N-[(3S,6R)-1-(azepan-1-yl)-6-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-1,4-dioxoheptan-3-yl]-4-methylpentanamide;N-[(3S,6R)-6-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-1-methylimidazole-4-carboxamide;N-[(3S,6R)-6-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-1-[(3S)-3-methylmorpholin-4-yl]-1,4-dioxoheptan-3-yl]-4-methylpentanamide;N-[(3S,6R)-6-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-1-[(2R)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-4-methylpentanamide;N-[(3S,6R)-6-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-4-methylpentanamide;N-[(3S,6R)-6-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-1-[(2S)-2-methylpyrrolidin-1-yl]-1,4-dioxoheptan-3-yl]-4,4-dimethylpentanamide

C171H235F7N26O19 — CID 159878445

IUPACN-[(3S,6R)-1-(azepan-1-yl)-6-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-1,4-dioxoheptan-3-yl]-4-methylpentanamide;N-[(3S,6R)-6-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-1-methylimidazole-4-carboxamide;N-[(3S,6R)-6-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-1-[(3S)-3-methylmorpholin-4-yl]-1,4-dioxoheptan-3-yl]-4-methylpentanamide;N-[(3S,6R)-6-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-1-[(2R)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-4-methylpentanamide;N-[(3S,6R)-6-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-4-methylpentanamide;N-[(3S,6R)-6-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-1-[(2S)-2-methylpyrrolidin-1-yl]-1,4-dioxoheptan-3-yl]-4,4-dimethylpentanamide
SMILESC[C@H](CC(=O)[C@H](CC(=O)N1CCCC[C@@H]1C)NC(=O)c1cn(C)cn1)c1ncc(-c2ccc(F)cc2F)[nH]1.Cc1ccc(-c2cnc([C@H](C)CC(=O)[C@H](CC(=O)N3CCCCCC3)NC(=O)CCC(C)C)[nH]2)c(F)c1.Cc1ccc(-c2cnc([C@H](C)CC(=O)[C@H](CC(=O)N3CCCC[C@@H]3C)NC(=O)CCC(C)C)[nH]2)c(F)c1.Cc1ccc(-c2cnc([C@H](C)CC(=O)[C@H](CC(=O)N3CCCC[C@H]3C)NC(=O)CCC(C)C)[nH]2)c(F)c1.Cc1ccc(-c2cnc([C@H](C)CC(=O)[C@H](CC(=O)N3CCC[C@@H]3C)NC(=O)CCC(C)(C)C)[nH]2)c(F)c1.Cc1ccc(-c2cnc([C@H](C)CC(=O)[C@H](CC(=O)N3CCOC[C@@H]3C)NC(=O)CCC(C)C)[nH]2)c(F)c1
InChIInChI=1S/4C29H41FN4O3.C28H39FN4O4.C27H32F2N6O3/c1-18-9-10-21(22(30)14-18)24-17-31-28(33-24)19(2)15-25(35)23(32-26(36)11-12-29(4,5)6)16-27(37)34-13-7-8-20(34)3;2*1-18(2)9-12-27(36)32-24(16-28(37)34-13-7-6-8-21(34)5)26(35)15-20(4)29-31-17-25(33-29)22-11-10-19(3)14-23(22)30;1-19(2)9-12-27(36)32-24(17-28(37)34-13-7-5-6-8-14-34)26(35)16-21(4)29-31-18-25(33-29)22-11-10-20(3)15-23(22)30;1-17(2)6-9-26(35)31-23(14-27(36)33-10-11-37-16-20(33)5)25(34)13-19(4)28-30-15-24(32-28)21-8-7-18(3)12-22(21)29;1-16(26-30-13-22(32-26)19-8-7-18(28)11-20(19)29)10-24(36)21(33-27(38)23-14-34(3)15-31-23)12-25(37)35-9-5-4-6-17(35)2/h9-10,14,17,19-20,23H,7-8,11-13,15-16H2,1-6H3,(H,31,33)(H,32,36);2*10-11,14,17-18,20-21,24H,6-9,12-13,15-16H2,1-5H3,(H,31,33)(H,32,36);10-11,15,18-19,21,24H,5-9,12-14,16-17H2,1-4H3,(H,31,33)(H,32,36);7-8,12,15,17,19-20,23H,6,9-11,13-14,16H2,1-5H3,(H,30,32)(H,31,35);7-8,11,13-17,21H,4-6,9-10,12H2,1-3H3,(H,30,32)(H,33,38)/t19-,20+,23+;20-,21+,24+;20-,21-,24+;21-,24+;19-,20+,23+;16-,17+,21+/m111111/s1
InChIKeyNTFGZTBYPCCZQQ-GANJISAASA-N
MW3091.91 g/mol
LogP29.08
Rot. Bonds63

