(5R)-2-amino-3-[(1R)-1-[4-chloro-3-[5-(difluoromethyl)-1,2,4-triazol-1-yl]phenyl]-5-cyclopropyl-4-oxopentyl]-5-[4-(2-cyclopropyltriazol-4-yl)phenyl]-5-(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-(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-(2,2-dimethylpropyl)imidazol-4-one;(5R)-2-amino-3-[(1R)-1-[4-chloro-3-[5-(difluoromethyl)-1,2,4-triazol-1-yl]phenyl]-4-(1-methylcyclopropyl)-4-oxobutyl]-5-[4-(2-cyclopropyltriazol-4-yl)phenyl]-5-(2,2-dimethylpropyl)imidazol-4-one

C143H158Cl4F12N36O8 — CID 158208491

IUPAC(5R)-2-amino-3-[(1R)-1-[4-chloro-3-[5-(difluoromethyl)-1,2,4-triazol-1-yl]phenyl]-5-cyclopropyl-4-oxopentyl]-5-[4-(2-cyclopropyltriazol-4-yl)phenyl]-5-(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-(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-(2,2-dimethylpropyl)imidazol-4-one;(5R)-2-amino-3-[(1R)-1-[4-chloro-3-[5-(difluoromethyl)-1,2,4-triazol-1-yl]phenyl]-4-(1-methylcyclopropyl)-4-oxobutyl]-5-[4-(2-cyclopropyltriazol-4-yl)phenyl]-5-(2,2-dimethylpropyl)imidazol-4-one
SMILESCC(C)(C)C[C@]1(c2ccc(-c3cnn(C4CC4)n3)cc2)N=C(N)N([C@H](CCC(=O)C2(C)CC2)c2ccc(Cl)c(-n3ncnc3C(F)F)c2)C1=O.CC(C)(C)C[C@]1(c2ccc(-c3cnn(C4CC4)n3)cc2)N=C(N)N([C@H](CCC(=O)CC(C)(F)F)c2ccc(Cl)c(-n3ncnc3C(F)F)c2)C1=O.CC(C)(C)C[C@]1(c2ccc(-c3cnn(C4CC4)n3)cc2)N=C(N)N([C@H](CCC(=O)CC2CC2)c2ccc(Cl)c(-n3ncnc3C(F)F)c2)C1=O.C[C@H](C(=O)CC[C@H](c1ccc(Cl)c(-n2ncnc2C(F)F)c1)N1C(=O)[C@@](CC(C)(C)C)(c2ccc(-c3cnn(C4CC4)n3)cc2)N=C1N)C(C)(F)F
InChIInChI=1S/C36H40ClF4N9O2.2C36H40ClF2N9O2.C35H38ClF4N9O2/c1-20(35(5,40)41)29(51)15-14-27(22-8-13-25(37)28(16-22)49-31(30(38)39)43-19-45-49)48-32(52)36(46-33(48)42,18-34(2,3)4)23-9-6-21(7-10-23)26-17-44-50(47-26)24-11-12-24;1-34(2,3)19-36(23-8-5-21(6-9-23)26-18-42-48(45-26)24-10-11-24)32(50)46(33(40)44-36)27(13-14-29(49)35(4)15-16-35)22-7-12-25(37)28(17-22)47-31(30(38)39)41-20-43-47;1-35(2,3)19-36(24-9-6-22(7-10-24)28-18-42-48(45-28)25-11-12-25)33(50)46(34(40)44-36)29(15-13-26(49)16-21-4-5-21)23-8-14-27(37)30(17-23)47-32(31(38)39)41-20-43-47;1-33(2,3)18-35(22-8-5-20(6-9-22)26-17-43-49(46-26)23-10-11-23)31(51)47(32(41)45-35)27(14-12-24(50)16-34(4,39)40)21-7-13-25(36)28(15-21)48-30(29(37)38)42-19-44-48/h6-10,13,16-17,19-20,24,27,30H,11-12,14-15,18H2,1-5H3,(H2,42,46);5-9,12,17-18,20,24,27,30H,10-11,13-16,19H2,1-4H3,(H2,40,44);6-10,14,17-18,20-21,25,29,31H,4-5,11-13,15-16,19H2,1-3H3,(H2,40,44);5-9,13,15,17,19,23,27,29H,10-12,14,16,18H2,1-4H3,(H2,41,45)/t20-,27-,36-;27-,36-;29-,36-;27-,35-/m1111/s1
InChIKeyGBTXNXGCLVMCRC-SFEOSNCYSA-N
MW2878.87 g/mol
LogP29.26
Rot. Bonds51

