N-[(3S,6R)-6-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-2-methyl-1,3-thiazole-5-carboxamide;N-[(3S,6R)-1-[(2S)-2-ethylpiperidin-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-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-4,4-dimethylpentanamide;N-[(3S,6R)-6-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-2-methylpropane-1-sulfonamide;N-[(3S,6R)-6-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-2-phenylacetamide;(3S,6R)-6-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-1-[(2S)-2-methylpiperidin-1-yl]-3-(phenacylamino)heptane-1,4-dione

C176H230F7N25O19S2 — CID 159536889

IUPACN-[(3S,6R)-6-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-2-methyl-1,3-thiazole-5-carboxamide;N-[(3S,6R)-1-[(2S)-2-ethylpiperidin-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-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-4,4-dimethylpentanamide;N-[(3S,6R)-6-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-2-methylpropane-1-sulfonamide;N-[(3S,6R)-6-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-2-phenylacetamide;(3S,6R)-6-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-1-[(2S)-2-methylpiperidin-1-yl]-3-(phenacylamino)heptane-1,4-dione
SMILESCC[C@H]1CCCCN1C(=O)C[C@H](NC(=O)CCC(C)C)C(=O)C[C@@H](C)c1ncc(-c2ccc(C)cc2F)[nH]1.Cc1ccc(-c2cnc([C@H](C)CC(=O)[C@H](CC(=O)N3CCCC[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)N3CCCC[C@@H]3C)NC(=O)Cc3ccccc3)[nH]2)c(F)c1.Cc1ccc(-c2cnc([C@H](C)CC(=O)[C@H](CC(=O)N3CCCC[C@@H]3C)NCC(=O)c3ccccc3)[nH]2)c(F)c1.Cc1ccc(-c2cnc([C@H](C)CC(=O)[C@H](CC(=O)N3CCCC[C@@H]3C)NS(=O)(=O)CC(C)C)[nH]2)c(F)c1.Cc1ncc(C(=O)N[C@@H](CC(=O)N2CCCC[C@@H]2C)C(=O)C[C@@H](C)c2ncc(-c3ccc(F)cc3F)[nH]2)s1
InChIInChI=1S/2C31H37FN4O3.2C30H43FN4O3.C27H31F2N5O3S.C27H39FN4O4S/c1-20-12-13-24(25(32)15-20)27-18-34-31(35-27)21(2)16-28(37)26(17-30(39)36-14-8-7-9-22(36)3)33-19-29(38)23-10-5-4-6-11-23;1-20-12-13-24(25(32)15-20)27-19-33-31(35-27)21(2)16-28(37)26(18-30(39)36-14-8-7-9-22(36)3)34-29(38)17-23-10-5-4-6-11-23;1-19-10-11-22(23(31)15-19)25-18-32-29(34-25)20(2)16-26(36)24(33-27(37)12-13-30(4,5)6)17-28(38)35-14-8-7-9-21(35)3;1-6-22-9-7-8-14-35(22)29(38)17-25(33-28(37)13-10-19(2)3)27(36)16-21(5)30-32-18-26(34-30)23-12-11-20(4)15-24(23)31;1-15(26-31-13-22(32-26)19-8-7-18(28)11-20(19)29)10-23(35)21(33-27(37)24-14-30-17(3)38-24)12-25(36)34-9-5-4-6-16(34)2;1-17(2)16-37(35,36)31-23(14-26(34)32-11-7-6-8-20(32)5)25(33)13-19(4)27-29-15-24(30-27)21-10-9-18(3)12-22(21)28/h4-6,10-13,15,18,21-22,26,33H,7-9,14,16-17,19H2,1-3H3,(H,34,35);4-6,10-13,15,19,21-22,26H,7-9,14,16-18H2,1-3H3,(H,33,35)(H,34,38);10-11,15,18,20-21,24H,7-9,12-14,16-17H2,1-6H3,(H,32,34)(H,33,37);11-12,15,18-19,21-22,25H,6-10,13-14,16-17H2,1-5H3,(H,32,34)(H,33,37);7-8,11,13-16,21H,4-6,9-10,12H2,1-3H3,(H,31,32)(H,33,37);9-10,12,15,17,19-20,23,31H,6-8,11,13-14,16H2,1-5H3,(H,29,30)/t2*21-,22+,26+;20-,21+,24+;21-,22+,25+;15-,16+,21+;19-,20+,23+/m111111/s1
InChIKeyMDSADNDMWGFUAP-HOAJGIRGSA-N
MW3197.05 g/mol
LogP30.80
Rot. Bonds63