About N-[(3S,6R)-1-(azepan-1-yl)-6-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-1,4-dioxoheptan-3-yl]-4-methylpentanamide;N-[(3S,6R)-6-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-1-methylimidazole-4-carboxamide;N-[(3S,6R)-6-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-1-[(3S)-3-methylmorpholin-4-yl]-1,4-dioxoheptan-3-yl]-4-methylpentanamide;N-[(3S,6R)-6-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-1-[(2R)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-4-methylpentanamide;N-[(3S,6R)-6-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-4-methylpentanamide;N-[(3S,6R)-6-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-1-[(2S)-2-methylpyrrolidin-1-yl]-1,4-dioxoheptan-3-yl]-4,4-dimethylpentanamide

N-[(3S,6R)-1-(azepan-1-yl)-6-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-1,4-dioxoheptan-3-yl]-4-methylpentanamide;N-[(3S,6R)-6-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-1-methylimidazole-4-carboxamide;N-[(3S,6R)-6-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-1-[(3S)-3-methylmorpholin-4-yl]-1,4-dioxoheptan-3-yl]-4-methylpentanamide;N-[(3S,6R)-6-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-1-[(2R)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-4-methylpentanamide;N-[(3S,6R)-6-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-4-methylpentanamide;N-[(3S,6R)-6-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-1-[(2S)-2-methylpyrrolidin-1-yl]-1,4-dioxoheptan-3-yl]-4,4-dimethylpentanamide (PubChem CID 159878445) has the molecular formula C171H235F7N26O19 and a molecular weight of 3091.91 g/mol. Its IUPAC name is N-[(3S,6R)-1-(azepan-1-yl)-6-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-1,4-dioxoheptan-3-yl]-4-methylpentanamide;N-[(3S,6R)-6-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-1-methylimidazole-4-carboxamide;N-[(3S,6R)-6-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-1-[(3S)-3-methylmorpholin-4-yl]-1,4-dioxoheptan-3-yl]-4-methylpentanamide;N-[(3S,6R)-6-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-1-[(2R)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-4-methylpentanamide;N-[(3S,6R)-6-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-4-methylpentanamide;N-[(3S,6R)-6-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-1-[(2S)-2-methylpyrrolidin-1-yl]-1,4-dioxoheptan-3-yl]-4,4-dimethylpentanamide.

Molecular Properties

Compound NameN-[(3S,6R)-1-(azepan-1-yl)-6-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-1,4-dioxoheptan-3-yl]-4-methylpentanamide;N-[(3S,6R)-6-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-1-methylimidazole-4-carboxamide;N-[(3S,6R)-6-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-1-[(3S)-3-methylmorpholin-4-yl]-1,4-dioxoheptan-3-yl]-4-methylpentanamide;N-[(3S,6R)-6-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-1-[(2R)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-4-methylpentanamide;N-[(3S,6R)-6-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-4-methylpentanamide;N-[(3S,6R)-6-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-1-[(2S)-2-methylpyrrolidin-1-yl]-1,4-dioxoheptan-3-yl]-4,4-dimethylpentanamide
PubChem CID159878445
Molecular FormulaC171H235F7N26O19
Molecular Weight3091.91 g/mol
Exact Mass3089.81
IUPAC NameN-[(3S,6R)-1-(azepan-1-yl)-6-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-1,4-dioxoheptan-3-yl]-4-methylpentanamide;N-[(3S,6R)-6-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-1-methylimidazole-4-carboxamide;N-[(3S,6R)-6-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-1-[(3S)-3-methylmorpholin-4-yl]-1,4-dioxoheptan-3-yl]-4-methylpentanamide;N-[(3S,6R)-6-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-1-[(2R)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-4-methylpentanamide;N-[(3S,6R)-6-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-4-methylpentanamide;N-[(3S,6R)-6-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-1-[(2S)-2-methylpyrrolidin-1-yl]-1,4-dioxoheptan-3-yl]-4,4-dimethylpentanamide
