(5R)-2-amino-3-[(1R,5S)-1-[4-chloro-3-[5-(difluoromethyl)-1,2,4-triazol-1-yl]phenyl]-6,6-difluoro-5-methyl-4-oxoheptyl]-5-[4-(2-cyclopropyltriazol-4-yl)phenyl]-5-(3,3,3-trifluoro-2,2-dimethylpropyl)imidazol-4-one;(5R)-2-amino-3-[(1R,5R)-1-[4-chloro-3-[5-(difluoromethyl)-1,2,4-triazol-1-yl]phenyl]-6,6-difluoro-5-methyl-4-oxoheptyl]-5-[4-(2-cyclopropyltriazol-4-yl)phenyl]-5-(3,3,3-trifluoro-2,2-dimethylpropyl)imidazol-4-one;(5R)-2-amino-3-[(1R)-1-[4-chloro-3-[5-(difluoromethyl)-1,2,4-triazol-1-yl]phenyl]-6,6-difluoro-4-oxoheptyl]-5-[4-(2-cyclopropyltriazol-4-yl)phenyl]-5-(3,3,3-trifluoro-2,2-dimethylpropyl)imidazol-4-one;(5R)-2-amino-3-[(1R)-1-[4-chloro-3-[5-(difluoromethyl)-1,2,4-triazol-1-yl]phenyl]-5-methyl-4-oxohexyl]-5-[4-(2-cyclopropyltriazol-4-yl)phenyl]-5-(3,3,3-trifluoro-2,2-dimethylpropyl)imidazol-4-one

C142H146Cl4F26N36O8 — CID 159446643

IUPAC(5R)-2-amino-3-[(1R,5S)-1-[4-chloro-3-[5-(difluoromethyl)-1,2,4-triazol-1-yl]phenyl]-6,6-difluoro-5-methyl-4-oxoheptyl]-5-[4-(2-cyclopropyltriazol-4-yl)phenyl]-5-(3,3,3-trifluoro-2,2-dimethylpropyl)imidazol-4-one;(5R)-2-amino-3-[(1R,5R)-1-[4-chloro-3-[5-(difluoromethyl)-1,2,4-triazol-1-yl]phenyl]-6,6-difluoro-5-methyl-4-oxoheptyl]-5-[4-(2-cyclopropyltriazol-4-yl)phenyl]-5-(3,3,3-trifluoro-2,2-dimethylpropyl)imidazol-4-one;(5R)-2-amino-3-[(1R)-1-[4-chloro-3-[5-(difluoromethyl)-1,2,4-triazol-1-yl]phenyl]-6,6-difluoro-4-oxoheptyl]-5-[4-(2-cyclopropyltriazol-4-yl)phenyl]-5-(3,3,3-trifluoro-2,2-dimethylpropyl)imidazol-4-one;(5R)-2-amino-3-[(1R)-1-[4-chloro-3-[5-(difluoromethyl)-1,2,4-triazol-1-yl]phenyl]-5-methyl-4-oxohexyl]-5-[4-(2-cyclopropyltriazol-4-yl)phenyl]-5-(3,3,3-trifluoro-2,2-dimethylpropyl)imidazol-4-one
SMILESCC(C)C(=O)CC[C@H](c1ccc(Cl)c(-n2ncnc2C(F)F)c1)N1C(=O)[C@@](CC(C)(C)C(F)(F)F)(c2ccc(-c3cnn(C4CC4)n3)cc2)N=C1N.CC(F)(F)CC(=O)CC[C@H](c1ccc(Cl)c(-n2ncnc2C(F)F)c1)N1C(=O)[C@@](CC(C)(C)C(F)(F)F)(c2ccc(-c3cnn(C4CC4)n3)cc2)N=C1N.C[C@@H](C(=O)CC[C@H](c1ccc(Cl)c(-n2ncnc2C(F)F)c1)N1C(=O)[C@@](CC(C)(C)C(F)(F)F)(c2ccc(-c3cnn(C4CC4)n3)cc2)N=C1N)C(C)(F)F.C[C@H](C(=O)CC[C@H](c1ccc(Cl)c(-n2ncnc2C(F)F)c1)N1C(=O)[C@@](CC(C)(C)C(F)(F)F)(c2ccc(-c3cnn(C4CC4)n3)cc2)N=C1N)C(C)(F)F
InChIInChI=1S/2C36H37ClF7N9O2.C35H35ClF7N9O2.C35H37ClF5N9O2/c2*1-19(34(4,40)41)28(54)14-13-26(21-7-12-24(37)27(15-21)52-30(29(38)39)46-18-48-52)51-31(55)35(49-32(51)45,17-33(2,3)36(42,43)44)22-8-5-20(6-9-22)25-16-47-53(50-25)23-10-11-23;1-32(2,35(41,42)43)17-34(21-7-4-19(5-8-21)25-16-46-52(49-25)22-9-10-22)30(54)50(31(44)48-34)26(13-11-23(53)15-33(3,39)40)20-6-12-24(36)27(14-20)51-29(28(37)38)45-18-47-51;1-19(2)28(51)14-13-26(21-7-12-24(36)27(15-21)49-30(29(37)38)43-18-45-49)48-31(52)34(46-32(48)42,17-33(3,4)35(39,40)41)22-8-5-20(6-9-22)25-16-44-50(47-25)23-10-11-23/h2*5-9,12,15-16,18-19,23,26,29H,10-11,13-14,17H2,1-4H3,(H2,45,49);4-8,12,14,16,18,22,26,28H,9-11,13,15,17H2,1-3H3,(H2,44,48);5-9,12,15-16,18-19,23,26,29H,10-11,13-14,17H2,1-4H3,(H2,42,46)/t19-,26+,35+;19-,26-,35-;2*26-,34-/m0111/s1
