(2R,3R)-N-[(1R)-1-(4-bromo-3-methoxyphenyl)ethyl]-4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2,3-dihydroxy-2-methyl-4-oxobutanamide;(2R,3R)-N-[(1R)-1-[4-(2-cyanopyrrol-1-yl)phenyl]ethyl]-4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2,3-dihydroxy-2-methyl-4-oxobutanamide;(2R,3R)-N-[(1R)-1-[4-[3-(2-cyclohexylethoxy)phenyl]phenyl]ethyl]-4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2,3-dihydroxy-2-methyl-4-oxobutanamide;(2R,3R)-N-[(1R)-1-[4-[3-(2-cyclohexylethoxy)phenyl]phenyl]ethyl]-4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2,3-dihydroxy-N-[(1R)-1-(3-hydroxyphenyl)ethyl]-4-oxobutanamide;(2R,3R)-4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2,3-dihydroxy-N-[(1R)-1-(3-methoxyphenyl)ethyl]-4-oxobutanamide;(2R,3R)-4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2,3-dihydroxy-N-[(1R)-1-(3-methoxy-4-pyrazol-1-ylphenyl)ethyl]-2-methyl-4-oxobutanamide;(2R,3R)-4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2,3-dihydroxy-2-methyl-4-oxo-N-[(1R)-1-(3-phenylmethoxy-4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2,3-dihydroxy-4-oxo-N-[(1R)-1-(3-phenylmethoxyphenyl)ethyl]butanamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-[(2R)-2-phenylpyrrolidin-1-yl]-N-[[4-[2-(trifluoromethyl)benzimidazol-1-yl]cyclohexyl]methyl]butanamide

C261H291BrF3N37O48 — CID 159318726

IUPAC(2R,3R)-N-[(1R)-1-(4-bromo-3-methoxyphenyl)ethyl]-4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2,3-dihydroxy-2-methyl-4-oxobutanamide;(2R,3R)-N-[(1R)-1-[4-(2-cyanopyrrol-1-yl)phenyl]ethyl]-4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2,3-dihydroxy-2-methyl-4-oxobutanamide;(2R,3R)-N-[(1R)-1-[4-[3-(2-cyclohexylethoxy)phenyl]phenyl]ethyl]-4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2,3-dihydroxy-2-methyl-4-oxobutanamide;(2R,3R)-N-[(1R)-1-[4-[3-(2-cyclohexylethoxy)phenyl]phenyl]ethyl]-4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2,3-dihydroxy-N-[(1R)-1-(3-hydroxyphenyl)ethyl]-4-oxobutanamide;(2R,3R)-4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2,3-dihydroxy-N-[(1R)-1-(3-methoxyphenyl)ethyl]-4-oxobutanamide;(2R,3R)-4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2,3-dihydroxy-N-[(1R)-1-(3-methoxy-4-pyrazol-1-ylphenyl)ethyl]-2-methyl-4-oxobutanamide;(2R,3R)-4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2,3-dihydroxy-2-methyl-4-oxo-N-[(1R)-1-(3-phenylmethoxy-4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2,3-dihydroxy-4-oxo-N-[(1R)-1-(3-phenylmethoxyphenyl)ethyl]butanamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-[(2R)-2-phenylpyrrolidin-1-yl]-N-[[4-[2-(trifluoromethyl)benzimidazol-1-yl]cyclohexyl]methyl]butanamide
SMILESCOc1cc([C@@H](C)NC(=O)[C@](C)(O)[C@@H](O)C(=O)N2Cc3cccnc3C2)ccc1-n1cccn1.COc1cc([C@@H](C)NC(=O)[C@](C)(O)[C@@H](O)C(=O)N2Cc3cccnc3C2)ccc1Br.COc1cccc([C@@H](C)NC(=O)[C@H](O)[C@@H](O)C(=O)N2Cc3cccnc3C2)c1.C[C@@H](NC(=O)[C@H](O)[C@@H](O)C(=O)N1Cc2cccnc2C1)c1ccc(-c2cccc(OCCC3CCCCC3)c2)cc1.C[C@@H](NC(=O)[C@H](O)[C@@H](O)C(=O)N1Cc2cccnc2C1)c1cccc(O)c1.C[C@@H](NC(=O)[C@H](O)[C@@H](O)C(=O)N1Cc2cccnc2C1)c1cccc(OCc2ccccc2)c1.C[C@@H](NC(=O)[C@](C)(O)[C@@H](O)C(=O)N1Cc2cccnc2C1)c1ccc(-c2cccc(OCCC3CCCCC3)c2)cc1.C[C@@H](NC(=O)[C@](C)(O)[C@@H](O)C(=O)N1Cc2cccnc2C1)c1ccc(-n2cccc2C#N)cc1.C[C@@H](NC(=O)[C@](C)(O)[C@@H](O)C(=O)N1Cc2cccnc2C1)c1ccc(-n2cccn2)c(OCc2ccccc2)c1.O=C(NCC1CCC(n2c(C(F)(F)F)nc3ccccc32)CC1)[C@H](O)[C@@H](O)C(=O)N1CCC[C@@H]1c1ccccc1
InChIInChI=1S/C34H41N3O5.C33H39N3O5.C30H31N5O5.C29H33F3N4O4.C26H27N3O5.C25H25N5O4.C24H27N5O5.C21H24BrN3O5.C20H23N3O5.C19H21N3O5/c1-23(36-33(40)34(2,41)31(38)32(39)37-21-28-11-7-18-35-30(28)22-37)25-13-15-26(16-14-25)27-10-6-12-29(20-27)42-19-17-24-8-4-3-5-9-24;1-22(35-32(39)30(37)31(38)33(40)36-20-27-10-6-17-34-29(27)21-36)24-12-14-25(15-13-24)26-9-5-11-28(19-26)41-18-16-23-7-3-2-4-8-23;1-20(33-29(38)30(2,39)27(36)28(37)34-17-23-10-6-13-31-24(23)18-34)22-11-12-25(35-15-7-14-32-35)26(16-22)40-19-21-8-4-3-5-9-21;30-29(31,32)28-34-21-9-4-5-10-23(21)36(28)20-14-12-18(13-15-20)17-33-26(39)24(37)25(38)27(40)35-16-6-11-22(35)19-7-2-1-3-8-19;1-17(19-9-5-11