2-(trifluoromethyl)benzimidazol-1-yl]butyl]butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[6-[2-(trifluoromethyl)benzimidazol-1-yl]hexyl]butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[5-[2-(trifluoromethyl)benzimidazol-1-yl]pentyl]butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-N-[3,3-dimethyl-5-[2-(trifluoromethyl)benzimidazol-1-yl]pentyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-N-[[1-[4-fluoro-2-(2-methylpropoxy)phenyl]piperidin-4-yl]methyl]-2,3-dihydroxy-4-oxobutanamide is CC(C)(CCNC(=O)[C@H](O)[C@@H](O)C(=O)N1Cc2ccccc2C1)CCn1c(C(F)(F)F)nc2ccccc21.CC(C)COc1cc(F)ccc1N1CCC(CNC(=O)[C@H](O)[C@@H](O)C(=O)N2Cc3ccccc3C2)CC1.Cc1cncnc1N1CCC(CNC(=O)[C@H](O)[C@@H](O)C(=O)N2Cc3ccccc3C2)CC1.O=C(NCC1CCN(c2ncnc3sccc23)CC1)[C@H](O)[C@@H](O)C(=O)N1Cc2ccccc2C1.O=C(NCCCCCCn1c(C(F)(F)F)nc2ccccc21)[C@H](O)[C@@H](O)C(=O)N1Cc2ccccc2C1.O=C(NCCCCCn1c(C(F)(F)F)nc2ccccc21)[C@H](O)[C@@H](O)C(=O)N1Cc2ccccc2C1.O=C(NCCCCCn1cccn1)[C@H](O)[C@@H](O)C(=O)N1Cc2ccccc2C1.O=C(NCCCCCn1ncc2ccccc21)[C@H](O)[C@@H](O)C(=O)N1Cc2ccccc2C1.O=C(NCCCCn1c(C(F)(F)F)nc2ccccc21)[C@H](O)[C@@H](O)C(=O)N1Cc2ccccc2C1.
What is the InChIKey of (2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-N-(5-indazol-1-ylpentyl)-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-N-[[1-(5-methylpyrimidin-4-yl)piperidin-4-yl]methyl]-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-(5-pyrazol-1-ylpentyl)butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[(1-thieno[2,3-d]pyrimidin-4-ylpiperidin-4-yl)methyl]butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[4-[2-(trifluoromethyl)benzimidazol-1-yl]butyl]butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[6-[2-(trifluoromethyl)benzimidazol-1-yl]hexyl]butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[5-[2-(trifluoromethyl)benzimidazol-1-yl]pentyl]butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-N-[3,3-dimethyl-5-[2-(trifluoromethyl)benzimidazol-1-yl]pentyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-N-[[1-[4-fluoro-2-(2-methylpropoxy)phenyl]piperidin-4-yl]methyl]-2,3-dihydroxy-4-oxobutanamide?
The InChIKey is NMLBDLBZZFMICN-ZXSZQZRWSA-N. The full InChI is InChI=1S/C28H36FN3O5.C27H31F3N4O4.C26H29F3N4O4.C25H27F3N4O4.C24H25F3N4O4.C24H27N5O4S.C24H28N4O4.C23H29N5O4.C20H26N4O4/c1-18(2)17-37-24-13-22(29)7-8-23(24)31-11-9-19(10-12-31)14-30-27(35)25(33)26(34)28(36)32-15-20-5-3-4-6-21(20)16-32;1-26(2,12-14-34-20-10-6-5-9-19(20)32-25(34)27(28,29)30)11-13-31-23(37)21(35)22(36)24(38)33-15-17-7-3-4-8-18(17)16-33;27-26(28,29)25-31-19-11-5-6-12-20(19)33(25)14-8-2-1-7-13-30-23(36)21(34)22(35)24(37)32-15-17-9-3-4-10-18(17)16-32;26-25(27,28)24-30-18-10-4-5-11-19(18)32(24)13-7-1-6-12-29-22(35)20(33)21(34)23(36)31-14-16-8-2-3-9-17(16)15-31;25-24(26,27)23-29-17-9-3-4-10-18(17)31(23)12-6-5-11-28-21(34)19(32)20(33)22(35)30-13-15-7-1-2-8-16(15)14-30;30-19(20(31)24(33)29-12-16-3-1-2-4-17(16)13-29)22(32)25-11-15-5-8-28(9-6-15)21-18-7-10-34-23(18)27-14-26-21;29-21(22(30)24(32)27-15-18-9-2-3-10-19(18)16-27)23(31)25-12-6-1-7-13-28-20-11-5-4-8-17(20)14-26-28;1-15-10-24-14-26-21(15)27-8-6-16(7-9-27)11-25-22(31)19(29)20(30)23(32)28-12-17-4-2-3-5-18(17)13-28;25-17(19(27)21-9-4-1-5-11-24-12-6-10-22-24)18(26)20(28)23-13-15-7-2-3-8-16(15)14-23/h3-8,13,18-19,25-26,33-34H,9-12,14-17H2,1-2H3,(H,30,35);3-10,21-22,35-36H,11-16H2,1-2H3,(H,31,37);3-6,9-12,21-22,34-35H,1-2,7-8,13-16H2,(H,30,36);2-5,8-11,20-21,33-34H,1,6-7,12-15H2,(H,29,35);1-4,7-10,19-20,32-33H,5-6,11-14H2,(H,28,34);1-4,7,10,14-15,19-20,30-31H,5-6,8-9,11-13H2,(H,25,32);2-5,8-11,14,21-22,29-30H,1,6-7,12-13,15-16H2,(H,25,31);2-5,10,14,16,19-20,29-30H,6-9,11-13H2,1H3,(H,25,31);2-3,6-8,10,12,17-18,25-26H,1,4-5,9,11,13-14H2,(H,21,27)/t25-,26-;2*21-,22-;20-,21-;2*19-,20-;21-,22-;19-,20-;17-,18-/m111111111/s1.