InChIKeyLSVNIFCEOOZWAU-RSECQASRSA-N
MW3120.73 g/mol
LogP31.78
Rot. Bonds55

About (5R)-2-amino-3-[(1R,5S)-1-[4-chloro-3-[5-(difluoromethyl)-1,2,4-triazol-1-yl]phenyl]-6,6-difluoro-5-methyl-4-oxoheptyl]-5-[4-(2-cyclopropyltriazol-4-yl)phenyl]-5-(3,3,3-trifluoro-2,2-dimethylpropyl)imidazol-4-one;(5R)-2-amino-3-[(1R,5R)-1-[4-chloro-3-[5-(difluoromethyl)-1,2,4-triazol-1-yl]phenyl]-6,6-difluoro-5-methyl-4-oxoheptyl]-5-[4-(2-cyclopropyltriazol-4-yl)phenyl]-5-(3,3,3-trifluoro-2,2-dimethylpropyl)imidazol-4-one;(5R)-2-amino-3-[(1R)-1-[4-chloro-3-[5-(difluoromethyl)-1,2,4-triazol-1-yl]phenyl]-6,6-difluoro-4-oxoheptyl]-5-[4-(2-cyclopropyltriazol-4-yl)phenyl]-5-(3,3,3-trifluoro-2,2-dimethylpropyl)imidazol-4-one;(5R)-2-amino-3-[(1R)-1-[4-chloro-3-[5-(difluoromethyl)-1,2,4-triazol-1-yl]phenyl]-5-methyl-4-oxohexyl]-5-[4-(2-cyclopropyltriazol-4-yl)phenyl]-5-(3,3,3-trifluoro-2,2-dimethylpropyl)imidazol-4-one

(5R)-2-amino-3-[(1R,5S)-1-[4-chloro-3-[5-(difluoromethyl)-1,2,4-triazol-1-yl]phenyl]-6,6-difluoro-5-methyl-4-oxoheptyl]-5-[4-(2-cyclopropyltriazol-4-yl)phenyl]-5-(3,3,3-trifluoro-2,2-dimethylpropyl)imidazol-4-one;(5R)-2-amino-3-[(1R,5R)-1-[4-chloro-3-[5-(difluoromethyl)-1,2,4-triazol-1-yl]phenyl]-6,6-difluoro-5-methyl-4-oxoheptyl]-5-[4-(2-cyclopropyltriazol-4-yl)phenyl]-5-(3,3,3-trifluoro-2,2-dimethylpropyl)imidazol-4-one;(5R)-2-amino-3-[(1R)-1-[4-chloro-3-[5-(difluoromethyl)-1,2,4-triazol-1-yl]phenyl]-6,6-difluoro-4-oxoheptyl]-5-[4-(2-cyclopropyltriazol-4-yl)phenyl]-5-(3,3,3-trifluoro-2,2-dimethylpropyl)imidazol-4-one;(5R)-2-amino-3-[(1R)-1-[4-chloro-3-[5-(difluoromethyl)-1,2,4-triazol-1-yl]phenyl]-5-methyl-4-oxohexyl]-5-[4-(2-cyclopropyltriazol-4-yl)phenyl]-5-(3,3,3-trifluoro-2,2-dimethylpropyl)imidazol-4-one (PubChem CID 159446643) has the molecular formula C142H146Cl4F26N36O8 and a molecular weight of 3120.73 g/mol. Its IUPAC name is (5R)-2-amino-3-[(1R,5S)-1-[4-chloro-3-[5-(difluoromethyl)-1,2,4-triazol-1-yl]phenyl]-6,6-difluoro-5-methyl-4-oxoheptyl]-5-[4-(2-cyclopropyltriazol-4-yl)phenyl]-5-(3,3,3-trifluoro-2,2-dimethylpropyl)imidazol-4-one;(5R)-2-amino-3-[(1R,5R)-1-[4-chloro-3-[5-(difluoromethyl)-1,2,4-triazol-1-yl]phenyl]-6,6-difluoro-5-methyl-4-oxoheptyl]-5-[4-(2-cyclopropyltriazol-4-yl)phenyl]-5-(3,3,3-trifluoro-2,2-dimethylpropyl)imidazol-4-one;(5R)-2-amino-3-[(1R)-1-[4-chloro-3-[5-(difluoromethyl)-1,2,4-triazol-1-yl]phenyl]-6,6-difluoro-4-oxoheptyl]-5-[4-(2-cyclopropyltriazol-4-yl)phenyl]-5-(3,3,3-trifluoro-2,2-dimethylpropyl)imidazol-4-one;(5R)-2-amino-3-[(1R)-1-[4-chloro-3-[5-(difluoromethyl)-1,2,4-triazol-1-yl]phenyl]-5-methyl-4-oxohexyl]-5-[4-(2-cyclopropyltriazol-4-yl)phenyl]-5-(3,3,3-trifluoro-2,2-dimethylpropyl)imidazol-4-one.