-21(13-19)34-16-18-7-3-2-4-8-18)28-25(32)23(30)24(31)26(33)29-14-20-10-6-12-27-22(20)15-29;1-16(17-7-9-19(10-8-17)30-12-4-6-20(30)13-26)28-24(33)25(2,34)22(31)23(32)29-14-18-5-3-11-27-21(18)15-29;1-15(16-7-8-19(20(12-16)34-3)29-11-5-10-26-29)27-23(32)24(2,33)21(30)22(31)28-13-17-6-4-9-25-18(17)14-28;1-12(13-6-7-15(22)17(9-13)30-3)24-20(28)21(2,29)18(26)19(27)25-10-14-5-4-8-23-16(14)11-25;1-12(13-5-3-7-15(9-13)28-2)22-19(26)17(24)18(25)20(27)23-10-14-6-4-8-21-16(14)11-23;1-11(12-4-2-6-14(23)8-12)21-18(26)16(24)17(25)19(27)22-9-13-5-3-7-20-15(13)10-22/h6-7,10-16,18,20,23-24,31,38,41H,3-5,8-9,17,19,21-22H2,1-2H3,(H,36,40);5-6,9-15,17,19,22-23,30-31,37-38H,2-4,7-8,16,18,20-21H2,1H3,(H,35,39);3-16,20,27,36,39H,17-19H2,1-2H3,(H,33,38);1-5,7-10,18,20,22,24-25,37-38H,6,11-17H2,(H,33,39);2-13,17,23-24,30-31H,14-16H2,1H3,(H,28,32);3-12,16,22,31,34H,14-15H2,1-2H3,(H,28,33);4-12,15,21,30,33H,13-14H2,1-3H3,(H,27,32);4-9,12,18,26,29H,10-11H2,1-3H3,(H,24,28);3-9,12,17-18,24-25H,10-11H2,1-2H3,(H,22,26);2-8,11,16-17,23-25H,9-10H2,1H3,(H,21,26)/t23-,31+,34-;22-,30-,31-;20-,27+,30-;18?,20?,22-,24-,25-;17-,23-,24-;16-,22+,25-;15-,21+,24-;12-,18+,21-;12-,17-,18-;11-,16-,17-/m1111111111/s1
InChIKeyLDMCDFPXZLIZDT-WTOVMYSSSA-N
MW4851.31 g/mol
LogP23.36
Rot. Bonds74

About (2R,3R)-N-[(1R)-1-(4-bromo-3-methoxyphenyl)ethyl]-4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2,3-dihydroxy-2-methyl-4-oxobutanamide;(2R,3R)-N-[(1R)-1-[4-(2-cyanopyrrol-1-yl)phenyl]ethyl]-4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2,3-dihydroxy-2-methyl-4-oxobutanamide;(2R,3R)-N-[(1R)-1-[4-[3-(2-cyclohexylethoxy)phenyl]phenyl]ethyl]-4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2,3-dihydroxy-2-methyl-4-oxobutanamide;(2R,3R)-N-[(1R)-1-[4-[3-(2-cyclohexylethoxy)phenyl]phenyl]ethyl]-4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2,3-dihydroxy-N-[(1R)-1-(3-hydroxyphenyl)ethyl]-4-oxobutanamide;(2R,3R)-4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2,3-dihydroxy-N-[(1R)-1-(3-methoxyphenyl)ethyl]-4-oxobutanamide;(2R,3R)-4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2,3-dihydroxy-N-[(1R)-1-(3-methoxy-4-pyrazol-1-ylphenyl)ethyl]-2-methyl-4-oxobutanamide;(2R,3R)-4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2,3-dihydroxy-2-methyl-4-oxo-N-[(1R)-1-(3-phenylmethoxy-4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2,3-dihydroxy-4-oxo-N-[(1R)-1-(3-phenylmethoxyphenyl)ethyl]butanamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-[(2R)-2-phenylpyrrolidin-1-yl]-N-[[4-[2-(trifluoromethyl)benzimidazol-1-yl]cyclohexyl]methyl]butanamide

(2R,3R)-N-[(1R)-1-(4-bromo-3-methoxyphenyl)ethyl]-4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2,3-dihydroxy-2-methyl-4-oxobutanamide;(2R,3R)-N-[(1R)-1-[4-(2-cyanopyrrol-1-yl)phenyl]ethyl]-4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2,3-dihydroxy-2-methyl-4-oxobutanamide;(2R,3R)-N-[(1R)-1-[4-[3-(2-cyclohexylethoxy)phenyl]phenyl]ethyl]-4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2,3-dihydroxy-2-methyl-4-oxobutanamide;(2R,3R)-N-[(1R)-1-[4-[3-(2-cyclohexylethoxy)phenyl]phenyl]ethyl]-4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2,3-dihydroxy-N-[(1R)-1-(3-hydroxyphenyl)ethyl]-4-oxobutanamide;(2R,3R)-4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2,3-dihydroxy-N-[(1R)-1-(3-methoxyphenyl)ethyl]-4-oxobutanamide;(2R,3R)-4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2,3-dihydroxy-N-[(1R)-1-(3-methoxy-4-pyrazol-1-ylphenyl)ethyl]-2-methyl-4-oxobutanamide;(2R,3R)-4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2,3-dihydroxy-2-methyl-4-oxo-N-[(1R)-1-(3-phenylmethoxy-4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2,3-dihydroxy-4-oxo-N-[(1R)-1-(3-phenylmethoxyphenyl)ethyl]butanamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-[(2R)-2-phenylpyrrolidin-1-yl]-N-[[4-[2-(trifluoromethyl)benzimidazol-1-yl]cyclohexyl]methyl]butanamide (PubChem CID 159318726) has the molecular formula C261H291BrF3N37O48 and a molecular weight of 4851.31 g/mol. Its IUPAC name is (2R,3R)-N-[(1R)-1-(4-bromo-3-methoxyphenyl)ethyl]-4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2,3-dihydroxy-2-methyl-4-oxobutanamide;(2R,3R)-N-[(1R)-1-[4-(2-cyanopyrrol-1-yl)phenyl]ethyl]-4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2,3-dihydroxy-2-methyl-4-oxobutanamide;(2R,3R)-N-[(1R)-1-[4-[3-(2-cyclohexylethoxy)phenyl]phenyl]ethyl]-4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2,3-dihydroxy-2-methyl-4-oxobutanamide;(2R,3R)-N-[(1R)-1-[4-[3-(2-cyclohexylethoxy)phenyl]phenyl]ethyl]-4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2,3-dihydroxy-N-[(1R)-1-(3-hydroxyphenyl)ethyl]-4-oxobutanamide;(2R,3R)-4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2,3-dihydroxy-N-[(1R)-1-(3-methoxyphenyl)ethyl]-4-oxobutanamide;(2R,3R)-4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2,3-dihydroxy-N-[(1R)-1-(3-methoxy-4-pyrazol-1-ylphenyl)ethyl]-2-methyl-4-oxobutanamide;(2R,3R)-4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2,3-dihydroxy-2-methyl-4-oxo-N-[(1R)-1-(3-phenylmethoxy-4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2,3-dihydroxy-4-oxo-N-[(1R)-1-(3-phenylmethoxyphenyl)ethyl]butanamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-[(2R)-2-phenylpyrrolidin-1-yl]-N-[[4-[2-(trifluoromethyl)benzimidazol-1-yl]cyclohexyl]methyl]butanamide.

Molecular Properties

Compound Name(2R,3R)-N-[(1R)-1-(4-bromo-3-methoxyphenyl)ethyl]-4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2,3-dihydroxy-2-methyl-4-oxobutanamide;(2R,3R)-N-[(1R)-1-[4-(2-cyanopyrrol-1-yl)phenyl]ethyl]-4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2,3-dihydroxy-2-methyl-4-oxobutanamide;(2R,3R)-N-[(1R)-1-[4-[3-(2-cyclohexylethoxy)phenyl]phenyl]ethyl]-4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2,3-dihydroxy-2-methyl-4-oxobutanamide;(2R,3R)-N-[(1R)-1-[4-[3-(2-cyclohexylethoxy)phenyl]phenyl]ethyl]-4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2,3-dihydroxy-N-[(1R)-1-(3-hydroxyphenyl)ethyl]-4-oxobutanamide;(2R,3R)-4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2,3-dihydroxy-N-[(1R)-1-(3-methoxyphenyl)ethyl]-4-oxobutanamide;(2R,3R)-4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2,3-dihydroxy-N-[(1R)-1-(3-methoxy-4-pyrazol-1-ylphenyl)ethyl]-2-methyl-4-oxobutanamide;(2R,3R)-4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2,3-dihydroxy-2-methyl-4-oxo-N-[(1R)-1-(3-phenylmethoxy-4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2,3-dihydroxy-4-oxo-N-[(1R)-1-(3-phenylmethoxyphenyl)ethyl]butanamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-[(2R)-2-phenylpyrrolidin-1-yl]-N-[[4-[2-(trifluoromethyl)benzimidazol-1-yl]cyclohexyl]methyl]butanamide
PubChem CID159318726
Molecular FormulaC261H291BrF3N37O48
Molecular Weight4851.31 g/mol
Exact Mass4847.06
IUPAC Name(2R,3R)-N-[(1R)-1-(4-bromo-3-methoxyphenyl)ethyl]-4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2,3-dihydroxy-2-methyl-4-oxobutanamide;(2R,3R)-N-[(1R)-1-[4-(2-cyanopyrrol-1-yl)phenyl]ethyl]-4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2,3-dihydroxy-2-methyl-4-oxobutanamide;(2R,3R)-N-[(1R)-1-[4-[3-(2-cyclohexylethoxy)phenyl]phenyl]ethyl]-4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2,3-dihydroxy-2-methyl-4-oxobutanamide;(2R,3R)-N-[(1R)-1-[4-[3-(2-cyclohexylethoxy)phenyl]phenyl]ethyl]-4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2,3-dihydroxy-N-[(1R)-1-(3-hydroxyphenyl)ethyl]-4-oxobutanamide;(2R,3R)-4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2,3-dihydroxy-N-[(1R)-1-(3-methoxyphenyl)ethyl]-4-oxobutanamide;(2R,3R)-4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2,3-dihydroxy-N-[(1R)-1-(3-methoxy-4-pyrazol-1-ylphenyl)ethyl]-2-methyl-4-oxobutanamide;(2R,3R)-4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2,3-dihydroxy-2-methyl-4-oxo-N-[(1R)-1-(3-phenylmethoxy-4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2,3-dihydroxy-4-oxo-N-[(1R)-1-(3-phenylmethoxyphenyl)ethyl]butanamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-[(2R)-2-phenylpyrrolidin-1-yl]-N-[[4-[2-(trifluoromethyl)benzimidazol-1-yl]cyclohexyl]methyl]butanamide
