1-[(2S,4R)-2-[5-[4-[4-[2-[(2S,4R)-1-[2-(4,4-difluoropiperidin-1-yl)-2-oxoacetyl]-4-hydroxypyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-4-hydroxypyrrolidin-1-yl]-2-(4-fluoro-4-methylpiperidin-1-yl)ethane-1,2-dione;1-[(2S,4S)-2-[5-[4-[4-[2-[(2S,4S)-1-[2-(4,4-difluoropiperidin-1-yl)-2-oxoacetyl]-4-methylpyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-4-methylpyrrolidin-1-yl]-2-(4-fluoro-4-methylpiperidin-1-yl)ethane-1,2-dione;N-[(1S)-1-[5-[4-[4-[2-[(1S)-2,2-dimethyl-1-[[2-methyl-2-(propanoylamino)propanoyl]amino]propyl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-2,2-dimethylpropyl]-2-methyl-2-(propanoylamino)propanamide;2-ethyl-N-[(1S)-1-[5-[4-[4-[2-[(1S)-1-[[2-(hydroxymethyl)cyclohexanecarbonyl]amino]-2,2-dimethylpropyl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-2,2-dimethylpropyl]cyclohexane-1-carboxamide

C171H214F6N30O17 — CID 159815488

IUPAC1-[(2S,4R)-2-[5-[4-[4-[2-[(2S,4R)-1-[2-(4,4-difluoropiperidin-1-yl)-2-oxoacetyl]-4-hydroxypyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-4-hydroxypyrrolidin-1-yl]-2-(4-fluoro-4-methylpiperidin-1-yl)ethane-1,2-dione;1-[(2S,4S)-2-[5-[4-[4-[2-[(2S,4S)-1-[2-(4,4-difluoropiperidin-1-yl)-2-oxoacetyl]-4-methylpyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-4-methylpyrrolidin-1-yl]-2-(4-fluoro-4-methylpiperidin-1-yl)ethane-1,2-dione;N-[(1S)-1-[5-[4-[4-[2-[(1S)-2,2-dimethyl-1-[[2-methyl-2-(propanoylamino)propanoyl]amino]propyl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-2,2-dimethylpropyl]-2-methyl-2-(propanoylamino)propanamide;2-ethyl-N-[(1S)-1-[5-[4-[4-[2-[(1S)-1-[[2-(hydroxymethyl)cyclohexanecarbonyl]amino]-2,2-dimethylpropyl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-2,2-dimethylpropyl]cyclohexane-1-carboxamide
SMILESCC1(F)CCN(C(=O)C(=O)N2C[C@H](O)C[C@H]2c2ncc(-c3ccc(-c4ccc(-c5cnc([C@@H]6C[C@@H](O)CN6C(=O)C(=O)N6CCC(F)(F)CC6)[nH]5)cc4)cc3)[nH]2)CC1.CCC(=O)NC(C)(C)C(=O)N[C@H](c1ncc(-c2ccc(-c3ccc(-c4cnc([C@@H](NC(=O)C(C)(C)NC(=O)CC)C(C)(C)C)[nH]4)cc3)cc2)[nH]1)C(C)(C)C.CCC1CCCCC1C(=O)N[C@H](c1ncc(-c2ccc(-c3ccc(-c4cnc([C@@H](NC(=O)C5CCCCC5CO)C(C)(C)C)[nH]4)cc3)cc2)[nH]1)C(C)(C)C.C[C@H]1C[C@@H](c2ncc(-c3ccc(-c4ccc(-c5cnc([C@@H]6C[C@H](C)CN6C(=O)C(=O)N6CCC(F)(F)CC6)[nH]5)cc4)cc3)[nH]2)N(C(=O)C(=O)N2CCC(C)(F)CC2)C1
InChIInChI=1S/C45H62N6O3.C43H49F3N8O4.C42H58N8O4.C41H45F3N8O6/c1-8-28-13-9-11-15-34(28)42(53)50-38(44(2,3)4)40-46-25-36(48-40)31-21-17-29(18-22-31)30-19-23-32(24-20-30)37-26-47-41(49-37)39(45(5,6)7)51-43(54)35-16-12-10-14-33(35)27-52;1-26-20-34(53(24-26)40(57)38(55)51-16-12-42(3,44)13-17-51)36-47-22-32(49-36)30-8-4-28(5-9-30)29-6-10-31(11-7-29)33-23-48-37(50-33)35-21-27(2)25-54(35)41(58)39(56)52-18-14-43(45,46)15-19-52;1-13-31(51)49-41(9,10)37(53)47-33(39(3,4)5)35-43-23-29(45-35)27-19-15-25(16-20-27)26-17-21-28(22-18-26)30-24-44-36(46-30)34(40(6,7)8)48-38(54)42(11,12)50-32(52)14-2;1-40(42)10-14-49(15-11-40)36(55)38(57)51-22-28(53)18-32(51)34-45-20-30(47-34)26-6-2-24(3-7-26)25-4-8-27(9-5-25)31-21-46-35(48-31)33-19-29(54)23-52(33)39(58)37(56)50-16-12-41(43,44)13-17-50/h17-26,28,33-35,38-39,52H,8-16,27H2,1-7H3,(H,46,48)(H,47,49)(H,50,53)(H,51,54);4-11,22-23,26-27,34-35H,12-21,24-25H2,1-3H3,(H,47,49)(H,48,50);15-24,33-34H,13-14H2,1-12H3,(H,43,45)(H,44,46)(H,47,53)(H,48,54)(H,49,51)(H,50,52);2-9,20-21,28-29,32-33,53-54H,10-19,22-23H2,1H3,(H,45,47)(H,46,48)/t28?,33?,34?,35?,38-,39-;26-,27-,34-,35-;33-,34-;28-,29-,32+,33+/m1011/s1