Molecular Properties

Compound Name(5R)-2-amino-3-[(1R,5S)-1-[4-chloro-3-[5-(difluoromethyl)-1,2,4-triazol-1-yl]phenyl]-6,6-difluoro-5-methyl-4-oxoheptyl]-5-[4-(2-cyclopropyltriazol-4-yl)phenyl]-5-(3,3,3-trifluoro-2,2-dimethylpropyl)imidazol-4-one;(5R)-2-amino-3-[(1R,5R)-1-[4-chloro-3-[5-(difluoromethyl)-1,2,4-triazol-1-yl]phenyl]-6,6-difluoro-5-methyl-4-oxoheptyl]-5-[4-(2-cyclopropyltriazol-4-yl)phenyl]-5-(3,3,3-trifluoro-2,2-dimethylpropyl)imidazol-4-one;(5R)-2-amino-3-[(1R)-1-[4-chloro-3-[5-(difluoromethyl)-1,2,4-triazol-1-yl]phenyl]-6,6-difluoro-4-oxoheptyl]-5-[4-(2-cyclopropyltriazol-4-yl)phenyl]-5-(3,3,3-trifluoro-2,2-dimethylpropyl)imidazol-4-one;(5R)-2-amino-3-[(1R)-1-[4-chloro-3-[5-(difluoromethyl)-1,2,4-triazol-1-yl]phenyl]-5-methyl-4-oxohexyl]-5-[4-(2-cyclopropyltriazol-4-yl)phenyl]-5-(3,3,3-trifluoro-2,2-dimethylpropyl)imidazol-4-one
PubChem CID159446643
Molecular FormulaC142H146Cl4F26N36O8
Molecular Weight3120.73 g/mol
Exact Mass3117.05
IUPAC Name(5R)-2-amino-3-[(1R,5S)-1-[4-chloro-3-[5-(difluoromethyl)-1,2,4-triazol-1-yl]phenyl]-6,6-difluoro-5-methyl-4-oxoheptyl]-5-[4-(2-cyclopropyltriazol-4-yl)phenyl]-5-(3,3,3-trifluoro-2,2-dimethylpropyl)imidazol-4-one;(5R)-2-amino-3-[(1R,5R)-1-[4-chloro-3-[5-(difluoromethyl)-1,2,4-triazol-1-yl]phenyl]-6,6-difluoro-5-methyl-4-oxoheptyl]-5-[4-(2-cyclopropyltriazol-4-yl)phenyl]-5-(3,3,3-trifluoro-2,2-dimethylpropyl)imidazol-4-one;(5R)-2-amino-3-[(1R)-1-[4-chloro-3-[5-(difluoromethyl)-1,2,4-triazol-1-yl]phenyl]-6,6-difluoro-4-oxoheptyl]-5-[4-(2-cyclopropyltriazol-4-yl)phenyl]-5-(3,3,3-trifluoro-2,2-dimethylpropyl)imidazol-4-one;(5R)-2-amino-3-[(1R)-1-[4-chloro-3-[5-(difluoromethyl)-1,2,4-triazol-1-yl]phenyl]-5-methyl-4-oxohexyl]-5-[4-(2-cyclopropyltriazol-4-yl)phenyl]-5-(3,3,3-trifluoro-2,2-dimethylpropyl)imidazol-4-one
SMILESCC(C)C(=O)CC[C@H](c1ccc(Cl)c(-n2ncnc2C(F)F)c1)N1C(=O)[C@@](CC(C)(C)C(F)(F)F)(c2ccc(-c3cnn(C4CC4)n3)cc2)N=C1N.CC(F)(F)CC(=O)CC[C@H](c1ccc(Cl)c(-n2ncnc2C(F)F)c1)N1C(=O)[C@@](CC(C)(C)C(F)(F)F)(c2ccc(-c3cnn(C4CC4)n3)cc2)N=C1N.C[C@@H](C(=O)CC[C@H](c1ccc(Cl)c(-n2ncnc2C(F)F)c1)N1C(=O)[C@@](CC(C)(C)C(F)(F)F)(c2ccc(-c3cnn(C4CC4)n3)cc2)N=C1N)C(C)(F)F.C[C@H](C(=O)CC[C@H](c1ccc(Cl)c(-n2ncnc2C(F)F)c1)N1C(=O)[C@@](CC(C)(C)C(F)(F)F)(c2ccc(-c3cnn(C4CC4)n3)cc2)N=C1N)C(C)(F)F
InChIInChI=1S/2C36H37ClF7N9O2.C35H35ClF7N9O2.C35H37ClF5N9O2/c2*1-19(34(4,40)41)28(54)14-13-26(21-7-12-24(37)27(15-21)52-30(29(38)39)46-18-48-52)51-31(55)35(49-32(51)45,17-33(2,3)36(42,43)44)22-8-5-20(6-9-22)25-16-47-53(50-25)23-10-11-23;1-32(2,35(41,42)43)17-34(21-7-4-19(5-8-21)25-16-46-52(49-25)22-9-10-22)30(54)50(31(44)48-34)26(13-11-23(53)15-33(3,39)40)20-6-12-24(36)27(14-20)51-29(28(37)38)45-18-47-51;1-19(2)28(51)14-13-26(21-7-12-24(36)27(15-21)49-30(29(37)38)43-18-45-49)48-31(52)34(46-32(48)42,17-33(3,4)35(39,40)41)22-8-5-20(6-9-22)25-16-44-50(47-25)23-10-11-23/h2*5-9,12,15-16,18-19,23,26,29H,10-11,13-14,17H2,1-4H3,(H2,45,49);4-8,12,14,16,18,22,26,28H,9-11,13,15,17H2,1-3H3,(H2,44,48);5-9,12,15-16,18-19,23,26,29H,10-11,13-14,17H2,1-4H3,(H2,42,46)/t19-,26+,35+;19-,26-,35-;2*26-,34-/m0111/s1