About (5R)-2-amino-3-[(1R)-1-[4-chloro-3-[5-(difluoromethyl)-1,2,4-triazol-1-yl]phenyl]-5-cyclopropyl-4-oxopentyl]-5-[4-(2-cyclopropyltriazol-4-yl)phenyl]-5-(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-(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-(2,2-dimethylpropyl)imidazol-4-one;(5R)-2-amino-3-[(1R)-1-[4-chloro-3-[5-(difluoromethyl)-1,2,4-triazol-1-yl]phenyl]-4-(1-methylcyclopropyl)-4-oxobutyl]-5-[4-(2-cyclopropyltriazol-4-yl)phenyl]-5-(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-cyclopropyl-4-oxopentyl]-5-[4-(2-cyclopropyltriazol-4-yl)phenyl]-5-(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-(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-(2,2-dimethylpropyl)imidazol-4-one;(5R)-2-amino-3-[(1R)-1-[4-chloro-3-[5-(difluoromethyl)-1,2,4-triazol-1-yl]phenyl]-4-(1-methylcyclopropyl)-4-oxobutyl]-5-[4-(2-cyclopropyltriazol-4-yl)phenyl]-5-(2,2-dimethylpropyl)imidazol-4-one (PubChem CID 158208491) has the molecular formula C143H158Cl4F12N36O8 and a molecular weight of 2878.87 g/mol. Its IUPAC name is (5R)-2-amino-3-[(1R)-1-[4-chloro-3-[5-(difluoromethyl)-1,2,4-triazol-1-yl]phenyl]-5-cyclopropyl-4-oxopentyl]-5-[4-(2-cyclopropyltriazol-4-yl)phenyl]-5-(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-(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-(2,2-dimethylpropyl)imidazol-4-one;(5R)-2-amino-3-[(1R)-1-[4-chloro-3-[5-(difluoromethyl)-1,2,4-triazol-1-yl]phenyl]-4-(1-methylcyclopropyl)-4-oxobutyl]-5-[4-(2-cyclopropyltriazol-4-yl)phenyl]-5-(2,2-dimethylpropyl)imidazol-4-one.