SMILESCOc1cc([C@@H](C)NC(=O)[C@](C)(O)[C@@H](O)C(=O)N2Cc3cccnc3C2)ccc1-n1cccn1.COc1cc([C@@H](C)NC(=O)[C@](C)(O)[C@@H](O)C(=O)N2Cc3cccnc3C2)ccc1Br.COc1cccc([C@@H](C)NC(=O)[C@H](O)[C@@H](O)C(=O)N2Cc3cccnc3C2)c1.C[C@@H](NC(=O)[C@H](O)[C@@H](O)C(=O)N1Cc2cccnc2C1)c1ccc(-c2cccc(OCCC3CCCCC3)c2)cc1.C[C@@H](NC(=O)[C@H](O)[C@@H](O)C(=O)N1Cc2cccnc2C1)c1cccc(O)c1.C[C@@H](NC(=O)[C@H](O)[C@@H](O)C(=O)N1Cc2cccnc2C1)c1cccc(OCc2ccccc2)c1.C[C@@H](NC(=O)[C@](C)(O)[C@@H](O)C(=O)N1Cc2cccnc2C1)c1ccc(-c2cccc(OCCC3CCCCC3)c2)cc1.C[C@@H](NC(=O)[C@](C)(O)[C@@H](O)C(=O)N1Cc2cccnc2C1)c1ccc(-n2cccc2C#N)cc1.C[C@@H](NC(=O)[C@](C)(O)[C@@H](O)C(=O)N1Cc2cccnc2C1)c1ccc(-n2cccn2)c(OCc2ccccc2)c1.O=C(NCC1CCC(n2c(C(F)(F)F)nc3ccccc32)CC1)[C@H](O)[C@@H](O)C(=O)N1CCC[C@@H]1c1ccccc1
InChIInChI=1S/C34H41N3O5.C33H39N3O5.C30H31N5O5.C29H33F3N4O4.C26H27N3O5.C25H25N5O4.C24H27N5O5.C21H24BrN3O5.C20H23N3O5.C19H21N3O5/c1-23(36-33(40)34(2,41)31(38)32(39)37-21-28-11-7-18-35-30(28)22-37)25-13-15-26(16-14-25)27-10-6-12-29(20-27)42-19-17-24-8-4-3-5-9-24;1-22(35-32(39)30(37)31(38)33(40)36-20-27-10-6-17-34-29(27)21-36)24-12-14-25(15-13-24)26-9-5-11-28(19-26)41-18-16-23-7-3-2-4-8-23;1-20(33-29(38)30(2,39)27(36)28(37)34-17-23-10-6-13-31-24(23)18-34)22-11-12-25(35-15-7-14-32-35)26(16-22)40-19-21-8-4-3-5-9-21;30-29(31,32)28-34-21-9-4-5-10-23(21)36(28)20-14-12-18(13-15-20)17-33-26(39)24(37)25(38)27(40)35-16-6-11-22(35)19-7-2-1-3-8-19;1-17(19-9-5-11-21(13-19)34-16-18-7-3-2-4-8-18)28-25(32)23(30)24(31)26(33)29-14-20-10-6-12-27-22(20)15-29;1-16(17-7-9-19(10-8-17)30-12-4-6-20(30)13-26)28-24(33)25(2,34)22(31)23(32)29-14-18-5-3-11-27-21(18)15-29;1-15(16-7-8-19(20(12-16)34-3)29-11-5-10-26-29)27-23(32)24(2,33)21(30)22(31)28-13-17-6-4-9-25-18(17)14-28;1-12(13-6-7-15(22)17(9-13)30-3)24-20(28)21(2,29)18(26)19(27)25-10-14-5-4-8-23-16(14)11-25;1-12(13-5-3-7-15(9-13)28-2)22-19(26)17(24)18(25)20(27)23-10-14-6-4-8-21-16(14)11-23;1-11(12-4-2-6-14(23)8-12)21-18(26)16(24)17(25)19(27)22-9-13-5-3-7-20-15(13)10-22/h6-7,10-16,18,20,23-24,31,38,41H,3-5,8-9,17,19,21-22H2,1-2H3,(H,36,40);5-6,9-15,17,19,22-23,30-31,37-38H,2-4,7-8,16,18,20-21H2,1H3,(H,35,39);3-16,20,27,36,39H,17-19H2,1-2H3,(H,33,38);1-5,7-10,18,20,22,24-25,37-38H,6,11-17H2,(H,33,39);2-13,17,23-24,30-31H,14-16H2,1H3,(H,28,32);3-12,16,22,31,34H,14-15H2,1-2H3,(H,28,33);4-12,15,21,30,33H,13-14H2,1-3H3,(H,27,32);4-9,12,18,26,29H,10-11H2,1-3H3,(H,24,28);3-9,12,17-18,24-25H,10-11H2,1-2H3,(H,22,26);2-8,11,16-17,23-25H,9-10H2,1H3,(H,21,26)/t23-,31+,34-;22-,30-,31-;20-,27+,30-;18?,20?,22-,24-,25-;17-,23-,24-;16-,22+,25-;15-,21+,24-;12-,18+,21-;12-,17-,18-;11-,16-,17-/m1111111111/s1
InChIKeyLDMCDFPXZLIZDT-WTOVMYSSSA-N
XLogP23.36
TPSA1181.73 Ų
H-Bond Donors31
H-Bond Acceptors65
Rotatable Bonds74
Heavy Atoms350
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004851.31
LogP ≤ 523.36
H-Bond Donors ≤ 531
H-Bond Acceptors ≤ 1065

Analyze (2R,3R)-N-[(1R)-1-(4-bromo-3-methoxyphenyl)ethyl]-4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2,3-dihydroxy-2-methyl-4-oxobutanamide;(2R,3R)-N-[(1R)-1-[4-(2-cyanopyrrol-1-yl)phenyl]ethyl]-4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2,3-dihydroxy-2-methyl-4-oxobutanamide;(2R,3R)-N-[(1R)-1-[4-[3-(2-cyclohexylethoxy)phenyl]phenyl]ethyl]-4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2,3-dihydroxy-2-methyl-4-oxobutanamide;(2R,3R)-N-[(1R)-1-[4-[3-(2-cyclohexylethoxy)phenyl]phenyl]ethyl]-4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2,3-dihydroxy-N-[(1R)-1-(3-hydroxyphenyl)ethyl]-4-oxobutanamide;(2R,3R)-4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2,3-dihydroxy-N-[(1R)-1-(3-methoxyphenyl)ethyl]-4-oxobutanamide;(2R,3R)-4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2,3-dihydroxy-N-[(1R)-1-(3-methoxy-4-pyrazol-1-ylphenyl)ethyl]-2-methyl-4-oxobutanamide;(2R,3R)-4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2,3-dihydroxy-2-methyl-4-oxo-N-[(1R)-1-(3-phenylmethoxy-4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2,3-dihydroxy-4-oxo-N-[(1R)-1-(3-phenylmethoxyphenyl)ethyl]butanamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-[(2R)-2-phenylpyrrolidin-1-yl]-N-[[4-[2-(trifluoromethyl)benzimidazol-1-yl]cyclohexyl]methyl]butanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R,3R)-N-[(1R)-1-(4-bromo-3-methoxyphenyl)ethyl]-4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2,3-dihydroxy-2-methyl-4-oxobutanamide;(2R,3R)-N-[(1R)-1-[4-(2-cyanopyrrol-1-yl)phenyl]ethyl]-4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2,3-dihydroxy-2-methyl-4-oxobutanamide;(2R,3R)-N-[(1R)-1-[4-[3-(2-cyclohexylethoxy)phenyl]phenyl]ethyl]-4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2,3-dihydroxy-2-methyl-4-oxobutanamide;(2R,3R)-N-[(1R)-1-[4-[3-(2-cyclohexylethoxy)phenyl]phenyl]ethyl]-4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2,3-dihydroxy-N-[(1R)-1-(3-hydroxyphenyl)ethyl]-4-oxobutanamide;(2R,3R)-4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2,3-dihydroxy-N-[(1R)-1-(3-methoxyphenyl)ethyl]-4-oxobutanamide;(2R,3R)-4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2,3-dihydroxy-N-[(1R)-1-(3-methoxy-4-pyrazol-1-ylphenyl)ethyl]-2-methyl-4-oxobutanamide;(2R,3R)-4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2,3-dihydroxy-2-methyl-4-oxo-N-[(1R)-1-(3-phenylmethoxy-4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2,3-dihydroxy-4-oxo-N-[(1R)-1-(3-phenylmethoxyphenyl)ethyl]butanamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-[(2R)-2-phenylpyrrolidin-1-yl]-N-[[4-[2-(trifluoromethyl)benzimidazol-1-yl]cyclohexyl]methyl]butanamide?
The IUPAC name of (2R,3R)-N-[(1R)-1-(4-bromo-3-methoxyphenyl)ethyl]-4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2,3-dihydroxy-2-methyl-4-oxobutanamide;(2R,3R)-N-[(1R)-1-[4-(2-cyanopyrrol-1-yl)phenyl]ethyl]-4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2,3-dihydroxy-2-methyl-4-oxobutanamide;(2R,3R)-N-[(1R)-1-[4-[3-(2-cyclohexylethoxy)phenyl]phenyl]ethyl]-4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2,3-dihydroxy-2-methyl-4-oxobutanamide;(2R,3R)-N-[(1R)-1-[4-[3-(2-cyclohexylethoxy)phenyl]phenyl]ethyl]-4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2,3-dihydroxy-N-[(1R)-1-(3-hydroxyphenyl)ethyl]-4-oxobutanamide;(2R,3R)-4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2,3-dihydroxy-N-[(1R)-1-(3-methoxyphenyl)ethyl]-4-oxobutanamide;(2R,3R)-4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2,3-dihydroxy-N-[(1R)-1-(3-methoxy-4-pyrazol-1-ylphenyl)ethyl]-2-methyl-4-oxobutanamide;(2R,3R)-4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2,3-dihydroxy-2-methyl-4-oxo-N-[(1R)-1-(3-phenylmethoxy-4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2,3-dihydroxy-4-oxo-N-[(1R)-1-(3-phenylmethoxyphenyl)ethyl]butanamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-[(2R)-2-phenylpyrrolidin-1-yl]-N-[[4-[2-(trifluoromethyl)benzimidazol-1-yl]cyclohexyl]methyl]butanamide (CID 159318726) is (2R,3R)-N-[(1R)-1-(4-bromo-3-methoxyphenyl)ethyl]-4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2,3-dihydroxy-2-methyl-4-oxobutanamide;(2R,3R)-N-[(1R)-1-[4-(2-cyanopyrrol-1-yl)phenyl]ethyl]-4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2,3-dihydroxy-2-methyl-4-oxobutanamide;(2R,3R)-N-[(1R)-1-[4-[3-(2-cyclohexylethoxy)phenyl]phenyl]ethyl]-4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2,3-dihydroxy-2-methyl-4-oxobutanamide;(2R,3R)-N-[(1R)-1-[4-[3-(2-cyclohexylethoxy)phenyl]phenyl]ethyl]-4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2,3-dihydroxy-N-[(1R)-1-(3-hydroxyphenyl)ethyl]-4-oxobutanamide;(2R,3R)-4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2,3-dihydroxy-N-[(1R)-1-(3-methoxyphenyl)ethyl]-4-oxobutanamide;(2R,3R)-4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2,3-dihydroxy-N-[(1R)-1-(3-methoxy-4-pyrazol-1-ylphenyl)ethyl]-2-methyl-4-oxobutanamide;(2R,3R)-4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2,3-dihydroxy-2-methyl-4-oxo-N-[(1R)-1-(3-phenylmethoxy-4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2,3-dihydroxy-4-oxo-N-[(1R)-1-(3-phenylmethoxyphenyl)ethyl]butanamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-[(2R)-2-phenylpyrrolidin-1-yl]-N-[[4-[2-(trifluoromethyl)benzimidazol-1-yl]cyclohexyl]methyl]butanamide.