InChIKeyLSVNIFCEOOZWAU-RSECQASRSA-N
XLogP31.78
TPSA548.72 Ų
H-Bond Donors4
H-Bond Acceptors40
Rotatable Bonds55
Heavy Atoms216
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003120.73
LogP ≤ 531.78
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1040

Analyze (5R)-2-amino-3-[(1R,5S)-1-[4-chloro-3-[5-(difluoromethyl)-1,2,4-triazol-1-yl]phenyl]-6,6-difluoro-5-methyl-4-oxoheptyl]-5-[4-(2-cyclopropyltriazol-4-yl)phenyl]-5-(3,3,3-trifluoro-2,2-dimethylpropyl)imidazol-4-one;(5R)-2-amino-3-[(1R,5R)-1-[4-chloro-3-[5-(difluoromethyl)-1,2,4-triazol-1-yl]phenyl]-6,6-difluoro-5-methyl-4-oxoheptyl]-5-[4-(2-cyclopropyltriazol-4-yl)phenyl]-5-(3,3,3-trifluoro-2,2-dimethylpropyl)imidazol-4-one;(5R)-2-amino-3-[(1R)-1-[4-chloro-3-[5-(difluoromethyl)-1,2,4-triazol-1-yl]phenyl]-6,6-difluoro-4-oxoheptyl]-5-[4-(2-cyclopropyltriazol-4-yl)phenyl]-5-(3,3,3-trifluoro-2,2-dimethylpropyl)imidazol-4-one;(5R)-2-amino-3-[(1R)-1-[4-chloro-3-[5-(difluoromethyl)-1,2,4-triazol-1-yl]phenyl]-5-methyl-4-oxohexyl]-5-[4-(2-cyclopropyltriazol-4-yl)phenyl]-5-(3,3,3-trifluoro-2,2-dimethylpropyl)imidazol-4-one with MolForge

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Launch Full Analysis

Related Compounds

(5R)-2-amino-3-[(1R)-1-[4-chloro-3-[5-(difluoromethyl)-1,2,4-triazol-1-yl]phenyl]-6,6-difluoro-4-oxoheptyl]-5-[4-(2-cyclopropyltriazol-4-yl)phenyl]-5-(3,3,3-trifluoro-2,2-dimethylpropyl)imidazol-4-one
CID 157089783
(5R)-2-amino-3-[(1R)-1-[4-chloro-3-[5-(difluoromethyl)-1,2,4-triazol-1-yl]phenyl]-6,6,6-trifluoro-4-oxohexyl]-5-[4-(2-cyclopropyltriazol-4-yl)phenyl]-5-(3,3,3-trifluoro-2,2-dimethylpropyl)imidazol-4-one
CID 149174615
methyl N-[(2S)-2-[(4R)-2-amino-4-[4-(2-cyclopropyltriazol-4-yl)phenyl]-5-oxo-4-(3,3,3-trifluoro-2,2-dimethylpropyl)imidazol-1-yl]-2-[4-chloro-3-[5-(difluoromethyl)-1,2,4-triazol-1-yl]phenyl]ethyl]carbamate
CID 155903575
(2R)-N-[(2S)-2-[(4R)-2-amino-4-[4-(2-cyclopropyltriazol-4-yl)phenyl]-4-(2,2-dimethylpropyl)-5-oxoimidazol-1-yl]-2-[4-chloro-3-[5-(difluoromethyl)-1,2,4-triazol-1-yl]phenyl]ethyl]-3,3,3-trifluoro-2-methylpropanamide
CID 139304764
[(2S)-2-[(4R)-2-amino-4-[4-(2-cyclopropyltriazol-4-yl)phenyl]-5-oxo-4-(3,3,3-trifluoro-2,2-dimethylpropyl)imidazol-1-yl]-2-[4-chloro-3-[2-(difluoromethyl)-1,2,4-triazol-3-yl]phenyl]ethyl]-[1-(difluoromethyl)cyclopropyl]carbamic acid
CID 155213337
[(2S)-2-[(4R)-2-amino-4-[4-(2-cyclopropyltriazol-4-yl)-2-fluorophenyl]-4-(2,2-dimethylpropyl)-5-oxoimidazol-1-yl]-2-[4-chloro-3-[5-(difluoromethyl)-1,2,4-triazol-1-yl]phenyl]ethyl] N-[1-(trifluoromethyl)cyclopropyl]carbamate
CID 138552543