InChIKeyNLOGRHMLEMJREN-NDEANSFKSA-N
MW3075.77 g/mol
LogP27.28
Rot. Bonds34

About 1-[(2S,4R)-2-[5-[4-[4-[2-[(2S,4R)-1-[2-(4,4-difluoropiperidin-1-yl)-2-oxoacetyl]-4-hydroxypyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-4-hydroxypyrrolidin-1-yl]-2-(4-fluoro-4-methylpiperidin-1-yl)ethane-1,2-dione;1-[(2S,4S)-2-[5-[4-[4-[2-[(2S,4S)-1-[2-(4,4-difluoropiperidin-1-yl)-2-oxoacetyl]-4-methylpyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-4-methylpyrrolidin-1-yl]-2-(4-fluoro-4-methylpiperidin-1-yl)ethane-1,2-dione;N-[(1S)-1-[5-[4-[4-[2-[(1S)-2,2-dimethyl-1-[[2-methyl-2-(propanoylamino)propanoyl]amino]propyl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-2,2-dimethylpropyl]-2-methyl-2-(propanoylamino)propanamide;2-ethyl-N-[(1S)-1-[5-[4-[4-[2-[(1S)-1-[[2-(hydroxymethyl)cyclohexanecarbonyl]amino]-2,2-dimethylpropyl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-2,2-dimethylpropyl]cyclohexane-1-carboxamide

1-[(2S,4R)-2-[5-[4-[4-[2-[(2S,4R)-1-[2-(4,4-difluoropiperidin-1-yl)-2-oxoacetyl]-4-hydroxypyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-4-hydroxypyrrolidin-1-yl]-2-(4-fluoro-4-methylpiperidin-1-yl)ethane-1,2-dione;1-[(2S,4S)-2-[5-[4-[4-[2-[(2S,4S)-1-[2-(4,4-difluoropiperidin-1-yl)-2-oxoacetyl]-4-methylpyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-4-methylpyrrolidin-1-yl]-2-(4-fluoro-4-methylpiperidin-1-yl)ethane-1,2-dione;N-[(1S)-1-[5-[4-[4-[2-[(1S)-2,2-dimethyl-1-[[2-methyl-2-(propanoylamino)propanoyl]amino]propyl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-2,2-dimethylpropyl]-2-methyl-2-(propanoylamino)propanamide;2-ethyl-N-[(1S)-1-[5-[4-[4-[2-[(1S)-1-[[2-(hydroxymethyl)cyclohexanecarbonyl]amino]-2,2-dimethylpropyl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-2,2-dimethylpropyl]cyclohexane-1-carboxamide (PubChem CID 159815488) has the molecular formula C171H214F6N30O17 and a molecular weight of 3075.77 g/mol. Its IUPAC name is 1-[(2S,4R)-2-[5-[4-[4-[2-[(2S,4R)-1-[2-(4,4-difluoropiperidin-1-yl)-2-oxoacetyl]-4-hydroxypyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-4-hydroxypyrrolidin-1-yl]-2-(4-fluoro-4-methylpiperidin-1-yl)ethane-1,2-dione;1-[(2S,4S)-2-[5-[4-[4-[2-[(2S,4S)-1-[2-(4,4-difluoropiperidin-1-yl)-2-oxoacetyl]-4-methylpyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-4-methylpyrrolidin-1-yl]-2-(4-fluoro-4-methylpiperidin-1-yl)ethane-1,2-dione;N-[(1S)-1-[5-[4-[4-[2-[(1S)-2,2-dimethyl-1-[[2-methyl-2-(propanoylamino)propanoyl]amino]propyl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-2,2-dimethylpropyl]-2-methyl-2-(propanoylamino)propanamide;2-ethyl-N-[(1S)-1-[5-[4-[4-[2-[(1S)-1-[[2-(hydroxymethyl)cyclohexanecarbonyl]amino]-2,2-dimethylpropyl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-2,2-dimethylpropyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-[(2S,4R)-2-[5-[4-[4-[2-[(2S,4R)-1-[2-(4,4-difluoropiperidin-1-yl)-2-oxoacetyl]-4-hydroxypyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-4-hydroxypyrrolidin-1-yl]-2-(4-fluoro-4-methylpiperidin-1-yl)ethane-1,2-dione;1-[(