SMILESC[C@H](CC(=O)[C@H](CC(=O)N1CCCC[C@@H]1C)NC(=O)c1cn(C)cn1)c1ncc(-c2ccc(F)cc2F)[nH]1.Cc1ccc(-c2cnc([C@H](C)CC(=O)[C@H](CC(=O)N3CCCCCC3)NC(=O)CCC(C)C)[nH]2)c(F)c1.Cc1ccc(-c2cnc([C@H](C)CC(=O)[C@H](CC(=O)N3CCCC[C@@H]3C)NC(=O)CCC(C)C)[nH]2)c(F)c1.Cc1ccc(-c2cnc([C@H](C)CC(=O)[C@H](CC(=O)N3CCCC[C@H]3C)NC(=O)CCC(C)C)[nH]2)c(F)c1.Cc1ccc(-c2cnc([C@H](C)CC(=O)[C@H](CC(=O)N3CCC[C@@H]3C)NC(=O)CCC(C)(C)C)[nH]2)c(F)c1.Cc1ccc(-c2cnc([C@H](C)CC(=O)[C@H](CC(=O)N3CCOC[C@@H]3C)NC(=O)CCC(C)C)[nH]2)c(F)c1
InChIInChI=1S/4C29H41FN4O3.C28H39FN4O4.C27H32F2N6O3/c1-18-9-10-21(22(30)14-18)24-17-31-28(33-24)19(2)15-25(35)23(32-26(36)11-12-29(4,5)6)16-27(37)34-13-7-8-20(34)3;2*1-18(2)9-12-27(36)32-24(16-28(37)34-13-7-6-8-21(34)5)26(35)15-20(4)29-31-17-25(33-29)22-11-10-19(3)14-23(22)30;1-19(2)9-12-27(36)32-24(17-28(37)34-13-7-5-6-8-14-34)26(35)16-21(4)29-31-18-25(33-29)22-11-10-20(3)15-23(22)30;1-17(2)6-9-26(35)31-23(14-27(36)33-10-11-37-16-20(33)5)25(34)13-19(4)28-30-15-24(32-28)21-8-7-18(3)12-22(21)29;1-16(26-30-13-22(32-26)19-8-7-18(28)11-20(19)29)10-24(36)21(33-27(38)23-14-34(3)15-31-23)12-25(37)35-9-5-4-6-17(35)2/h9-10,14,17,19-20,23H,7-8,11-13,15-16H2,1-6H3,(H,31,33)(H,32,36);2*10-11,14,17-18,20-21,24H,6-9,12-13,15-16H2,1-5H3,(H,31,33)(H,32,36);10-11,15,18-19,21,24H,5-9,12-14,16-17H2,1-4H3,(H,31,33)(H,32,36);7-8,12,15,17,19-20,23H,6,9-11,13-14,16H2,1-5H3,(H,30,32)(H,31,35);7-8,11,13-17,21H,4-6,9-10,12H2,1-3H3,(H,30,32)(H,33,38)/t19-,20+,23+;20-,21+,24+;20-,21-,24+;21-,24+;19-,20+,23+;16-,17+,21+/m111111/s1
InChIKeyNTFGZTBYPCCZQQ-GANJISAASA-N
XLogP29.08
TPSA598.01 Ų
H-Bond Donors12
H-Bond Acceptors27
Rotatable Bonds63
Heavy Atoms223
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003091.91
LogP ≤ 529.08
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1027

Analyze N-[(3S,6R)-1-(azepan-1-yl)-6-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-1,4-dioxoheptan-3-yl]-4-methylpentanamide;N-[(3S,6R)-6-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-1-methylimidazole-4-carboxamide;N-[(3S,6R)-6-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-1-[(3S)-3-methylmorpholin-4-yl]-1,4-dioxoheptan-3-yl]-4-methylpentanamide;N-[(3S,6R)-6-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-1-[(2R)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-4-methylpentanamide;N-[(3S,6R)-6-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-4-methylpentanamide;N-[(3S,6R)-6-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-1-[(2S)-2-methylpyrrolidin-1-yl]-1,4-dioxoheptan-3-yl]-4,4-dimethylpentanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(3S,6R)-1-(azepan-1-yl)-6-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-1,4-dioxoheptan-3-yl]-4-methylpentanamide;N-[(3S,6R)-6-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-1-methylimidazole-4-carboxamide;N-[(3S,6R)-6-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-1-[(3S)-3-methylmorpholin-4-yl]-1,4-dioxoheptan-3-yl]-4-methylpentanamide;N-[(3S,6R)-6-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-1-[(2R)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-4-methylpentanamide;N-[(3S,6R)-6-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-4-methylpentanamide;N-[(3S,6R)-6-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-1-[(2S)-2-methylpyrrolidin-1-yl]-1,4-dioxoheptan-3-yl]-4,4-dimethylpentanamide?