[(2S)-2-[(4R)-2-amino-4-[4-(2-cyclopropyltriazol-4-yl)phenyl]-4-(2,2-dimethylpropyl)-5-oxoimidazol-1-yl]-2-[4-chloro-3-[5-(difluoromethyl)-1,2,4-triazol-1-yl]phenyl]ethyl] 2-[1-(1,1-difluoroethyl)cyclopropyl]acetate;[(2S)-2-[(4R)-2-amino-4-[4-[1-(difluoromethyl)pyrazol-4-yl]phenyl]-4-(2,2-dimethylpropyl)-5-oxoimidazol-1-yl]-2-[4-chloro-3-[5-(difluoromethyl)-1,2,4-triazol-1-yl]phenyl]ethyl] (3R)-4-fluoro-3-methylpentanoate;[(2S)-2-[(4R)-2-amino-4-[4-[1-(difluoromethyl)pyrazol-4-yl]phenyl]-4-(2,2-dimethylpropyl)-5-oxoimidazol-1-yl]-2-[4-chloro-3-[5-(difluoromethyl)-1,2,4-triazol-1-yl]phenyl]ethyl] (3S)-4-fluoro-3-methylpentanoate;[(2S)-2-[(4R)-2-amino-4-(2,2-dimethylpropyl)-5-oxo-4-[4-(tetrazol-1-yl)phenyl]imidazol-1-yl]-2-[4-chloro-3-[5-(difluoromethyl)-1,2,4-triazol-1-yl]phenyl]ethyl] 2-[1-(1,1-difluoroethyl)cyclopropyl]acetate;[(2S)-2-[(4R)-2-amino-4-(2,2-dimethylpropyl)-5-oxo-4-[4-(1,2,4-triazol-1-yl)phenyl]imidazol-1-yl]-2-[4-chloro-3-[5-(difluoromethyl)-1,2,4-triazol-1-yl]phenyl]ethyl] 2-(1-methylcyclopropyl)acetate
CID 162030822
[(2S)-2-[(4R)-2-amino-4-[4-(2-cyclopropyltriazol-4-yl)phenyl]-4-(2,2-dimethylpropyl)-5-oxoimidazol-1-yl]-2-[4-chloro-3-[2-(difluoromethyl)-1,2,4-triazol-3-yl]phenyl]ethyl] 4,4,4-trifluoro-3-methylbutanoate
CID 158812977
[(2S)-2-[(4R)-2-amino-4-(2,2-dimethylpropyl)-5-oxo-4-[4-(2H-triazol-4-yl)phenyl]imidazol-1-yl]-2-[4-chloro-3-[5-(difluoromethyl)-1,2,4-triazol-1-yl]phenyl]ethyl] 2-[1-(1,1-difluoroethyl)cyclopropyl]acetate
CID 157167673
(5R)-2-amino-3-[(1S)-1-[4-chloro-3-[5-(difluoromethyl)-1,2,4-triazol-1-yl]phenyl]-2-hydroxyethyl]-5-(2,2-dimethylpropyl)-5-(4-pyrimidin-2-ylphenyl)imidazol-4-one
CID 142559316
[(2S)-2-[(4R)-2-amino-4-[4-(1-methylsulfonylpyrazol-4-yl)phenyl]-5-oxo-4-(3,3,3-trifluoro-2,2-dimethylpropyl)imidazol-1-yl]-2-[4-chloro-3-[5-(difluoromethyl)-1,2,4-triazol-1-yl]phenyl]ethyl] 2-[1-(trifluoromethyl)cyclopropyl]acetate
CID 161026773
[(2S)-2-[(4R)-2-amino-4-(2,2-dimethylpropyl)-5-oxo-4-(4-pyrazin-2-ylphenyl)imidazol-1-yl]-2-[4-chloro-3-[5-(difluoromethyl)-1,2,4-triazol-1-yl]phenyl]ethyl] 2-[1-(trifluoromethyl)cyclopropyl]acetate
CID 160727137

Frequently Asked Questions

What is the IUPAC name of (5R)-2-amino-3-[(1R,5S)-1-[4-chloro-3-[5-(difluoromethyl)-1,2,4-triazol-1-yl]phenyl]-6,6-difluoro-5-methyl-4-oxoheptyl]-5-[4-(2-cyclopropyltriazol-4-yl)phenyl]-5-(3,3,3-trifluoro-2,2-dimethylpropyl)imidazol-4-one;(5R)-2-amino-3-[(1R,5R)-1-[4-chloro-3-[5-(difluoromethyl)-1,2,4-triazol-1-yl]phenyl]-6,6-difluoro-5-methyl-4-oxoheptyl]-5-[4-(2-cyclopropyltriazol-4-yl)phenyl]-5-(3,3,3-trifluoro-2,2-dimethylpropyl)imidazol-4-one;(5R)-2-amino-3-[(1R)-1-[4-chloro-3-[5-(difluoromethyl)-1,2,4-triazol-1-yl]phenyl]-6,6-difluoro-4-oxoheptyl]-5-[4-(2-cyclopropyltriazol-4-yl)phenyl]-5-(3,3,3-trifluoro-2,2-dimethylpropyl)imidazol-4-one;(5R)-2-amino-3-[(1R)-1-[4-chloro-3-[5-(difluoromethyl)-1,2,4-triazol-1-yl]phenyl]-5-methyl-4-oxohexyl]-5-[4-(2-cyclopropyltriazol-4-yl)phenyl]-5-(3,3,3-trifluoro-2,2-dimethylpropyl)imidazol-4-one?