2S,4S)-2-[5-[4-[4-[2-[(2S,4S)-1-[2-(4,4-difluoropiperidin-1-yl)-2-oxoacetyl]-4-methylpyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-4-methylpyrrolidin-1-yl]-2-(4-fluoro-4-methylpiperidin-1-yl)ethane-1,2-dione;N-[(1S)-1-[5-[4-[4-[2-[(1S)-2,2-dimethyl-1-[[2-methyl-2-(propanoylamino)propanoyl]amino]propyl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-2,2-dimethylpropyl]-2-methyl-2-(propanoylamino)propanamide;2-ethyl-N-[(1S)-1-[5-[4-[4-[2-[(1S)-1-[[2-(hydroxymethyl)cyclohexanecarbonyl]amino]-2,2-dimethylpropyl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-2,2-dimethylpropyl]cyclohexane-1-carboxamide
PubChem CID159815488
Molecular FormulaC171H214F6N30O17
Molecular Weight3075.77 g/mol
Exact Mass3073.67
IUPAC Name1-[(2S,4R)-2-[5-[4-[4-[2-[(2S,4R)-1-[2-(4,4-difluoropiperidin-1-yl)-2-oxoacetyl]-4-hydroxypyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-4-hydroxypyrrolidin-1-yl]-2-(4-fluoro-4-methylpiperidin-1-yl)ethane-1,2-dione;1-[(2S,4S)-2-[5-[4-[4-[2-[(2S,4S)-1-[2-(4,4-difluoropiperidin-1-yl)-2-oxoacetyl]-4-methylpyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-4-methylpyrrolidin-1-yl]-2-(4-fluoro-4-methylpiperidin-1-yl)ethane-1,2-dione;N-[(1S)-1-[5-[4-[4-[2-[(1S)-2,2-dimethyl-1-[[2-methyl-2-(propanoylamino)propanoyl]amino]propyl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-2,2-dimethylpropyl]-2-methyl-2-(propanoylamino)propanamide;2-ethyl-N-[(1S)-1-[5-[4-[4-[2-[(1S)-1-[[2-(hydroxymethyl)cyclohexanecarbonyl]amino]-2,2-dimethylpropyl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-2,2-dimethylpropyl]cyclohexane-1-carboxamide
SMILESCC1(F)CCN(C(=O)C(=O)N2C[C@H](O)C[C@H]2c2ncc(-c3ccc(-c4ccc(-c5cnc([C@@H]6C[C@@H](O)CN6C(=O)C(=O)N6CCC(F)(F)CC6)[nH]5)cc4)cc3)[nH]2)CC1.CCC(=O)NC(C)(C)C(=O)N[C@H](c1ncc(-c2ccc(-c3ccc(-c4cnc([C@@H](NC(=O)C(C)(C)NC(=O)CC)C(C)(C)C)[nH]4)cc3)cc2)[nH]1)C(C)(C)C.CCC1CCCCC1C(=O)N[C@H](c1ncc(-c2ccc(-c3ccc(-c4cnc([C@@H](NC(=O)C5CCCCC5CO)C(C)(C)C)[nH]4)cc3)cc2)[nH]1)C(C)(C)C.C[C@H]1C[C@@H](c2ncc(-c3ccc(-c4ccc(-c5cnc([C@@H]6C[C@H](C)CN6C(=O)C(=O)N6CCC(F)(F)CC6)[nH]5)cc4)cc3)[nH]2)N(C(=O)C(=O)N2CCC(C)(F)CC2)C1
InChIInChI=1S/C45H62N6O3.C43H49F3N8O4.C42H58N8O4.C41H45F3N8O6/c1-8-28-13-9-11-15-34(28)42(53)50-38(44(2,3)4)40-46-25-36(48-40)31-21-17-29(18-22-31)30-19-23-32(24-20-30)37-26-47-41(49-37)39(45(5,6)7)51-43(54)35-16-12-10-14-33(35)27-52;1-26-20-34(53(24-26)40(57)38(55)51-16-12-42(3,44)13-17-51)36-47-22-32(49-36)30-8-4-28(5-9-30)29-6-10-31(11-7-29)33-23-48-37(50-33)35-21-27(2)25-54(35)41(58)39(56)52-18-14-43(45,46)15-19-52;1-13-31(51)49-41(9,10)37(53)47-33(39(3,4)5)35-43-23-29(45-35)27-19-15-25(16-20-27)26-17-21-28(22-18-26)30-24-44-36(46-30)34(40(6,7)8)48-38(54)42(11,12)50-32(52)14-2;1-40(42)10-14-49(15-11-40)36(55)38(57)51-22-28(53)18-32(51)34-45-20-30(47-34)26-6-2-24(3-7-26)25-4-8-27(9-5-25)31-21-46-35(48-31)33-19-29(54)23-52(33)39(58)37(56)50-16-12-41(43,44)13-17-50/h17-26,28,33-35,38-39,52H,8-16,27H2,1-7H3,(H,46,48)(H,47,49)(H,50,53)(H,51,54);4-11,22-23,26-27,34-35H,12-21,24-25H2,1-3H3,(H,47,49)(H,48,50);15-24,33-34H,13-14H2,1-12H3,(H,43,45)(H,44,46)(H,47,53)(H,48,54)(H,49,51)(H,50,52);2-9,20-21,28-29,32-33,53-54H,10-19,22-23H2,1H3,(H,45,47)(H,46,48)/t28?,33?,34?,35?,38-,39-;26-,27-,34-,35-;33-,34-;28-,29-,32+,33+/m1011/s1
