[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;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;2-(2-fluoroethoxy)-N-[(1S)-1-[5-[4-[4-[2-[(1S)-1-[[2-(2-fluoroethoxy)-2-methyl-3-phenylmethoxypropanoyl]amino]-2,2-dimethylpropyl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-2,2-dimethylpropyl]-2-methyl-3-phenylmethoxypropanamide

C184H227F11N26O17 — CID 158829598

IUPAC[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;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;2-(2-fluoroethoxy)-N-[(1S)-1-[5-[4-[4-[2-[(1S)-1-[[2-(2-fluoroethoxy)-2-methyl-3-phenylmethoxypropanoyl]amino]-2,2-dimethylpropyl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-2,2-dimethylpropyl]-2-methyl-3-phenylmethoxypropanamide
SMILESC=C(N[C@H](c1ncc(-c2ccc(-c3ccc(-c4cnc([C@@H](NC(=O)C(C)(CO)OCCF)C(C)(C)C)[nH]4)cc3)cc2)[nH]1)C(C)(C)C)C(C)(CO)OCCF.CC(COCc1ccccc1)(OCCF)C(=O)N[C@H](c1ncc(-c2ccc(-c3ccc(-c4cnc([C@@H](NC(=O)C(C)(COCc5ccccc5)OCCF)C(C)(C)C)[nH]4)cc3)cc2)[nH]1)C(C)(C)C.CC1(C)CCN(C(=O)C2CCC(F)(F)CC2)C1c1ncc(-c2ccc(-c3ccc(-c4cnc(C5N(C(=O)C6CCC(F)(F)CC6)CCC5(C)C)[nH]4)cc3)cc2)[nH]1.CC1(F)CCN(C(=O)C(=O)N2CCC(C)(C)C2c2ncc(-c3ccc(-c4ccc(-c5cnc(C6N(C(=O)C(=O)N7CCC(F)(F)CC7)CCC6(C)C)[nH]5)cc4)cc3)[nH]2)CC1
InChIInChI=1S/C54H66F2N6O6.C45H53F3N8O4.C44H52F4N6O2.C41H56F2N6O5/c1-51(2,3)45(61-49(63)53(7,67-29-27-55)35-65-33-37-15-11-9-12-16-37)47-57-31-43(59-47)41-23-19-39(20-24-41)40-21-25-42(26-22-40)44-32-58-48(60-44)46(52(4,5)6)62-50(64)54(8,68-30-28-56)36-66-34-38-17-13-10-14-18-38;1-42(2)14-24-55(40(59)38(57)53-20-16-44(5,46)17-21-53)34(42)36-49-26-32(51-36)30-10-6-28(7-11-30)29-8-12-31(13-9-29)33-27-50-37(52-33)35-43(3,4)15-25-56(35)41(60)39(58)54-22-18-45(47,48)19-23-54;1-41(2)21-23-53(39(55)31-13-17-43(45,46)18-14-31)35(41)37-49-25-33(51-37)29-9-5-27(6-10-29)28-7-11-30(12-8-28)34-26-50-38(52-34)36-42(3,4)22-24-54(36)40(56)32-15-19-44(47,48)20-16-32;1-26(40(8,24-50)53-20-18-42)46-33(38(2,3)4)35-44-22-31(47-35)29-14-10-27(11-15-29)28-12-16-30(17-13-28)32-23-45-36(48-32)34(39(5,6)7)49-37(52)41(9,25-51)54-21-19-43/h9-26,31-32,45-46H,27-30,33-36H2,1-8H3,(H,57,59)(H,58,60)(H,61,63)(H,62,64);6-13,26-27,34-35H,14-25H2,1-5H3,(H,49,51)(H,50,52);5-12,25-26,31-32,35-36H,13-24H2,1-4H3,(H,49,51)(H,50,52);10-17,22-23,33-34,46,50-51H,1,18-21,24-25H2,2-9H3,(H,44,47)(H,45,48)(H,49,52)/t45-,46-,53?,54?;;;33-,34-,40?,41?/m1..1/s1
InChIKeyIWWMKBKUWUHCDI-LCFWCZEASA-N
MW3283.98 g/mol
LogP35.19
Rot. Bonds53