What is the SMILES notation for (2R,3R)-N-[(1R)-1-(4-bromo-3-methoxyphenyl)ethyl]-4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2,3-dihydroxy-2-methyl-4-oxobutanamide;(2R,3R)-N-[(1R)-1-[4-(2-cyanopyrrol-1-yl)phenyl]ethyl]-4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2,3-dihydroxy-2-methyl-4-oxobutanamide;(2R,3R)-N-[(1R)-1-[4-[3-(2-cyclohexylethoxy)phenyl]phenyl]ethyl]-4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2,3-dihydroxy-2-methyl-4-oxobutanamide;(2R,3R)-N-[(1R)-1-[4-[3-(2-cyclohexylethoxy)phenyl]phenyl]ethyl]-4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2,3-dihydroxy-N-[(1R)-1-(3-hydroxyphenyl)ethyl]-4-oxobutanamide;(2R,3R)-4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2,3-dihydroxy-N-[(1R)-1-(3-methoxyphenyl)ethyl]-4-oxobutanamide;(2R,3R)-4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2,3-dihydroxy-N-[(1R)-1-(3-methoxy-4-pyrazol-1-ylphenyl)ethyl]-2-methyl-4-oxobutanamide;(2R,3R)-4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2,3-dihydroxy-2-methyl-4-oxo-N-[(1R)-1-(3-phenylmethoxy-4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2,3-dihydroxy-4-oxo-N-[(1R)-1-(3-phenylmethoxyphenyl)ethyl]butanamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-[(2R)-2-phenylpyrrolidin-1-yl]-N-[[4-[2-(trifluoromethyl)benzimidazol-1-yl]cyclohexyl]methyl]butanamide?
The canonical SMILES for (2R,3R)-N-[(1R)-1-(4-bromo-3-methoxyphenyl)ethyl]-4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2,3-dihydroxy-2-methyl-4-oxobutanamide;(2R,3R)-N-[(1R)-1-[4-(2-cyanopyrrol-1-yl)phenyl]ethyl]-4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2,3-dihydroxy-2-methyl-4-oxobutanamide;(2R,3R)-N-[(1R)-1-[4-[3-(2-cyclohexylethoxy)phenyl]phenyl]ethyl]-4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2,3-dihydroxy-2-methyl-4-oxobutanamide;(2R,3R)-N-[(1R)-1-[4-[3-(2-cyclohexylethoxy)phenyl]phenyl]ethyl]-4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2,3-dihydroxy-N-[(1R)-1-(3-hydroxyphenyl)ethyl]-4-oxobutanamide;(2R,3R)-4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2,3-dihydroxy-N-[(1R)-1-(3-methoxyphenyl)ethyl]-4-oxobutanamide;(2R,3R)-4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2,3-dihydroxy-N-[(1R)-1-(3-methoxy-4-pyrazol-1-ylphenyl)ethyl]-2-methyl-4-oxobutanamide;(2R,3R)-4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2,3-dihydroxy-2-methyl-4-oxo-N-[(1R)-1-(3-phenylmethoxy-4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2,3-dihydroxy-4-oxo-N-[(1R)-1-(3-phenylmethoxyphenyl)ethyl]butanamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-[(2R)-2-phenylpyrrolidin-1-yl]-N-[[4-[2-(trifluoromethyl)benzimidazol-1-yl]cyclohexyl]methyl]butanamide is COc1cc([C@@H](C)NC(=O)[C@](C)(O)[C@@H](O)C(=O)N2Cc3cccnc3C2)ccc1-n1cccn1.COc1cc([C@@H](C)NC(=O)[C@](C)(O)[C@@H](O)C(=O)N2Cc3cccnc3C2)ccc1Br.COc1cccc([C@@H](C)NC(=O)[C@H](O)[C@@H](O)C(=O)N2Cc3cccnc3C2)c1.C[C@@H](NC(=O)[C@H](O)[C@@H](O)C(=O)N1Cc2cccnc2C1)c1ccc(-c2cccc(OCCC3CCCCC3)c2)cc1.C[C@@H](NC(=O)[C@H](O)[C@@H](O)C(=O)N1Cc2cccnc2C1)c1cccc(O)c1.C[C@@H](NC(=O)[C@H](O)[C@@H](O)C(=O)N1Cc2cccnc2C1)c1cccc(OCc2ccccc2)c1.C[C@@H](NC(=O)[C@](C)(O)[C@@H](O)C(=O)N1Cc2cccnc2C1)c1ccc(-c2cccc(OCCC3CCCCC3)c2)cc1.C[C@@H](NC(=O)[C@](C)(O)[C@@H](O)C(=O)N1Cc2cccnc2C1)c1ccc(-n2cccc2C#N)cc1.C[C@@H](NC(=O)[C@](C)(O)[C@@H](O)C(=O)N1Cc2cccnc2C1)c1ccc(-n2cccn2)c(OCc2ccccc2)c1.O=C(NCC1CCC(n2c(C(F)(F)F)nc3ccccc32)CC1)[C@H](O)[C@@H](O)C(=O)N1CCC[C@@H]1c1ccccc1.