The IUPAC name of N-[(3S,6R)-1-(azepan-1-yl)-6-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-1,4-dioxoheptan-3-yl]-4-methylpentanamide;N-[(3S,6R)-6-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-1-methylimidazole-4-carboxamide;N-[(3S,6R)-6-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-1-[(3S)-3-methylmorpholin-4-yl]-1,4-dioxoheptan-3-yl]-4-methylpentanamide;N-[(3S,6R)-6-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-1-[(2R)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-4-methylpentanamide;N-[(3S,6R)-6-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-4-methylpentanamide;N-[(3S,6R)-6-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-1-[(2S)-2-methylpyrrolidin-1-yl]-1,4-dioxoheptan-3-yl]-4,4-dimethylpentanamide (CID 159878445) is N-[(3S,6R)-1-(azepan-1-yl)-6-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-1,4-dioxoheptan-3-yl]-4-methylpentanamide;N-[(3S,6R)-6-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-1-methylimidazole-4-carboxamide;N-[(3S,6R)-6-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-1-[(3S)-3-methylmorpholin-4-yl]-1,4-dioxoheptan-3-yl]-4-methylpentanamide;N-[(3S,6R)-6-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-1-[(2R)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-4-methylpentanamide;N-[(3S,6R)-6-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-4-methylpentanamide;N-[(3S,6R)-6-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-1-[(2S)-2-methylpyrrolidin-1-yl]-1,4-dioxoheptan-3-yl]-4,4-dimethylpentanamide.
What is the SMILES notation for N-[(3S,6R)-1-(azepan-1-yl)-6-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-1,4-dioxoheptan-3-yl]-4-methylpentanamide;N-[(3S,6R)-6-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-1-methylimidazole-4-carboxamide;N-[(3S,6R)-6-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-1-[(3S)-3-methylmorpholin-4-yl]-1,4-dioxoheptan-3-yl]-4-methylpentanamide;N-[(3S,6R)-6-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-1-[(2R)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-4-methylpentanamide;N-[(3S,6R)-6-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-4-methylpentanamide;N-[(3S,6R)-6-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-1-[(2S)-2-methylpyrrolidin-1-yl]-1,4-dioxoheptan-3-yl]-4,4-dimethylpentanamide?
The canonical SMILES for N-[(3S,6R)-1-(azepan-1-yl)-6-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-1,4-dioxoheptan-3-yl]-4-methylpentanamide;N-[(3S,6R)-6-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-1-methylimidazole-4-carboxamide;N-[(3S,6R)-6-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-1-[(3S)-3-methylmorpholin-4-yl]-1,4-dioxoheptan-3-yl]-4-methylpentanamide;N-[(3S,6R)-6-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-1-[(2R)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-4-methylpentanamide;N-[(3S,6R)-6-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-4-methylpentanamide;N-[(3S,6R)-6-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-1-[(2S)-2-methylpyrrolidin-1-yl]-1,4-dioxoheptan-3-yl]-4,4-dimethylpentanamide is C[C@H](CC(=O)[C@H](CC(=O)N1CCCC[C@@H]1C)NC(=O)c1cn(C)cn1)c1ncc(-c2ccc(F)cc2F)[nH]1.Cc1ccc(-c2cnc([C@H](C)CC(=O)[C@H](CC(=O)N3CCCCCC3)NC(=O)CCC(C)C)[nH]2)c(F)c1.Cc1ccc(-c2cnc([C@H](C)CC(=O)[C@H](CC(=O)N3CCCC[C@@H]3C)NC(=O)CCC(C)C)[nH]2)c(F)c1.Cc1ccc(-c2cnc([C@H](C)CC(=O)[C@H](CC(=O)N3CCCC[C@H]3C)NC(=O)CCC(C)C)[nH]2)c(F)c1.Cc1ccc(-c2cnc([C@H](C)CC(=O)[C@H](CC(=O)N3CCC[C@@H]3C)NC(=O)CCC(C)(C)C)[nH]2)c(F)c1.Cc1ccc(-c2cnc([C@H](C)CC(=O)[C@H](CC(=O)N3CCOC[C@@H]3C)NC(=O)CCC(C)C)[nH]2)c(F)c1.
What is the InChIKey of N-[(3S,6R)-1-(azepan-1-yl)-6-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-1,4-dioxoheptan-3-yl]-4-methylpentanamide;N-[(3S,6R)-6-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-1-methylimidazole-4-carboxamide;N-[(3S,6R)-6-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-1-[(3S)-3-methylmorpholin-4-yl]-1,4-dioxoheptan-3-yl]-4-methylpentanamide;N-[(3S,6R)-6-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-1-[(2R)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-4-methylpentanamide;N-[(3S,6R)-6-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-4-methylpentanamide;N-[(3S,6R)-6-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-1-[(2S)-2-methylpyrrolidin-1-yl]-1,4-dioxoheptan-3-yl]-4,4-dimethylpentanamide?