InChIKeyNLOGRHMLEMJREN-NDEANSFKSA-N
XLogP27.28
TPSA627.21 Ų
H-Bond Donors17
H-Bond Acceptors25
Rotatable Bonds34
Heavy Atoms224
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003075.77
LogP ≤ 527.28
H-Bond Donors ≤ 517
H-Bond Acceptors ≤ 1025

Analyze 1-[(2S,4R)-2-[5-[4-[4-[2-[(2S,4R)-1-[2-(4,4-difluoropiperidin-1-yl)-2-oxoacetyl]-4-hydroxypyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-4-hydroxypyrrolidin-1-yl]-2-(4-fluoro-4-methylpiperidin-1-yl)ethane-1,2-dione;1-[(2S,4S)-2-[5-[4-[4-[2-[(2S,4S)-1-[2-(4,4-difluoropiperidin-1-yl)-2-oxoacetyl]-4-methylpyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-4-methylpyrrolidin-1-yl]-2-(4-fluoro-4-methylpiperidin-1-yl)ethane-1,2-dione;N-[(1S)-1-[5-[4-[4-[2-[(1S)-2,2-dimethyl-1-[[2-methyl-2-(propanoylamino)propanoyl]amino]propyl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-2,2-dimethylpropyl]-2-methyl-2-(propanoylamino)propanamide;2-ethyl-N-[(1S)-1-[5-[4-[4-[2-[(1S)-1-[[2-(hydroxymethyl)cyclohexanecarbonyl]amino]-2,2-dimethylpropyl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-2,2-dimethylpropyl]cyclohexane-1-carboxamide with MolForge

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Related Compounds

1-(4,4-difluoropiperidin-1-yl)-2-[(2S,4R)-2-[5-[4-[4-[2-[(2S,4R)-1-[2-(4,4-difluoropiperidin-1-yl)-2-oxoacetyl]-4-hydroxypyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-4-hydroxypyrrolidin-1-yl]ethane-1,2-dione
CID 117815641
1-[(2S,4R)-2-[5-[4-[4-[2-[(2S,4R)-1-[2-(4,4-difluoropiperidin-1-yl)-2-oxoacetyl]-4-hydroxypyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-4-hydroxypyrrolidin-1-yl]-2-(4-fluoro-4-methylpiperidin-1-yl)ethane-1,2-dione
CID 117828015
methyl N-[(2S,3R)-3-hydroxy-1-oxo-1-[(1R,3S,4S)-3-[5-[9,9,10,10-tetrafluoro-7-[2-[(1R,3S,4S)-2-[(2S,3R)-3-hydroxy-2-(methoxycarbonylamino)butanoyl]-2-azabicyclo[2.2.1]heptan-3-yl]-1H-imidazol-5-yl]phenanthren-2-yl]-1H-imidazol-2-yl]-2-azabicyclo[2.2.1]heptan-2-yl]butan-2-yl]carbamate
CID 118220377
1-(4,4-difluoropiperidin-1-yl)-2-[2-[5-[4-[4-[2-[1-[2-(4,4-difluoropiperidin-1-yl)-2-oxoacetyl]-4-hydroxypyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-4-hydroxypyrrolidin-1-yl]ethane-1,2-dione
CID 123216174
methyl N-[1-[(1S,5R)-6,6-difluoro-3-bicyclo[3.1.0]hexanyl]-2-[(1R,3S,5R)-3-[5-[4-[4-[2-[(1R,3S,5R)-2-[2-[(1R,5S)-6,6-difluoro-3-hydroxy-3-bicyclo[3.1.0]hexanyl]-2-(methoxycarbonylamino)acetyl]-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]carbamate
CID 124190995
(2R)-2-(diethylamino)-1-[(2S,4R)-2-[5-[4-[4-[2-[(2S,4R)-1-[2-(diethylamino)-2-phenylacetyl]-4-fluoropyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-4-hydroxypyrrolidin-1-yl]-2-phenylethanone
CID 132111149
1-(4,4-difluoropiperidin-1-yl)-2-[(2S,4R)-2-[5-[4-[4-[2-[(2S,4R)-1-[2-(4,4-difluoropiperidin-1-yl)-1-hydroxy-2-oxoethyl]-4-hydroxypyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-4-hydroxypyrrolidin-1-yl]ethane-1,2-dione
CID 134570647
(4,4-difluorocyclohexyl)-[(3S)-2-[5-[4-[4-[2-[(2S,3S)-1-[(4,4-difluorocyclohexyl)-hydroxymethyl]-3-methylpyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-3-methylpyrrolidin-1-yl]methanone
CID 134570881