About [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;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;2-(2-fluoroethoxy)-N-[(1S)-1-[5-[4-[4-[2-[(1S)-1-[[2-(2-fluoroethoxy)-2-methyl-3-phenylmethoxypropanoyl]amino]-2,2-dimethylpropyl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-2,2-dimethylpropyl]-2-methyl-3-phenylmethoxypropanamide

[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;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;2-(2-fluoroethoxy)-N-[(1S)-1-[5-[4-[4-[2-[(1S)-1-[[2-(2-fluoroethoxy)-2-methyl-3-phenylmethoxypropanoyl]amino]-2,2-dimethylpropyl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-2,2-dimethylpropyl]-2-methyl-3-phenylmethoxypropanamide (PubChem CID 158829598) has the molecular formula C184H227F11N26O17 and a molecular weight of 3283.98 g/mol. Its IUPAC name is [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;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;2-(2-fluoroethoxy)-N-[(1S)-1-[5-[4-[4-[2-[(1S)-1-[[2-(2-fluoroethoxy)-2-methyl-3-phenylmethoxypropanoyl]amino]-2,2-dimethylpropyl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-2,2-dimethylpropyl]-2-methyl-3-phenylmethoxypropanamide.

Molecular Properties

Compound Name[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;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;2-(2-fluoroethoxy)-N-[(1S)-1-[5-[4-[4-[2-[(1S)-1-[[2-(2-fluoroethoxy)-2-methyl-3-phenylmethoxypropanoyl]amino]-2,2-dimethylpropyl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-2,2-dimethylpropyl]-2-methyl-3-phenylmethoxypropanamide
PubChem CID158829598
Molecular FormulaC184H227F11N26O17
Molecular Weight3283.98 g/mol
Exact Mass3281.75
IUPAC Name[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;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;2-(2-fluoroethoxy)-N-[(1S)-1-[5-[4-[4-[2-[(1S)-1-[[2-(2-fluoroethoxy)-2-methyl-3-phenylmethoxypropanoyl]amino]-2,2-dimethylpropyl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-2,2-dimethylpropyl]-2-methyl-3-phenylmethoxypropanamide
SMILESC=C(N[C@H](c1ncc(-c2ccc(-c3ccc(-c4cnc([C@@H](NC(=O)C(C)(CO)OCCF)C(C)(C)C)[nH]4)cc3)cc2)[nH]1)C(C)(C)C)C(C)(CO)OCCF.CC(COCc1ccccc1)(OCCF)C(=O)N[C@H](c1ncc(-c2ccc(-c3ccc(-c4cnc([C@@H](NC(=O)C(C)(COCc5ccccc5)OCCF)C(C)(C)C)[nH]4)cc3)cc2)[nH]1)C(C)(C)C.CC1(C)CCN(C(=O)C2CCC(F)(F)CC2)C1c1ncc(-c2ccc(-c3ccc(-c4cnc(C5N(C(=O)C6CCC(F)(F)CC6)CCC5(C)C)[nH]4)cc3)cc2)[nH]1.CC1(F)CCN(C(=O)C(=O)N2CCC(C)(C)C2c2ncc(-c3ccc(-c4ccc(-c5cnc(C6N(C(=O)C(=O)N7CCC(F)(F)CC7)CCC6(C)C)[nH]5)cc4)cc3)[nH]2)CC1
InChIInChI=1S/C54H66F2N6O6.C45H53F3N8O4.C44H52F4N6O2.C41H56F2N6O5/c1-51(2,3)45(61-49(63)53(7,67-29-27-55)35-65-33-37-15-11-9-12-16-37)47-57-31-43(59-47)41-23-19-39(20-24-41)40-21-25-42(26-22-40)44-32-58-48(60-44)46(52(4,5)6)62-50(64)54(8,68-30-28-56)36-66-34-38-17-13-10-14-18-38;1-42(2)14-24-55(40(59)38(57)53-20-16-44(5,46)17-21-53)34(42)36-49-26-32(51-36)30-10-6-28(7-11-30)29-8-12-31(13-9-29)33-27-50-37(52-33)35-43(3,4)15-25-56(35)41(60)39(58)54-22-18-45(47,48)19-23-54;1-41(2)21-23-53(39(55)31-13-17-43(45,46)18-14-31)35(41)37-49-25-33(51-37)29-9-5-27(6-10-29)28-7-11-30(12-8-28)34-26-50-38(52-34)36-42(3,4)22-24-54(36)40(56)32-15-19-44(47,48)20-16-32;1-26(40(8,24-50)53-20-18-42)46-33(38(2,3)4)35-44-22-31(47-35)29-14-10-27(11-15-29)28-12-16-30(17-13-28)32-23-45-36(48-32)34(39(5,6)7)49-37(52)41(9,25-51)54-21-19-43/h9-26,31-32,45-46H,27-30,33-36H2,1-8H3,(H,57,59)(H,58,60)(H,61,63)(H,62,64);6-13,26-27,34-35H,14-25H2,1-5H3,(H,49,51)(H,50,52);5-12,25-26,31-32,35-36H,13-24H2,1-4H3,(H,49,51)(H,50,52);10-17,22-23,33-34,46,50-51H,1,18-21,24-25H2,2-9H3,(H,44,47)(H,45,48)(H,49,52)/t45-,46-,53?,54?;;;33-,34-,40?,41?/m1..1/s1
InChIKeyIWWMKBKUWUHCDI-LCFWCZEASA-N
XLogP35.19
TPSA546.47 Ų
H-Bond Donors14
H-Bond Acceptors26
Rotatable Bonds53
Heavy Atoms238
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003283.98
LogP ≤ 535.19
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1026