Molecular Properties

Compound Name(5R)-2-amino-3-[(1R)-1-[4-chloro-3-[5-(difluoromethyl)-1,2,4-triazol-1-yl]phenyl]-5-cyclopropyl-4-oxopentyl]-5-[4-(2-cyclopropyltriazol-4-yl)phenyl]-5-(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-(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-(2,2-dimethylpropyl)imidazol-4-one;(5R)-2-amino-3-[(1R)-1-[4-chloro-3-[5-(difluoromethyl)-1,2,4-triazol-1-yl]phenyl]-4-(1-methylcyclopropyl)-4-oxobutyl]-5-[4-(2-cyclopropyltriazol-4-yl)phenyl]-5-(2,2-dimethylpropyl)imidazol-4-one
PubChem CID158208491
Molecular FormulaC143H158Cl4F12N36O8
Molecular Weight2878.87 g/mol
Exact Mass2875.16
IUPAC Name(5R)-2-amino-3-[(1R)-1-[4-chloro-3-[5-(difluoromethyl)-1,2,4-triazol-1-yl]phenyl]-5-cyclopropyl-4-oxopentyl]-5-[4-(2-cyclopropyltriazol-4-yl)phenyl]-5-(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-(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-(2,2-dimethylpropyl)imidazol-4-one;(5R)-2-amino-3-[(1R)-1-[4-chloro-3-[5-(difluoromethyl)-1,2,4-triazol-1-yl]phenyl]-4-(1-methylcyclopropyl)-4-oxobutyl]-5-[4-(2-cyclopropyltriazol-4-yl)phenyl]-5-(2,2-dimethylpropyl)imidazol-4-one
SMILESCC(C)(C)C[C@]1(c2ccc(-c3cnn(C4CC4)n3)cc2)N=C(N)N([C@H](CCC(=O)C2(C)CC2)c2ccc(Cl)c(-n3ncnc3C(F)F)c2)C1=O.CC(C)(C)C[C@]1(c2ccc(-c3cnn(C4CC4)n3)cc2)N=C(N)N([C@H](CCC(=O)CC(C)(F)F)c2ccc(Cl)c(-n3ncnc3C(F)F)c2)C1=O.CC(C)(C)C[C@]1(c2ccc(-c3cnn(C4CC4)n3)cc2)N=C(N)N([C@H](CCC(=O)CC2CC2)c2ccc(Cl)c(-n3ncnc3C(F)F)c2)C1=O.C[C@H](C(=O)CC[C@H](c1ccc(Cl)c(-n2ncnc2C(F)F)c1)N1C(=O)[C@@](CC(C)(C)C)(c2ccc(-c3cnn(C4CC4)n3)cc2)N=C1N)C(C)(F)F
InChIInChI=1S/C36H40ClF4N9O2.2C36H40ClF2N9O2.C35H38ClF4N9O2/c1-20(35(5,40)41)29(51)15-14-27(22-8-13-25(37)28(16-22)49-31(30(38)39)43-19-45-49)48-32(52)36(46-33(48)42,18-34(2,3)4)23-9-6-21(7-10-23)26-17-44-50(47-26)24-11-12-24;1-34(2,3)19-36(23-8-5-21(6-9-23)26-18-42-48(45-26)24-10-11-24)32(50)46(33(40)44-36)27(13-14-29(49)35(4)15-16-35)22-7-12-25(37)28(17-22)47-31(30(38)39)41-20-43-47;1-35(2,3)19-36(24-9-6-22(7-10-24)28-18-42-48(45-28)25-11-12-25)33(50)46(34(40)44-36)29(15-13-26(49)16-21-4-5-21)23-8-14-27(37)30(17-23)47-32(31(38)39)41-20-43-47;1-33(2,3)18-35(22-8-5-20(6-9-22)26-17-43-49(46-26)23-10-11-23)31(51)47(32(41)45-35)27(14-12-24(50)16-34(4,39)40)21-7-13-25(36)28(15-21)48-30(29(37)38)42-19-44-48/h6-10,13,16-17,19-20,24,27,30H,11-12,14-15,18H2,1-5H3,(H2,42,46);5-9,12,17-18,20,24,27,30H,10-11,13-16,19H2,1-4H3,(H2,40,44);6-10,14,17-18,20-21,25,29,31H,4-5,11-13,15-16,19H2,1-3H3,(H2,40,44);5-9,13,15,17,19,23,27,29H,10-12,14,16,18H2,1-4H3,(H2,41,45)/t20-,27-,36-;27-,36-;29-,36-;27-,35-/m1111/s1
InChIKeyGBTXNXGCLVMCRC-SFEOSNCYSA-N
XLogP29.26
TPSA548.72 Ų
H-Bond Donors4
H-Bond Acceptors40
Rotatable Bonds51
Heavy Atoms203
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002878.87
LogP ≤ 529.26
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1040

Analyze (5R)-2-amino-3-[(1R)-1-[4-chloro-3-[5-(difluoromethyl)-1,2,4-triazol-1-yl]phenyl]-5-cyclopropyl-4-oxopentyl]-5-[4-(2-cyclopropyltriazol-4-yl)phenyl]-5-(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-(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-(2,2-dimethylpropyl)imidazol-4-one;(5R)-2-amino-3-[(1R)-1-[4-chloro-3-[5-(difluoromethyl)-1,2,4-triazol-1-yl]phenyl]-4-(1-methylcyclopropyl)-4-oxobutyl]-5-[4-(2-cyclopropyltriazol-4-yl)phenyl]-5-(2,2-dimethylpropyl)imidazol-4-one with MolForge

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Launch Full Analysis

Related Compounds

cyclopropyl 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 138552205
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]-2-methylpropanamide
CID 138552447
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]-3,3,3-trifluoropropanamide
CID 138552448
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-trifluoropropanamide
CID 138552579
(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
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]cyclopropanecarboxamide
CID 139304801
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]-2-cyclopropylacetamide
CID 139304864
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]-1-methylcyclopropane-1-carboxamide
CID 139304893
(2R)-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]-3,3,3-trifluoro-2-methylpropanamide
CID 139305328
(2S)-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]-3,3,3-trifluoro-2-methylpropanamide
CID 139305450
(2S)-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 139305451
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