The IUPAC name of (5R)-2-amino-3-[(1R,5S)-1-[4-chloro-3-[5-(difluoromethyl)-1,2,4-triazol-1-yl]phenyl]-6,6-difluoro-5-methyl-4-oxoheptyl]-5-[4-(2-cyclopropyltriazol-4-yl)phenyl]-5-(3,3,3-trifluoro-2,2-dimethylpropyl)imidazol-4-one;(5R)-2-amino-3-[(1R,5R)-1-[4-chloro-3-[5-(difluoromethyl)-1,2,4-triazol-1-yl]phenyl]-6,6-difluoro-5-methyl-4-oxoheptyl]-5-[4-(2-cyclopropyltriazol-4-yl)phenyl]-5-(3,3,3-trifluoro-2,2-dimethylpropyl)imidazol-4-one;(5R)-2-amino-3-[(1R)-1-[4-chloro-3-[5-(difluoromethyl)-1,2,4-triazol-1-yl]phenyl]-6,6-difluoro-4-oxoheptyl]-5-[4-(2-cyclopropyltriazol-4-yl)phenyl]-5-(3,3,3-trifluoro-2,2-dimethylpropyl)imidazol-4-one;(5R)-2-amino-3-[(1R)-1-[4-chloro-3-[5-(difluoromethyl)-1,2,4-triazol-1-yl]phenyl]-5-methyl-4-oxohexyl]-5-[4-(2-cyclopropyltriazol-4-yl)phenyl]-5-(3,3,3-trifluoro-2,2-dimethylpropyl)imidazol-4-one (CID 159446643) is (5R)-2-amino-3-[(1R,5S)-1-[4-chloro-3-[5-(difluoromethyl)-1,2,4-triazol-1-yl]phenyl]-6,6-difluoro-5-methyl-4-oxoheptyl]-5-[4-(2-cyclopropyltriazol-4-yl)phenyl]-5-(3,3,3-trifluoro-2,2-dimethylpropyl)imidazol-4-one;(5R)-2-amino-3-[(1R,5R)-1-[4-chloro-3-[5-(difluoromethyl)-1,2,4-triazol-1-yl]phenyl]-6,6-difluoro-5-methyl-4-oxoheptyl]-5-[4-(2-cyclopropyltriazol-4-yl)phenyl]-5-(3,3,3-trifluoro-2,2-dimethylpropyl)imidazol-4-one;(5R)-2-amino-3-[(1R)-1-[4-chloro-3-[5-(difluoromethyl)-1,2,4-triazol-1-yl]phenyl]-6,6-difluoro-4-oxoheptyl]-5-[4-(2-cyclopropyltriazol-4-yl)phenyl]-5-(3,3,3-trifluoro-2,2-dimethylpropyl)imidazol-4-one;(5R)-2-amino-3-[(1R)-1-[4-chloro-3-[5-(difluoromethyl)-1,2,4-triazol-1-yl]phenyl]-5-methyl-4-oxohexyl]-5-[4-(2-cyclopropyltriazol-4-yl)phenyl]-5-(3,3,3-trifluoro-2,2-dimethylpropyl)imidazol-4-one.
What is the SMILES notation for (5R)-2-amino-3-[(1R,5S)-1-[4-chloro-3-[5-(difluoromethyl)-1,2,4-triazol-1-yl]phenyl]-6,6-difluoro-5-methyl-4-oxoheptyl]-5-[4-(2-cyclopropyltriazol-4-yl)phenyl]-5-(3,3,3-trifluoro-2,2-dimethylpropyl)imidazol-4-one;(5R)-2-amino-3-[(1R,5R)-1-[4-chloro-3-[5-(difluoromethyl)-1,2,4-triazol-1-yl]phenyl]-6,6-difluoro-5-methyl-4-oxoheptyl]-5-[4-(2-cyclopropyltriazol-4-yl)phenyl]-5-(3,3,3-trifluoro-2,2-dimethylpropyl)imidazol-4-one;(5R)-2-amino-3-[(1R)-1-[4-chloro-3-[5-(difluoromethyl)-1,2,4-triazol-1-yl]phenyl]-6,6-difluoro-4-oxoheptyl]-5-[4-(2-cyclopropyltriazol-4-yl)phenyl]-5-(3,3,3-trifluoro-2,2-dimethylpropyl)imidazol-4-one;(5R)-2-amino-3-[(1R)-1-[4-chloro-3-[5-(difluoromethyl)-1,2,4-triazol-1-yl]phenyl]-5-methyl-4-oxohexyl]-5-[4-(2-cyclopropyltriazol-4-yl)phenyl]-5-(3,3,3-trifluoro-2,2-dimethylpropyl)imidazol-4-one?