1-(4,4-difluoropiperidin-1-yl)-2-[(2S,4R)-2-[5-[4-[4-[2-[(2S)-1-[2-(4,4-difluoropiperidin-1-yl)-2-oxoacetyl]-4-oxopyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-4-hydroxypyrrolidin-1-yl]ethane-1,2-dione
CID 144773401
tert-butyl (2S)-2-[4-[4-[6-(2-cyclopentyl-1H-imidazol-5-yl)naphthalen-2-yl]phenyl]-3H-pyrrol-2-yl]-4,4-difluoropyrrolidine-1-carboxylate;(2R)-2-(methoxycarbonylamino)-2-phenylacetic acid;(2S)-3-methoxy-2-(methoxycarbonylamino)butanoic acid;methyl N-[(2S,3R)-1-[(2S)-2-[4-[4-[6-(2-cyclopentyl-1H-imidazol-5-yl)naphthalen-2-yl]phenyl]-3H-pyrrol-2-yl]-4,4-difluoropyrrolidin-1-yl]-3-methoxy-1-oxobutan-2-yl]carbamate;methyl N-[(2S,3R)-1-[(2S)-4,4-difluoro-2-[4-[4-[6-[2-[(2S)-1-[(2R)-2-(methoxycarbonylamino)-2-phenylacetyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]naphthalen-2-yl]phenyl]-3H-pyrrol-2-yl]pyrrolidin-1-yl]-3-methoxy-1-oxobutan-2-yl]carbamate
CID 157096122
tert-butyl (2S)-2-[4-[4-[6-(2-cyclopentyl-1H-imidazol-5-yl)naphthalen-2-yl]phenyl]-3H-pyrrol-2-yl]-4,4-difluoropyrrolidine-1-carboxylate;(2R)-2-(methoxycarbonylamino)-2-phenylacetic acid;(2S,3R)-3-methoxy-2-(methoxycarbonylamino)butanoic acid;methyl N-[(2S,3R)-1-[(2S)-2-[4-[4-[6-(2-cyclopentyl-1H-imidazol-5-yl)naphthalen-2-yl]phenyl]-3H-pyrrol-2-yl]-4,4-difluoropyrrolidin-1-yl]-3-methoxy-1-oxobutan-2-yl]carbamate;methyl N-[(2S,3R)-1-[(2S)-4,4-difluoro-2-[4-[4-[6-[2-[(2S)-1-[(2R)-2-(methoxycarbonylamino)-2-phenylacetyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]naphthalen-2-yl]phenyl]-3H-pyrrol-2-yl]pyrrolidin-1-yl]-3-methoxy-1-oxobutan-2-yl]carbamate
CID 157096126
[2-[5-[4-[4-[2-[1-(4,4-difluorocyclohexanecarbonyl)-3,3-dimethylpyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-3,3-dimethylpyrrolidin-1-yl]-(4,4-difluorocyclohexyl)methanone;1-[2-[5-[4-[4-[2-[1-[2-(4,4-difluoropiperidin-1-yl)-2-oxoacetyl]-3,3-dimethylpyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-3,3-dimethylpyrrolidin-1-yl]-2-(4-fluoro-4-methylpiperidin-1-yl)ethane-1,2-dione;bis(N-[(1S)-2,2-dimethyl-1-[5-(4-methylphenyl)-1H-imidazol-2-yl]propyl]-2-(2-fluoroethoxy)-2-methyl-3-phenylmethoxypropanamide);2-(2-fluoroethoxy)-N-[(1S)-1-[5-[4-[4-[2-[(1S)-1-[[3-(2-fluoroethoxy)-4-hydroxy-3-methylbut-1-en-2-yl]amino]-2,2-dimethylpropyl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-2,2-dimethylpropyl]-3-hydroxy-2-methylpropanamide
CID 157125871

Frequently Asked Questions

What is the IUPAC name of 1-[(2S,4R)-2-[5-[4-[4-[2-[(2S,4R)-1-[2-(4,4-difluoropiperidin-1-yl)-2-oxoacetyl]-4-hydroxypyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-4-hydroxypyrrolidin-1-yl]-2-(4-fluoro-4-methylpiperidin-1-yl)ethane-1,2-dione;1-[(2S,4S)-2-[5-[4-[4-[2-[(2S,4S)-1-[2-(4,4-difluoropiperidin-1-yl)-2-oxoacetyl]-4-methylpyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-4-methylpyrrolidin-1-yl]-2-(4-fluoro-4-methylpiperidin-1-yl)ethane-1,2-dione;N-[(1S)-1-[5-[4-[4-[2-[(1S)-2,2-dimethyl-1-[[2-methyl-2-(propanoylamino)propanoyl]amino]propyl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-2,2-dimethylpropyl]-2-methyl-2-(propanoylamino)propanamide;2-ethyl-N-[(1S)-1-[5-[4-[4-[2-[(1S)-1-[[2-(hydroxymethyl)cyclohexanecarbonyl]amino]-2,2-dimethylpropyl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-2,2-dimethylpropyl]cyclohexane-1-carboxamide?