What is the InChIKey of (2R,3R)-N-[(1R)-1-(4-bromo-3-methoxyphenyl)ethyl]-4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2,3-dihydroxy-2-methyl-4-oxobutanamide;(2R,3R)-N-[(1R)-1-[4-(2-cyanopyrrol-1-yl)phenyl]ethyl]-4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2,3-dihydroxy-2-methyl-4-oxobutanamide;(2R,3R)-N-[(1R)-1-[4-[3-(2-cyclohexylethoxy)phenyl]phenyl]ethyl]-4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2,3-dihydroxy-2-methyl-4-oxobutanamide;(2R,3R)-N-[(1R)-1-[4-[3-(2-cyclohexylethoxy)phenyl]phenyl]ethyl]-4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2,3-dihydroxy-N-[(1R)-1-(3-hydroxyphenyl)ethyl]-4-oxobutanamide;(2R,3R)-4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2,3-dihydroxy-N-[(1R)-1-(3-methoxyphenyl)ethyl]-4-oxobutanamide;(2R,3R)-4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2,3-dihydroxy-N-[(1R)-1-(3-methoxy-4-pyrazol-1-ylphenyl)ethyl]-2-methyl-4-oxobutanamide;(2R,3R)-4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2,3-dihydroxy-2-methyl-4-oxo-N-[(1R)-1-(3-phenylmethoxy-4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2,3-dihydroxy-4-oxo-N-[(1R)-1-(3-phenylmethoxyphenyl)ethyl]butanamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-[(2R)-2-phenylpyrrolidin-1-yl]-N-[[4-[2-(trifluoromethyl)benzimidazol-1-yl]cyclohexyl]methyl]butanamide?
The InChIKey is LDMCDFPXZLIZDT-WTOVMYSSSA-N. The full InChI is InChI=1S/C34H41N3O5.C33H39N3O5.C30H31N5O5.C29H33F3N4O4.C26H27N3O5.C25H25N5O4.C24H27N5O5.C21H24BrN3O5.C20H23N3O5.C19H21N3O5/c1-23(36-33(40)34(2,41)31(38)32(39)37-21-28-11-7-18-35-30(28)22-37)25-13-15-26(16-14-25)27-10-6-12-29(20-27)42-19-17-24-8-4-3-5-9-24;1-22(35-32(39)30(37)31(38)33(40)36-20-27-10-6-17-34-29(27)21-36)24-12-14-25(15-13-24)26-9-5-11-28(19-26)41-18-16-23-7-3-2-4-8-23;1-20(33-29(38)30(2,39)27(36)28(37)34-17-23-10-6-13-31-24(23)18-34)22-11-12-25(35-15-7-14-32-35)26(16-22)40-19-21-8-4-3-5-9-21;30-29(31,32)28-34-21-9-4-5-10-23(21)36(28)20-14-12-18(13-15-20)17-33-26(39)24(37)25(38)27(40)35-16-6-11-22(35)19-7-2-1-3-8-19;1-17(19-9-5-11-21(13-19)34-16-18-7-3-2-4-8-18)28-25(32)23(30)24(31)26(33)29-14-20-10-6-12-27-22(20)15-29;1-16(17-7-9-19(10-8-17)30-12-4-6-20(30)13-26)28-24(33)25(2,34)22(31)23(32)29-14-18-5-3-11-27-21(18)15-29;1-15(16-7-8-19(20(12-16)34-3)29-11-5-10-26-29)27-23(32)24(2,33)21(30)22(31)28-13-17-6-4-9-25-18(17)14-28;1-12(13-6-7-15(22)17(9-13)30-3)24-20(28)21(2,29)18(26)19(27)25-10-14-5-4-8-23-16(14)11-25;1-12(13-5-3-7-15(9-13)28-2)22-19(26)17(24)18(25)20(27)23-10-14-6-4-8-21-16(14)11-23;1-11(12-4-2-6-14(23)8-12)21-18(26)16(24)17(25)19(27)22-9-13-5-3-7-20-15(13)10-22/h6-7,10-16,18,20,23-24,31,38,41H,3-5,8-9,17,19,21-22H2,1-2H3,(H,36,40);5-6,9-15,17,19,22-23,30-31,37-38H,2-4,7-8,16,18,20-21H2,1H3,(H,35,39);3-16,20,27,36,39H,17-19H2,1-2H3,(H,33,38);1-5,7-10,18,20,22,24-25,37-38H,6,11-17H2,(H,33,39);2-13,17,23-24,30-31H,14-16H2,1H3,(H,28,32);3-12,16,22,31,34H,14-15H2,1-2H3,(H,28,33);4-12,15,21,30,33H,13-14H2,1-3H3,(H,27,32);4-9,12,18,26,29H,10-11H2,1-3H3,(H,24,28);3-9,12,17-18,24-25H,10-11H2,1-2H3,(H,22,26);2-8,11,16-17,23-25H,9-10H2,1H3,(H,21,26)/t23-,31+,34-;22-,30-,31-;20-,27+,30-;18?,20?,22-,24-,25-;17-,23-,24-;16-,22+,25-;15-,21+,24-;12-,18+,21-;12-,17-,18-;11-,16-,17-/m1111111111/s1.