The canonical SMILES for (5R)-2-amino-3-[(1R,5S)-1-[4-chloro-3-[5-(difluoromethyl)-1,2,4-triazol-1-yl]phenyl]-6,6-difluoro-5-methyl-4-oxoheptyl]-5-[4-(2-cyclopropyltriazol-4-yl)phenyl]-5-(3,3,3-trifluoro-2,2-dimethylpropyl)imidazol-4-one;(5R)-2-amino-3-[(1R,5R)-1-[4-chloro-3-[5-(difluoromethyl)-1,2,4-triazol-1-yl]phenyl]-6,6-difluoro-5-methyl-4-oxoheptyl]-5-[4-(2-cyclopropyltriazol-4-yl)phenyl]-5-(3,3,3-trifluoro-2,2-dimethylpropyl)imidazol-4-one;(5R)-2-amino-3-[(1R)-1-[4-chloro-3-[5-(difluoromethyl)-1,2,4-triazol-1-yl]phenyl]-6,6-difluoro-4-oxoheptyl]-5-[4-(2-cyclopropyltriazol-4-yl)phenyl]-5-(3,3,3-trifluoro-2,2-dimethylpropyl)imidazol-4-one;(5R)-2-amino-3-[(1R)-1-[4-chloro-3-[5-(difluoromethyl)-1,2,4-triazol-1-yl]phenyl]-5-methyl-4-oxohexyl]-5-[4-(2-cyclopropyltriazol-4-yl)phenyl]-5-(3,3,3-trifluoro-2,2-dimethylpropyl)imidazol-4-one is CC(C)C(=O)CC[C@H](c1ccc(Cl)c(-n2ncnc2C(F)F)c1)N1C(=O)[C@@](CC(C)(C)C(F)(F)F)(c2ccc(-c3cnn(C4CC4)n3)cc2)N=C1N.CC(F)(F)CC(=O)CC[C@H](c1ccc(Cl)c(-n2ncnc2C(F)F)c1)N1C(=O)[C@@](CC(C)(C)C(F)(F)F)(c2ccc(-c3cnn(C4CC4)n3)cc2)N=C1N.C[C@@H](C(=O)CC[C@H](c1ccc(Cl)c(-n2ncnc2C(F)F)c1)N1C(=O)[C@@](CC(C)(C)C(F)(F)F)(c2ccc(-c3cnn(C4CC4)n3)cc2)N=C1N)C(C)(F)F.C[C@H](C(=O)CC[C@H](c1ccc(Cl)c(-n2ncnc2C(F)F)c1)N1C(=O)[C@@](CC(C)(C)C(F)(F)F)(c2ccc(-c3cnn(C4CC4)n3)cc2)N=C1N)C(C)(F)F.
What is the InChIKey of (5R)-2-amino-3-[(1R,5S)-1-[4-chloro-3-[5-(difluoromethyl)-1,2,4-triazol-1-yl]phenyl]-6,6-difluoro-5-methyl-4-oxoheptyl]-5-[4-(2-cyclopropyltriazol-4-yl)phenyl]-5-(3,3,3-trifluoro-2,2-dimethylpropyl)imidazol-4-one;(5R)-2-amino-3-[(1R,5R)-1-[4-chloro-3-[5-(difluoromethyl)-1,2,4-triazol-1-yl]phenyl]-6,6-difluoro-5-methyl-4-oxoheptyl]-5-[4-(2-cyclopropyltriazol-4-yl)phenyl]-5-(3,3,3-trifluoro-2,2-dimethylpropyl)imidazol-4-one;(5R)-2-amino-3-[(1R)-1-[4-chloro-3-[5-(difluoromethyl)-1,2,4-triazol-1-yl]phenyl]-6,6-difluoro-4-oxoheptyl]-5-[4-(2-cyclopropyltriazol-4-yl)phenyl]-5-(3,3,3-trifluoro-2,2-dimethylpropyl)imidazol-4-one;(5R)-2-amino-3-[(1R)-1-[4-chloro-3-[5-(difluoromethyl)-1,2,4-triazol-1-yl]phenyl]-5-methyl-4-oxohexyl]-5-[4-(2-cyclopropyltriazol-4-yl)phenyl]-5-(3,3,3-trifluoro-2,2-dimethylpropyl)imidazol-4-one?
The InChIKey is LSVNIFCEOOZWAU-RSECQASRSA-N. The full InChI is InChI=1S/2C36H37ClF7N9O2.C35H35ClF7N9O2.C35H37ClF5N9O2/c2*1-19(34(4,40)41)28(54)14-13-26(21-7-12-24(37)27(15-21)52-30(29(38)39)46-18-48-52)51-31(55)35(49-32(51)45,17-33(2,3)36(42,43)44)22-8-5-20(6-9-22)25-16-47-53(50-25)23-10-11-23;1-32(2,35(41,42)43)17-34(21-7-4-19(5-8-21)25-16-46-52(49-25)22-9-10-22)30(54)50(31(44)48-34)26(13-11-23(53)15-33(3,39)40)20-6-12-24(36)27(14-20)51-29(28(37)38)45-18-47-51;1-19(2)28(51)14-13-26(21-7-12-24(36)27(15-21)49-30(29(37)38)43-18-45-49)48-31(52)34(46-32(48)42,17-33(3,4)35(39,40)41)22-8-5-20(6-9-22)25-16-44-50(47-25)23-10-11-23/h2*5-9,12,15-16,18-19,23,26,29H,10-11,13-14,17H2,1-4H3,(H2,45,49);4-8,12,14,16,18,22,26,28H,9-11,13,15,17H2,1-3H3,(H2,44,48);5-9,12,15-16,18-19,23,26,29H,10-11,13-14,17H2,1-4H3,(H2,42,46)/t19-,26+,35+;19-,26-,35-;2*26-,34-/m0111/s1.