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze [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;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;2-(2-fluoroethoxy)-N-[(1S)-1-[5-[4-[4-[2-[(1S)-1-[[2-(2-fluoroethoxy)-2-methyl-3-phenylmethoxypropanoyl]amino]-2,2-dimethylpropyl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-2,2-dimethylpropyl]-2-methyl-3-phenylmethoxypropanamide with MolForge

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Related Compounds

benzyl (3R)-3-[4-[4-[4-[2-[(2S)-1-[(2R)-2-(dimethylamino)-2-phenylacetyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-5-(trifluoromethyl)-3H-pyrrol-2-yl]-1,7-dioxa-4-azaspiro[4.4]nonane-4-carboxylate
CID 58432520
(2R)-1-[(2S)-2-[5-[4-[4-[2-[(2S)-1-[(2R)-2-(dimethylamino)-2-(2-fluorophenyl)acetyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-methoxy-2-phenylethanone
CID 59668863
methyl-[(1R)-2-oxo-1-phenyl-2-[(2S)-2-[5-[4-[4-[2-[(2S)-1-[(2S)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]ethyl]carbamic acid
CID 67146131
methyl-[(1R)-2-oxo-1-phenyl-2-[(2S)-2-[5-[4-[4-[2-[1-[(2S)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]ethyl]carbamic acid
CID 67146133
methyl N-[2-[2-[5-[2-[4-[2-[(2S)-1-[(2R)-2-carbamoyloxy-2-phenylpropanoyl]pyrrolidin-2-yl]-5-(trifluoromethyl)-1H-imidazol-4-yl]phenyl]pyrimidin-5-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]carbamate
CID 67462062
methyl N-[(1R)-2-[(2S)-2-[5-[2-[4-[2-[(2S)-1-[(2R)-2-carbamoyloxy-2-phenylpropanoyl]pyrrolidin-2-yl]-5-(trifluoromethyl)-1H-imidazol-4-yl]phenyl]pyrimidin-5-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]carbamate
CID 67462064
methyl N-[2-[2-[5-[4-[4-[2-[(2S)-1-[(2R)-2-carbamoyloxy-2-phenylpropanoyl]pyrrolidin-2-yl]-5-(trifluoromethyl)-1H-imidazol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]carbamate
CID 67467480
methyl N-[(1R)-2-[(2S)-2-[5-[4-[4-[2-[(2S)-1-[(2R)-2-carbamoyloxy-2-phenylpropanoyl]pyrrolidin-2-yl]-5-(trifluoromethyl)-1H-imidazol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]carbamate
CID 67467481
benzyl (3R)-3-[4-[4-[4-[2-[(2S)-1-[(2R)-2-(dimethylamino)-2-phenylacetyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-5-(trifluoromethyl)-1H-imidazol-2-yl]-1,7-dioxa-4-azaspiro[4.4]nonane-4-carboxylate
CID 68236060
methyl N-[(1R)-2-[(2S)-2-[5-[2-[4-[2-[(2S)-1-[(2R)-2-carbamoyloxy-2-phenylacetyl]pyrrolidin-2-yl]-5-(trifluoromethyl)-1H-imidazol-4-yl]phenyl]pyrimidin-5-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]carbamate
CID 68459375
[(1R)-2-oxo-1-phenyl-2-[(2S)-2-[5-[4-[4-[2-[(2S)-1-[(2S)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]ethyl]carbamic acid
CID 68608297
[(1R)-2-oxo-1-phenyl-2-[(2S)-2-[5-[4-[4-[2-[1-[(2S)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]ethyl]carbamic acid
CID 68608305