What are the key properties of (2R,3R)-N-[(1R)-1-(4-bromo-3-methoxyphenyl)ethyl]-4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2,3-dihydroxy-2-methyl-4-oxobutanamide;(2R,3R)-N-[(1R)-1-[4-(2-cyanopyrrol-1-yl)phenyl]ethyl]-4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2,3-dihydroxy-2-methyl-4-oxobutanamide;(2R,3R)-N-[(1R)-1-[4-[3-(2-cyclohexylethoxy)phenyl]phenyl]ethyl]-4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2,3-dihydroxy-2-methyl-4-oxobutanamide;(2R,3R)-N-[(1R)-1-[4-[3-(2-cyclohexylethoxy)phenyl]phenyl]ethyl]-4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2,3-dihydroxy-N-[(1R)-1-(3-hydroxyphenyl)ethyl]-4-oxobutanamide;(2R,3R)-4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2,3-dihydroxy-N-[(1R)-1-(3-methoxyphenyl)ethyl]-4-oxobutanamide;(2R,3R)-4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2,3-dihydroxy-N-[(1R)-1-(3-methoxy-4-pyrazol-1-ylphenyl)ethyl]-2-methyl-4-oxobutanamide;(2R,3R)-4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2,3-dihydroxy-2-methyl-4-oxo-N-[(1R)-1-(3-phenylmethoxy-4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2,3-dihydroxy-4-oxo-N-[(1R)-1-(3-phenylmethoxyphenyl)ethyl]butanamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-[(2R)-2-phenylpyrrolidin-1-yl]-N-[[4-[2-(trifluoromethyl)benzimidazol-1-yl]cyclohexyl]methyl]butanamide?
(2R,3R)-N-[(1R)-1-(4-bromo-3-methoxyphenyl)ethyl]-4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2,3-dihydroxy-2-methyl-4-oxobutanamide;(2R,3R)-N-[(1R)-1-[4-(2-cyanopyrrol-1-yl)phenyl]ethyl]-4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2,3-dihydroxy-2-methyl-4-oxobutanamide;(2R,3R)-N-[(1R)-1-[4-[3-(2-cyclohexylethoxy)phenyl]phenyl]ethyl]-4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2,3-dihydroxy-2-methyl-4-oxobutanamide;(2R,3R)-N-[(1R)-1-[4-[3-(2-cyclohexylethoxy)phenyl]phenyl]ethyl]-4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2,3-dihydroxy-N-[(1R)-1-(3-hydroxyphenyl)ethyl]-4-oxobutanamide;(2R,3R)-4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2,3-dihydroxy-N-[(1R)-1-(3-methoxyphenyl)ethyl]-4-oxobutanamide;(2R,3R)-4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2,3-dihydroxy-N-[(1R)-1-(3-methoxy-4-pyrazol-1-ylphenyl)ethyl]-2-methyl-4-oxobutanamide;(2R,3R)-4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2,3-dihydroxy-2-methyl-4-oxo-N-[(1R)-1-(3-phenylmethoxy-4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2,3-dihydroxy-4-oxo-N-[(1R)-1-(3-phenylmethoxyphenyl)ethyl]butanamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-[(2R)-2-phenylpyrrolidin-1-yl]-N-[[4-[2-(trifluoromethyl)benzimidazol-1-yl]cyclohexyl]methyl]butanamide has a molecular weight of 4851.31 g/mol, XLogP of 23.36, 74 rotatable bonds, 31 hydrogen bond donors, and 65 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-N-[(1R)-1-(4-bromo-3-methoxyphenyl)ethyl]-4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2,3-dihydroxy-2-methyl-4-oxobutanamide;(2R,3R)-N-[(1R)-1-[4-(2-cyanopyrrol-1-yl)phenyl]ethyl]-4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2,3-dihydroxy-2-methyl-4-oxobutanamide;(2R,3R)-N-[(1R)-1-[4-[3-(2-cyclohexylethoxy)phenyl]phenyl]ethyl]-4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2,3-dihydroxy-2-methyl-4-oxobutanamide;(2R,3R)-N-[(1R)-1-[4-[3-(2-cyclohexylethoxy)phenyl]phenyl]ethyl]-4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2,3-dihydroxy-N-[(1R)-1-(3-hydroxyphenyl)ethyl]-4-oxobutanamide;(2R,3R)-4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2,3-dihydroxy-N-[(1R)-1-(3-methoxyphenyl)ethyl]-4-oxobutanamide;(2R,3R)-4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2,3-dihydroxy-N-[(1R)-1-(3-methoxy-4-pyrazol-1-ylphenyl)ethyl]-2-methyl-4-oxobutanamide;(2R,3R)-4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2,3-dihydroxy-2-methyl-4-oxo-N-[(1R)-1-(3-phenylmethoxy-4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2,3-dihydroxy-4-oxo-N-[(1R)-1-(3-phenylmethoxyphenyl)ethyl]butanamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-[(2R)-2-phenylpyrrolidin-1-yl]-N-[[4-[2-(trifluoromethyl)benzimidazol-1-yl]cyclohexyl]methyl]butanamide is sourced from PubChem (CID 159318726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).