The InChIKey is NTFGZTBYPCCZQQ-GANJISAASA-N. The full InChI is InChI=1S/4C29H41FN4O3.C28H39FN4O4.C27H32F2N6O3/c1-18-9-10-21(22(30)14-18)24-17-31-28(33-24)19(2)15-25(35)23(32-26(36)11-12-29(4,5)6)16-27(37)34-13-7-8-20(34)3;2*1-18(2)9-12-27(36)32-24(16-28(37)34-13-7-6-8-21(34)5)26(35)15-20(4)29-31-17-25(33-29)22-11-10-19(3)14-23(22)30;1-19(2)9-12-27(36)32-24(17-28(37)34-13-7-5-6-8-14-34)26(35)16-21(4)29-31-18-25(33-29)22-11-10-20(3)15-23(22)30;1-17(2)6-9-26(35)31-23(14-27(36)33-10-11-37-16-20(33)5)25(34)13-19(4)28-30-15-24(32-28)21-8-7-18(3)12-22(21)29;1-16(26-30-13-22(32-26)19-8-7-18(28)11-20(19)29)10-24(36)21(33-27(38)23-14-34(3)15-31-23)12-25(37)35-9-5-4-6-17(35)2/h9-10,14,17,19-20,23H,7-8,11-13,15-16H2,1-6H3,(H,31,33)(H,32,36);2*10-11,14,17-18,20-21,24H,6-9,12-13,15-16H2,1-5H3,(H,31,33)(H,32,36);10-11,15,18-19,21,24H,5-9,12-14,16-17H2,1-4H3,(H,31,33)(H,32,36);7-8,12,15,17,19-20,23H,6,9-11,13-14,16H2,1-5H3,(H,30,32)(H,31,35);7-8,11,13-17,21H,4-6,9-10,12H2,1-3H3,(H,30,32)(H,33,38)/t19-,20+,23+;20-,21+,24+;20-,21-,24+;21-,24+;19-,20+,23+;16-,17+,21+/m111111/s1.
What are the key properties of N-[(3S,6R)-1-(azepan-1-yl)-6-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-1,4-dioxoheptan-3-yl]-4-methylpentanamide;N-[(3S,6R)-6-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-1-methylimidazole-4-carboxamide;N-[(3S,6R)-6-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-1-[(3S)-3-methylmorpholin-4-yl]-1,4-dioxoheptan-3-yl]-4-methylpentanamide;N-[(3S,6R)-6-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-1-[(2R)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-4-methylpentanamide;N-[(3S,6R)-6-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-4-methylpentanamide;N-[(3S,6R)-6-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-1-[(2S)-2-methylpyrrolidin-1-yl]-1,4-dioxoheptan-3-yl]-4,4-dimethylpentanamide?
N-[(3S,6R)-1-(azepan-1-yl)-6-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-1,4-dioxoheptan-3-yl]-4-methylpentanamide;N-[(3S,6R)-6-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-1-methylimidazole-4-carboxamide;N-[(3S,6R)-6-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-1-[(3S)-3-methylmorpholin-4-yl]-1,4-dioxoheptan-3-yl]-4-methylpentanamide;N-[(3S,6R)-6-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-1-[(2R)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-4-methylpentanamide;N-[(3S,6R)-6-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-4-methylpentanamide;N-[(3S,6R)-6-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-1-[(2S)-2-methylpyrrolidin-1-yl]-1,4-dioxoheptan-3-yl]-4,4-dimethylpentanamide has a molecular weight of 3091.91 g/mol, XLogP of 29.08, 63 rotatable bonds, 12 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,6R)-1-(azepan-1-yl)-6-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-1,4-dioxoheptan-3-yl]-4-methylpentanamide;N-[(3S,6R)-6-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-1-methylimidazole-4-carboxamide;N-[(3S,6R)-6-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-1-[(3S)-3-methylmorpholin-4-yl]-1,4-dioxoheptan-3-yl]-4-methylpentanamide;N-[(3S,6R)-6-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-1-[(2R)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-4-methylpentanamide;N-[(3S,6R)-6-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-4-methylpentanamide;N-[(3S,6R)-6-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-1-[(2S)-2-methylpyrrolidin-1-yl]-1,4-dioxoheptan-3-yl]-4,4-dimethylpentanamide is sourced from PubChem (CID 159878445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).