The IUPAC name of 1-[(2S,4R)-2-[5-[4-[4-[2-[(2S,4R)-1-[2-(4,4-difluoropiperidin-1-yl)-2-oxoacetyl]-4-hydroxypyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-4-hydroxypyrrolidin-1-yl]-2-(4-fluoro-4-methylpiperidin-1-yl)ethane-1,2-dione;1-[(2S,4S)-2-[5-[4-[4-[2-[(2S,4S)-1-[2-(4,4-difluoropiperidin-1-yl)-2-oxoacetyl]-4-methylpyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-4-methylpyrrolidin-1-yl]-2-(4-fluoro-4-methylpiperidin-1-yl)ethane-1,2-dione;N-[(1S)-1-[5-[4-[4-[2-[(1S)-2,2-dimethyl-1-[[2-methyl-2-(propanoylamino)propanoyl]amino]propyl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-2,2-dimethylpropyl]-2-methyl-2-(propanoylamino)propanamide;2-ethyl-N-[(1S)-1-[5-[4-[4-[2-[(1S)-1-[[2-(hydroxymethyl)cyclohexanecarbonyl]amino]-2,2-dimethylpropyl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-2,2-dimethylpropyl]cyclohexane-1-carboxamide (CID 159815488) is 1-[(2S,4R)-2-[5-[4-[4-[2-[(2S,4R)-1-[2-(4,4-difluoropiperidin-1-yl)-2-oxoacetyl]-4-hydroxypyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-4-hydroxypyrrolidin-1-yl]-2-(4-fluoro-4-methylpiperidin-1-yl)ethane-1,2-dione;1-[(2S,4S)-2-[5-[4-[4-[2-[(2S,4S)-1-[2-(4,4-difluoropiperidin-1-yl)-2-oxoacetyl]-4-methylpyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-4-methylpyrrolidin-1-yl]-2-(4-fluoro-4-methylpiperidin-1-yl)ethane-1,2-dione;N-[(1S)-1-[5-[4-[4-[2-[(1S)-2,2-dimethyl-1-[[2-methyl-2-(propanoylamino)propanoyl]amino]propyl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-2,2-dimethylpropyl]-2-methyl-2-(propanoylamino)propanamide;2-ethyl-N-[(1S)-1-[5-[4-[4-[2-[(1S)-1-[[2-(hydroxymethyl)cyclohexanecarbonyl]amino]-2,2-dimethylpropyl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-2,2-dimethylpropyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 1-[(2S,4R)-2-[5-[4-[4-[2-[(2S,4R)-1-[2-(4,4-difluoropiperidin-1-yl)-2-oxoacetyl]-4-hydroxypyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-4-hydroxypyrrolidin-1-yl]-2-(4-fluoro-4-methylpiperidin-1-yl)ethane-1,2-dione;1-[(2S,4S)-2-[5-[4-[4-[2-[(2S,4S)-1-[2-(4,4-difluoropiperidin-1-yl)-2-oxoacetyl]-4-methylpyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-4-methylpyrrolidin-1-yl]-2-(4-fluoro-4-methylpiperidin-1-yl)ethane-1,2-dione;N-[(1S)-1-[5-[4-[4-[2-[(1S)-2,2-dimethyl-1-[[2-methyl-2-(propanoylamino)propanoyl]amino]propyl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-2,2-dimethylpropyl]-2-methyl-2-(propanoylamino)propanamide;2-ethyl-N-[(1S)-1-[5-[4-[4-[2-[(1S)-1-[[2-(hydroxymethyl)cyclohexanecarbonyl]amino]-2,2-dimethylpropyl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-2,2-dimethylpropyl]cyclohexane-1-carboxamide?