What are the key properties of (2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-N-(5-indazol-1-ylpentyl)-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-N-[[1-(5-methylpyrimidin-4-yl)piperidin-4-yl]methyl]-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-(5-pyrazol-1-ylpentyl)butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[(1-thieno[2,3-d]pyrimidin-4-ylpiperidin-4-yl)methyl]butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[4-[2-(trifluoromethyl)benzimidazol-1-yl]butyl]butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[6-[2-(trifluoromethyl)benzimidazol-1-yl]hexyl]butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[5-[2-(trifluoromethyl)benzimidazol-1-yl]pentyl]butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-N-[3,3-dimethyl-5-[2-(trifluoromethyl)benzimidazol-1-yl]pentyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-N-[[1-[4-fluoro-2-(2-methylpropoxy)phenyl]piperidin-4-yl]methyl]-2,3-dihydroxy-4-oxobutanamide?
(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-N-(5-indazol-1-ylpentyl)-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-N-[[1-(5-methylpyrimidin-4-yl)piperidin-4-yl]methyl]-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-(5-pyrazol-1-ylpentyl)butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[(1-thieno[2,3-d]pyrimidin-4-ylpiperidin-4-yl)methyl]butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[4-[2-(trifluoromethyl)benzimidazol-1-yl]butyl]butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[6-[2-(trifluoromethyl)benzimidazol-1-yl]hexyl]butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[5-[2-(trifluoromethyl)benzimidazol-1-yl]pentyl]butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-N-[3,3-dimethyl-5-[2-(trifluoromethyl)benzimidazol-1-yl]pentyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-N-[[1-[4-fluoro-2-(2-methylpropoxy)phenyl]piperidin-4-yl]methyl]-2,3-dihydroxy-4-oxobutanamide has a molecular weight of 4303.76 g/mol, XLogP of 17.21, 75 rotatable bonds, 27 hydrogen bond donors, and 57 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-N-(5-indazol-1-ylpentyl)-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-N-[[1-(5-methylpyrimidin-4-yl)piperidin-4-yl]methyl]-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-(5-pyrazol-1-ylpentyl)butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[(1-thieno[2,3-d]pyrimidin-4-ylpiperidin-4-yl)methyl]butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[4-[2-(trifluoromethyl)benzimidazol-1-yl]butyl]butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[6-[2-(trifluoromethyl)benzimidazol-1-yl]hexyl]butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[5-[2-(trifluoromethyl)benzimidazol-1-yl]pentyl]butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-N-[3,3-dimethyl-5-[2-(trifluoromethyl)benzimidazol-1-yl]pentyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-N-[[1-[4-fluoro-2-(2-methylpropoxy)phenyl]piperidin-4-yl]methyl]-2,3-dihydroxy-4-oxobutanamide is sourced from PubChem (CID 159822646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).