Frequently Asked Questions

What is the IUPAC name of (5R)-2-amino-3-[(1R)-1-[4-chloro-3-[5-(difluoromethyl)-1,2,4-triazol-1-yl]phenyl]-5-cyclopropyl-4-oxopentyl]-5-[4-(2-cyclopropyltriazol-4-yl)phenyl]-5-(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-(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-(2,2-dimethylpropyl)imidazol-4-one;(5R)-2-amino-3-[(1R)-1-[4-chloro-3-[5-(difluoromethyl)-1,2,4-triazol-1-yl]phenyl]-4-(1-methylcyclopropyl)-4-oxobutyl]-5-[4-(2-cyclopropyltriazol-4-yl)phenyl]-5-(2,2-dimethylpropyl)imidazol-4-one?
The IUPAC name of (5R)-2-amino-3-[(1R)-1-[4-chloro-3-[5-(difluoromethyl)-1,2,4-triazol-1-yl]phenyl]-5-cyclopropyl-4-oxopentyl]-5-[4-(2-cyclopropyltriazol-4-yl)phenyl]-5-(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-(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-(2,2-dimethylpropyl)imidazol-4-one;(5R)-2-amino-3-[(1R)-1-[4-chloro-3-[5-(difluoromethyl)-1,2,4-triazol-1-yl]phenyl]-4-(1-methylcyclopropyl)-4-oxobutyl]-5-[4-(2-cyclopropyltriazol-4-yl)phenyl]-5-(2,2-dimethylpropyl)imidazol-4-one (CID 158208491) is (5R)-2-amino-3-[(1R)-1-[4-chloro-3-[5-(difluoromethyl)-1,2,4-triazol-1-yl]phenyl]-5-cyclopropyl-4-oxopentyl]-5-[4-(2-cyclopropyltriazol-4-yl)phenyl]-5-(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-(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-(2,2-dimethylpropyl)imidazol-4-one;(5R)-2-amino-3-[(1R)-1-[4-chloro-3-[5-(difluoromethyl)-1,2,4-triazol-1-yl]phenyl]-4-(1-methylcyclopropyl)-4-oxobutyl]-5-[4-(2-cyclopropyltriazol-4-yl)phenyl]-5-(2,2-dimethylpropyl)imidazol-4-one.
What is the SMILES notation for (5R)-2-amino-3-[(1R)-1-[4-chloro-3-[5-(difluoromethyl)-1,2,4-triazol-1-yl]phenyl]-5-cyclopropyl-4-oxopentyl]-5-[4-(2-cyclopropyltriazol-4-yl)phenyl]-5-(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-(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-(2,2-dimethylpropyl)imidazol-4-one;(5R)-2-amino-3-[(1R)-1-[4-chloro-3-[5-(difluoromethyl)-1,2,4-triazol-1-yl]phenyl]-4-(1-methylcyclopropyl)-4-oxobutyl]-5-[4-(2-cyclopropyltriazol-4-yl)phenyl]-5-(2,2-dimethylpropyl)imidazol-4-one?
The canonical SMILES for (5R)-2-amino-3-[(1R)-1-[4-chloro-3-[5-(difluoromethyl)-1,2,4-triazol-1-yl]phenyl]-5-cyclopropyl-4-oxopentyl]-5-[4-(2-cyclopropyltriazol-4-yl)phenyl]-5-(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-(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-(2,2-dimethylpropyl)imidazol-4-one;(5R)-2-amino-3-[(1R)-1-[4-chloro-3-[5-(difluoromethyl)-1,2,4-triazol-1-yl]phenyl]-4-(1-methylcyclopropyl)-4-oxobutyl]-5-[4-(2-cyclopropyltriazol-4-yl)phenyl]-5-(2,2-dimethylpropyl)imidazol-4-one is CC(C)(C)C[C@]1(c2ccc(-c3cnn(C4CC4)n3)cc2)N=C(N)N([C@H](CCC(=O)C2(C)CC2)c2ccc(Cl)c(-n3ncnc3C(F)F)c2)C1=O.CC(C)(C)C[C@]1(c2ccc(-c3cnn(C4CC4)n3)cc2)N=C(N)N([C@H](CCC(=O)CC(C)(F)F)c2ccc(Cl)c(-n3ncnc3C(F)F)c2)C1=O.CC(C)(C)C[C@]1(c2ccc(-c3cnn(C4CC4)n3)cc2)N=C(N)N([C@H](CCC(=O)CC2CC2)c2ccc(Cl)c(-n3ncnc3C(F)F)c2)C1=O.C[C@H](C(=O)CC[C@H](c1ccc(Cl)c(-n2ncnc2C(F)F)c1)N1C(=O)[C@@](CC(C)(C)C)(c2ccc(-c3cnn(C4CC4)n3)cc2)N=C1N)C(C)(F)F.