The canonical SMILES for 1-[(2S,4R)-2-[5-[4-[4-[2-[(2S,4R)-1-[2-(4,4-difluoropiperidin-1-yl)-2-oxoacetyl]-4-hydroxypyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-4-hydroxypyrrolidin-1-yl]-2-(4-fluoro-4-methylpiperidin-1-yl)ethane-1,2-dione;1-[(2S,4S)-2-[5-[4-[4-[2-[(2S,4S)-1-[2-(4,4-difluoropiperidin-1-yl)-2-oxoacetyl]-4-methylpyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-4-methylpyrrolidin-1-yl]-2-(4-fluoro-4-methylpiperidin-1-yl)ethane-1,2-dione;N-[(1S)-1-[5-[4-[4-[2-[(1S)-2,2-dimethyl-1-[[2-methyl-2-(propanoylamino)propanoyl]amino]propyl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-2,2-dimethylpropyl]-2-methyl-2-(propanoylamino)propanamide;2-ethyl-N-[(1S)-1-[5-[4-[4-[2-[(1S)-1-[[2-(hydroxymethyl)cyclohexanecarbonyl]amino]-2,2-dimethylpropyl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-2,2-dimethylpropyl]cyclohexane-1-carboxamide is CC1(F)CCN(C(=O)C(=O)N2C[C@H](O)C[C@H]2c2ncc(-c3ccc(-c4ccc(-c5cnc([C@@H]6C[C@@H](O)CN6C(=O)C(=O)N6CCC(F)(F)CC6)[nH]5)cc4)cc3)[nH]2)CC1.CCC(=O)NC(C)(C)C(=O)N[C@H](c1ncc(-c2ccc(-c3ccc(-c4cnc([C@@H](NC(=O)C(C)(C)NC(=O)CC)C(C)(C)C)[nH]4)cc3)cc2)[nH]1)C(C)(C)C.CCC1CCCCC1C(=O)N[C@H](c1ncc(-c2ccc(-c3ccc(-c4cnc([C@@H](NC(=O)C5CCCCC5CO)C(C)(C)C)[nH]4)cc3)cc2)[nH]1)C(C)(C)C.C[C@H]1C[C@@H](c2ncc(-c3ccc(-c4ccc(-c5cnc([C@@H]6C[C@H](C)CN6C(=O)C(=O)N6CCC(F)(F)CC6)[nH]5)cc4)cc3)[nH]2)N(C(=O)C(=O)N2CCC(C)(F)CC2)C1.
What is the InChIKey of 1-[(2S,4R)-2-[5-[4-[4-[2-[(2S,4R)-1-[2-(4,4-difluoropiperidin-1-yl)-2-oxoacetyl]-4-hydroxypyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-4-hydroxypyrrolidin-1-yl]-2-(4-fluoro-4-methylpiperidin-1-yl)ethane-1,2-dione;1-[(2S,4S)-2-[5-[4-[4-[2-[(2S,4S)-1-[2-(4,4-difluoropiperidin-1-yl)-2-oxoacetyl]-4-methylpyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-4-methylpyrrolidin-1-yl]-2-(4-fluoro-4-methylpiperidin-1-yl)ethane-1,2-dione;N-[(1S)-1-[5-[4-[4-[2-[(1S)-2,2-dimethyl-1-[[2-methyl-2-(propanoylamino)propanoyl]amino]propyl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-2,2-dimethylpropyl]-2-methyl-2-(propanoylamino)propanamide;2-ethyl-N-[(1S)-1-[5-[4-[4-[2-[(1S)-1-[[2-(hydroxymethyl)cyclohexanecarbonyl]amino]-2,2-dimethylpropyl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-2,2-dimethylpropyl]cyclohexane-1-carboxamide?
The InChIKey is NLOGRHMLEMJREN-NDEANSFKSA-N. The full InChI is InChI=1S/C45H62N6O3.C43H49F3N8O4.C42H58N8O4.C41H45F3N8O6/c1-8-28-13-9-11-15-34(28)42(53)50-38(44(2,3)4)40-46-25-36(48-40)31-21-17-29(18-22-31)30-19-23-32(24-20-30)37-26-47-41(49-37)39(45(5,6)7)51-43(54)35-16-12-10-14-33(35)27-52;1-26-20-34(53(24-26)40(57)38(55)51-16-12-42(3,44)13-17-51)36-47-22-32(49-36)30-8-4-28(5-9-30)29-6-10-31(11-7-29)33-23-48-37(50-33)35-21-27(2)25-54(35)41(58)39(56)52-18-14-43(45,46)15-19-52;1-13-31(51)49-41(9,10)37(53)47-33(39(3,4)5)35-43-23-29(45-35)27-19-15-25(16-20-27)26-17-21-28(22-18-26)30-24-44-36(46-30)34(40(6,7)8)48-38(54)42(11,12)50-32(52)14-2;1-40(42)10-14-49(15-11-40)36(55)38(57)51-22-28(53)18-32(51)34-45-20-30(47-34)26-6-2-24(3-7-26)25-4-8-27(9-5-25)31-21-46-35(48-31)33-19-29(54)23-52(33)39(58)37(56)50-16-12-41(43,44)13-17-50/h17-26,28,33-35,38-39,52H,8-16,27H2,1-7H3,(H,46,48)(H,47,49)(H,50,53)(H,51,54);4-11,22-23,26-27,34-35H,12-21,24-25H2,1-3H3,(H,47,49)(H,48,50);15-24,33-34H,13-14H2,1-12H3,(H,43,45)(H,44,46)(H,47,53)(H,48,54)(H,49,51)(H,50,52);2-9,20-21,28-29,32-33,53-54H,10-19,22-23H2,1H3,(H,45,47)(H,46,48)/t28?,33?,34?,35?,38-,39-;26-,27-,34-,35-;33-,34-;28-,29-,32+,33+/m1011/s1.