Frequently Asked Questions

What is the IUPAC name of [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;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;2-(2-fluoroethoxy)-N-[(1S)-1-[5-[4-[4-[2-[(1S)-1-[[2-(2-fluoroethoxy)-2-methyl-3-phenylmethoxypropanoyl]amino]-2,2-dimethylpropyl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-2,2-dimethylpropyl]-2-methyl-3-phenylmethoxypropanamide?
The IUPAC name of [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;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;2-(2-fluoroethoxy)-N-[(1S)-1-[5-[4-[4-[2-[(1S)-1-[[2-(2-fluoroethoxy)-2-methyl-3-phenylmethoxypropanoyl]amino]-2,2-dimethylpropyl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-2,2-dimethylpropyl]-2-methyl-3-phenylmethoxypropanamide (CID 158829598) is [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;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;2-(2-fluoroethoxy)-N-[(1S)-1-[5-[4-[4-[2-[(1S)-1-[[2-(2-fluoroethoxy)-2-methyl-3-phenylmethoxypropanoyl]amino]-2,2-dimethylpropyl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-2,2-dimethylpropyl]-2-methyl-3-phenylmethoxypropanamide.
What is the SMILES notation for [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;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;2-(2-fluoroethoxy)-N-[(1S)-1-[5-[4-[4-[2-[(1S)-1-[[2-(2-fluoroethoxy)-2-methyl-3-phenylmethoxypropanoyl]amino]-2,2-dimethylpropyl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-2,2-dimethylpropyl]-2-methyl-3-phenylmethoxypropanamide?
The canonical SMILES for [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;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;2-(2-fluoroethoxy)-N-[(1S)-1-[5-[4-[4-[2-[(1S)-1-[[2-(2-fluoroethoxy)-2-methyl-3-phenylmethoxypropanoyl]amino]-2,2-dimethylpropyl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-2,2-dimethylpropyl]-2-methyl-3-phenylmethoxypropanamide is C=C(N[C@H](c1ncc(-c2ccc(-c3ccc(-c4cnc([C@@H](NC(=O)C(C)(CO)OCCF)C(C)(C)C)[nH]4)cc3)cc2)[nH]1)C(C)(C)C)C(C)(CO)OCCF.CC(COCc1ccccc1)(OCCF)C(=O)N[C@H](c1ncc(-c2ccc(-c3ccc(-c4cnc([C@@H](NC(=O)C(C)(COCc5ccccc5)OCCF)C(C)(C)C)[nH]4)cc3)cc2)[nH]1)C(C)(C)C.CC1(C)CCN(C(=O)C2CCC(F)(F)CC2)C1c1ncc(-c2ccc(-c3ccc(-c4cnc(C5N(C(=O)C6CCC(F)(F)CC6)CCC5(C)C)[nH]4)cc3)cc2)[nH]1.CC1(F)CCN(C(=O)C(=O)N2CCC(C)(C)C2c2ncc(-c3ccc(-c4ccc(-c5cnc(C6N(C(=O)C(=O)N7CCC(F)(F)CC7)CCC6(C)C)[nH]5)cc4)cc3)[nH]2)CC1.
What is the InChIKey of [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;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;2-(2-fluoroethoxy)-N-[(1S)-1-[5-[4-[4-[2-[(1S)-1-[[2-(2-fluoroethoxy)-2-methyl-3-phenylmethoxypropanoyl]amino]-2,2-dimethylpropyl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-2,2-dimethylpropyl]-2-methyl-3-phenylmethoxypropanamide?