What are the key properties of (5R)-2-amino-3-[(1R,5S)-1-[4-chloro-3-[5-(difluoromethyl)-1,2,4-triazol-1-yl]phenyl]-6,6-difluoro-5-methyl-4-oxoheptyl]-5-[4-(2-cyclopropyltriazol-4-yl)phenyl]-5-(3,3,3-trifluoro-2,2-dimethylpropyl)imidazol-4-one;(5R)-2-amino-3-[(1R,5R)-1-[4-chloro-3-[5-(difluoromethyl)-1,2,4-triazol-1-yl]phenyl]-6,6-difluoro-5-methyl-4-oxoheptyl]-5-[4-(2-cyclopropyltriazol-4-yl)phenyl]-5-(3,3,3-trifluoro-2,2-dimethylpropyl)imidazol-4-one;(5R)-2-amino-3-[(1R)-1-[4-chloro-3-[5-(difluoromethyl)-1,2,4-triazol-1-yl]phenyl]-6,6-difluoro-4-oxoheptyl]-5-[4-(2-cyclopropyltriazol-4-yl)phenyl]-5-(3,3,3-trifluoro-2,2-dimethylpropyl)imidazol-4-one;(5R)-2-amino-3-[(1R)-1-[4-chloro-3-[5-(difluoromethyl)-1,2,4-triazol-1-yl]phenyl]-5-methyl-4-oxohexyl]-5-[4-(2-cyclopropyltriazol-4-yl)phenyl]-5-(3,3,3-trifluoro-2,2-dimethylpropyl)imidazol-4-one?
(5R)-2-amino-3-[(1R,5S)-1-[4-chloro-3-[5-(difluoromethyl)-1,2,4-triazol-1-yl]phenyl]-6,6-difluoro-5-methyl-4-oxoheptyl]-5-[4-(2-cyclopropyltriazol-4-yl)phenyl]-5-(3,3,3-trifluoro-2,2-dimethylpropyl)imidazol-4-one;(5R)-2-amino-3-[(1R,5R)-1-[4-chloro-3-[5-(difluoromethyl)-1,2,4-triazol-1-yl]phenyl]-6,6-difluoro-5-methyl-4-oxoheptyl]-5-[4-(2-cyclopropyltriazol-4-yl)phenyl]-5-(3,3,3-trifluoro-2,2-dimethylpropyl)imidazol-4-one;(5R)-2-amino-3-[(1R)-1-[4-chloro-3-[5-(difluoromethyl)-1,2,4-triazol-1-yl]phenyl]-6,6-difluoro-4-oxoheptyl]-5-[4-(2-cyclopropyltriazol-4-yl)phenyl]-5-(3,3,3-trifluoro-2,2-dimethylpropyl)imidazol-4-one;(5R)-2-amino-3-[(1R)-1-[4-chloro-3-[5-(difluoromethyl)-1,2,4-triazol-1-yl]phenyl]-5-methyl-4-oxohexyl]-5-[4-(2-cyclopropyltriazol-4-yl)phenyl]-5-(3,3,3-trifluoro-2,2-dimethylpropyl)imidazol-4-one has a molecular weight of 3120.73 g/mol, XLogP of 31.78, 55 rotatable bonds, 4 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-2-amino-3-[(1R,5S)-1-[4-chloro-3-[5-(difluoromethyl)-1,2,4-triazol-1-yl]phenyl]-6,6-difluoro-5-methyl-4-oxoheptyl]-5-[4-(2-cyclopropyltriazol-4-yl)phenyl]-5-(3,3,3-trifluoro-2,2-dimethylpropyl)imidazol-4-one;(5R)-2-amino-3-[(1R,5R)-1-[4-chloro-3-[5-(difluoromethyl)-1,2,4-triazol-1-yl]phenyl]-6,6-difluoro-5-methyl-4-oxoheptyl]-5-[4-(2-cyclopropyltriazol-4-yl)phenyl]-5-(3,3,3-trifluoro-2,2-dimethylpropyl)imidazol-4-one;(5R)-2-amino-3-[(1R)-1-[4-chloro-3-[5-(difluoromethyl)-1,2,4-triazol-1-yl]phenyl]-6,6-difluoro-4-oxoheptyl]-5-[4-(2-cyclopropyltriazol-4-yl)phenyl]-5-(3,3,3-trifluoro-2,2-dimethylpropyl)imidazol-4-one;(5R)-2-amino-3-[(1R)-1-[4-chloro-3-[5-(difluoromethyl)-1,2,4-triazol-1-yl]phenyl]-5-methyl-4-oxohexyl]-5-[4-(2-cyclopropyltriazol-4-yl)phenyl]-5-(3,3,3-trifluoro-2,2-dimethylpropyl)imidazol-4-one is sourced from PubChem (CID 159446643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).