What are the key properties of 1-[(2S,4R)-2-[5-[4-[4-[2-[(2S,4R)-1-[2-(4,4-difluoropiperidin-1-yl)-2-oxoacetyl]-4-hydroxypyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-4-hydroxypyrrolidin-1-yl]-2-(4-fluoro-4-methylpiperidin-1-yl)ethane-1,2-dione;1-[(2S,4S)-2-[5-[4-[4-[2-[(2S,4S)-1-[2-(4,4-difluoropiperidin-1-yl)-2-oxoacetyl]-4-methylpyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-4-methylpyrrolidin-1-yl]-2-(4-fluoro-4-methylpiperidin-1-yl)ethane-1,2-dione;N-[(1S)-1-[5-[4-[4-[2-[(1S)-2,2-dimethyl-1-[[2-methyl-2-(propanoylamino)propanoyl]amino]propyl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-2,2-dimethylpropyl]-2-methyl-2-(propanoylamino)propanamide;2-ethyl-N-[(1S)-1-[5-[4-[4-[2-[(1S)-1-[[2-(hydroxymethyl)cyclohexanecarbonyl]amino]-2,2-dimethylpropyl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-2,2-dimethylpropyl]cyclohexane-1-carboxamide?
1-[(2S,4R)-2-[5-[4-[4-[2-[(2S,4R)-1-[2-(4,4-difluoropiperidin-1-yl)-2-oxoacetyl]-4-hydroxypyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-4-hydroxypyrrolidin-1-yl]-2-(4-fluoro-4-methylpiperidin-1-yl)ethane-1,2-dione;1-[(2S,4S)-2-[5-[4-[4-[2-[(2S,4S)-1-[2-(4,4-difluoropiperidin-1-yl)-2-oxoacetyl]-4-methylpyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-4-methylpyrrolidin-1-yl]-2-(4-fluoro-4-methylpiperidin-1-yl)ethane-1,2-dione;N-[(1S)-1-[5-[4-[4-[2-[(1S)-2,2-dimethyl-1-[[2-methyl-2-(propanoylamino)propanoyl]amino]propyl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-2,2-dimethylpropyl]-2-methyl-2-(propanoylamino)propanamide;2-ethyl-N-[(1S)-1-[5-[4-[4-[2-[(1S)-1-[[2-(hydroxymethyl)cyclohexanecarbonyl]amino]-2,2-dimethylpropyl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-2,2-dimethylpropyl]cyclohexane-1-carboxamide has a molecular weight of 3075.77 g/mol, XLogP of 27.28, 34 rotatable bonds, 17 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S,4R)-2-[5-[4-[4-[2-[(2S,4R)-1-[2-(4,4-difluoropiperidin-1-yl)-2-oxoacetyl]-4-hydroxypyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-4-hydroxypyrrolidin-1-yl]-2-(4-fluoro-4-methylpiperidin-1-yl)ethane-1,2-dione;1-[(2S,4S)-2-[5-[4-[4-[2-[(2S,4S)-1-[2-(4,4-difluoropiperidin-1-yl)-2-oxoacetyl]-4-methylpyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-4-methylpyrrolidin-1-yl]-2-(4-fluoro-4-methylpiperidin-1-yl)ethane-1,2-dione;N-[(1S)-1-[5-[4-[4-[2-[(1S)-2,2-dimethyl-1-[[2-methyl-2-(propanoylamino)propanoyl]amino]propyl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-2,2-dimethylpropyl]-2-methyl-2-(propanoylamino)propanamide;2-ethyl-N-[(1S)-1-[5-[4-[4-[2-[(1S)-1-[[2-(hydroxymethyl)cyclohexanecarbonyl]amino]-2,2-dimethylpropyl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-2,2-dimethylpropyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 159815488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).