The InChIKey is IWWMKBKUWUHCDI-LCFWCZEASA-N. The full InChI is InChI=1S/C54H66F2N6O6.C45H53F3N8O4.C44H52F4N6O2.C41H56F2N6O5/c1-51(2,3)45(61-49(63)53(7,67-29-27-55)35-65-33-37-15-11-9-12-16-37)47-57-31-43(59-47)41-23-19-39(20-24-41)40-21-25-42(26-22-40)44-32-58-48(60-44)46(52(4,5)6)62-50(64)54(8,68-30-28-56)36-66-34-38-17-13-10-14-18-38;1-42(2)14-24-55(40(59)38(57)53-20-16-44(5,46)17-21-53)34(42)36-49-26-32(51-36)30-10-6-28(7-11-30)29-8-12-31(13-9-29)33-27-50-37(52-33)35-43(3,4)15-25-56(35)41(60)39(58)54-22-18-45(47,48)19-23-54;1-41(2)21-23-53(39(55)31-13-17-43(45,46)18-14-31)35(41)37-49-25-33(51-37)29-9-5-27(6-10-29)28-7-11-30(12-8-28)34-26-50-38(52-34)36-42(3,4)22-24-54(36)40(56)32-15-19-44(47,48)20-16-32;1-26(40(8,24-50)53-20-18-42)46-33(38(2,3)4)35-44-22-31(47-35)29-14-10-27(11-15-29)28-12-16-30(17-13-28)32-23-45-36(48-32)34(39(5,6)7)49-37(52)41(9,25-51)54-21-19-43/h9-26,31-32,45-46H,27-30,33-36H2,1-8H3,(H,57,59)(H,58,60)(H,61,63)(H,62,64);6-13,26-27,34-35H,14-25H2,1-5H3,(H,49,51)(H,50,52);5-12,25-26,31-32,35-36H,13-24H2,1-4H3,(H,49,51)(H,50,52);10-17,22-23,33-34,46,50-51H,1,18-21,24-25H2,2-9H3,(H,44,47)(H,45,48)(H,49,52)/t45-,46-,53?,54?;;;33-,34-,40?,41?/m1..1/s1.
What are the key properties of [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;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;2-(2-fluoroethoxy)-N-[(1S)-1-[5-[4-[4-[2-[(1S)-1-[[2-(2-fluoroethoxy)-2-methyl-3-phenylmethoxypropanoyl]amino]-2,2-dimethylpropyl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-2,2-dimethylpropyl]-2-methyl-3-phenylmethoxypropanamide?
[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;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;2-(2-fluoroethoxy)-N-[(1S)-1-[5-[4-[4-[2-[(1S)-1-[[2-(2-fluoroethoxy)-2-methyl-3-phenylmethoxypropanoyl]amino]-2,2-dimethylpropyl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-2,2-dimethylpropyl]-2-methyl-3-phenylmethoxypropanamide has a molecular weight of 3283.98 g/mol, XLogP of 35.19, 53 rotatable bonds, 14 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for [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;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;2-(2-fluoroethoxy)-N-[(1S)-1-[5-[4-[4-[2-[(1S)-1-[[2-(2-fluoroethoxy)-2-methyl-3-phenylmethoxypropanoyl]amino]-2,2-dimethylpropyl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-2,2-dimethylpropyl]-2-methyl-3-phenylmethoxypropanamide is sourced from PubChem (CID 158829598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).