What is the InChIKey of (5R)-2-amino-3-[(1R)-1-[4-chloro-3-[5-(difluoromethyl)-1,2,4-triazol-1-yl]phenyl]-5-cyclopropyl-4-oxopentyl]-5-[4-(2-cyclopropyltriazol-4-yl)phenyl]-5-(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-(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-(2,2-dimethylpropyl)imidazol-4-one;(5R)-2-amino-3-[(1R)-1-[4-chloro-3-[5-(difluoromethyl)-1,2,4-triazol-1-yl]phenyl]-4-(1-methylcyclopropyl)-4-oxobutyl]-5-[4-(2-cyclopropyltriazol-4-yl)phenyl]-5-(2,2-dimethylpropyl)imidazol-4-one?
The InChIKey is GBTXNXGCLVMCRC-SFEOSNCYSA-N. The full InChI is InChI=1S/C36H40ClF4N9O2.2C36H40ClF2N9O2.C35H38ClF4N9O2/c1-20(35(5,40)41)29(51)15-14-27(22-8-13-25(37)28(16-22)49-31(30(38)39)43-19-45-49)48-32(52)36(46-33(48)42,18-34(2,3)4)23-9-6-21(7-10-23)26-17-44-50(47-26)24-11-12-24;1-34(2,3)19-36(23-8-5-21(6-9-23)26-18-42-48(45-26)24-10-11-24)32(50)46(33(40)44-36)27(13-14-29(49)35(4)15-16-35)22-7-12-25(37)28(17-22)47-31(30(38)39)41-20-43-47;1-35(2,3)19-36(24-9-6-22(7-10-24)28-18-42-48(45-28)25-11-12-25)33(50)46(34(40)44-36)29(15-13-26(49)16-21-4-5-21)23-8-14-27(37)30(17-23)47-32(31(38)39)41-20-43-47;1-33(2,3)18-35(22-8-5-20(6-9-22)26-17-43-49(46-26)23-10-11-23)31(51)47(32(41)45-35)27(14-12-24(50)16-34(4,39)40)21-7-13-25(36)28(15-21)48-30(29(37)38)42-19-44-48/h6-10,13,16-17,19-20,24,27,30H,11-12,14-15,18H2,1-5H3,(H2,42,46);5-9,12,17-18,20,24,27,30H,10-11,13-16,19H2,1-4H3,(H2,40,44);6-10,14,17-18,20-21,25,29,31H,4-5,11-13,15-16,19H2,1-3H3,(H2,40,44);5-9,13,15,17,19,23,27,29H,10-12,14,16,18H2,1-4H3,(H2,41,45)/t20-,27-,36-;27-,36-;29-,36-;27-,35-/m1111/s1.
What are the key properties of (5R)-2-amino-3-[(1R)-1-[4-chloro-3-[5-(difluoromethyl)-1,2,4-triazol-1-yl]phenyl]-5-cyclopropyl-4-oxopentyl]-5-[4-(2-cyclopropyltriazol-4-yl)phenyl]-5-(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-(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-(2,2-dimethylpropyl)imidazol-4-one;(5R)-2-amino-3-[(1R)-1-[4-chloro-3-[5-(difluoromethyl)-1,2,4-triazol-1-yl]phenyl]-4-(1-methylcyclopropyl)-4-oxobutyl]-5-[4-(2-cyclopropyltriazol-4-yl)phenyl]-5-(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-cyclopropyl-4-oxopentyl]-5-[4-(2-cyclopropyltriazol-4-yl)phenyl]-5-(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-(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-(2,2-dimethylpropyl)imidazol-4-one;(5R)-2-amino-3-[(1R)-1-[4-chloro-3-[5-(difluoromethyl)-1,2,4-triazol-1-yl]phenyl]-4-(1-methylcyclopropyl)-4-oxobutyl]-5-[4-(2-cyclopropyltriazol-4-yl)phenyl]-5-(2,2-dimethylpropyl)imidazol-4-one has a molecular weight of 2878.87 g/mol, XLogP of 29.26, 51 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)-1-[4-chloro-3-[5-(difluoromethyl)-1,2,4-triazol-1-yl]phenyl]-5-cyclopropyl-4-oxopentyl]-5-[4-(2-cyclopropyltriazol-4-yl)phenyl]-5-(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-(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-(2,2-dimethylpropyl)imidazol-4-one;(5R)-2-amino-3-[(1R)-1-[4-chloro-3-[5-(difluoromethyl)-1,2,4-triazol-1-yl]phenyl]-4-(1-methylcyclopropyl)-4-oxobutyl]-5-[4-(2-cyclopropyltriazol-4-yl)phenyl]-5-(2,2-dimethylpropyl)imidazol-4-one is sourced from PubChem (CID 158208491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).