About N-[(3S,6R)-6-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-2-methyl-1,3-thiazole-5-carboxamide;N-[(3S,6R)-1-[(2S)-2-ethylpiperidin-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-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-4,4-dimethylpentanamide;N-[(3S,6R)-6-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-2-methylpropane-1-sulfonamide;N-[(3S,6R)-6-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-2-phenylacetamide;(3S,6R)-6-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-1-[(2S)-2-methylpiperidin-1-yl]-3-(phenacylamino)heptane-1,4-dione

N-[(3S,6R)-6-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-2-methyl-1,3-thiazole-5-carboxamide;N-[(3S,6R)-1-[(2S)-2-ethylpiperidin-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-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-4,4-dimethylpentanamide;N-[(3S,6R)-6-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-2-methylpropane-1-sulfonamide;N-[(3S,6R)-6-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-2-phenylacetamide;(3S,6R)-6-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-1-[(2S)-2-methylpiperidin-1-yl]-3-(phenacylamino)heptane-1,4-dione (PubChem CID 159536889) has the molecular formula C176H230F7N25O19S2 and a molecular weight of 3197.05 g/mol. Its IUPAC name is N-[(3S,6R)-6-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-2-methyl-1,3-thiazole-5-carboxamide;N-[(3S,6R)-1-[(2S)-2-ethylpiperidin-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-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-4,4-dimethylpentanamide;N-[(3S,6R)-6-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-2-methylpropane-1-sulfonamide;N-[(3S,6R)-6-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-2-phenylacetamide;(3S,6R)-6-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-1-[(2S)-2-methylpiperidin-1-yl]-3-(phenacylamino)heptane-1,4-dione.

Molecular Properties

Compound NameN-[(3S,6R)-6-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-2-methyl-1,3-thiazole-5-carboxamide;N-[(3S,6R)-1-[(2S)-2-ethylpiperidin-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-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-4,4-dimethylpentanamide;N-[(3S,6R)-6-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-2-methylpropane-1-sulfonamide;N-[(3S,6R)-6-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-2-phenylacetamide;(3S,6R)-6-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-1-[(2S)-2-methylpiperidin-1-yl]-3-(phenacylamino)heptane-1,4-dione
PubChem CID159536889
Molecular FormulaC176H230F7N25O19S2
Molecular Weight3197.05 g/mol
Exact Mass3194.71
IUPAC NameN-[(3S,6R)-6-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-2-methyl-1,3-thiazole-5-carboxamide;N-[(3S,6R)-1-[(2S)-2-ethylpiperidin-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-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-4,4-dimethylpentanamide;N-[(3S,6R)-6-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-2-methylpropane-1-sulfonamide;N-[(3S,6R)-6-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-2-phenylacetamide;(3S,6R)-6-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-1-[(2S)-2-methylpiperidin-1-yl]-3-(phenacylamino)heptane-1,4-dione
SMILESCC[C@H]1CCCCN1C(=O)C[C@H](NC(=O)CCC(C)C)C(=O)C[C@@H](C)c1ncc(-c2ccc(C)cc2F)[nH]1.Cc1ccc(-c2cnc([C@H](C)CC(=O)[C@H](CC(=O)N3CCCC[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)N3CCCC[C@@H]3C)NC(=O)Cc3ccccc3)[nH]2)c(F)c1.Cc1ccc(-c2cnc([C@H](C)CC(=O)[C@H](CC(=O)N3CCCC[C@@H]3C)NCC(=O)c3ccccc3)[nH]2)c(F)c1.Cc1ccc(-c2cnc([C@H](C)CC(=O)[C@H](CC(=O)N3CCCC[C@@H]3C)NS(=O)(=O)CC(C)C)[nH]2)c(F)c1.Cc1ncc(C(=O)N[C@@H](CC(=O)N2CCCC[C@@H]2C)C(=O)C[C@@H](C)c2ncc(-c3ccc(F)cc3F)[nH]2)s1
InChIInChI=1S/2C31H37FN4O3.2C30H43FN4O3.C27H31F2N5O3S.C27H39FN4O4S/c1-20-12-13-24(25(32)15-20)27-18-34-31(35-27)21(2)16-28(37)26(17-30(39)36-14-8-7-9-22(36)3)33-19-29(38)23-10-5-4-6-11-23;1-20-12-13-24(25(32)15-20)27-19-33-31(35-27)21(2)16-28(37)26(18-30(39)36-14-8-7-9-22(36)3)34-29(38)17-23-10-5-4-6-11-23;1-19-10-11-22(23(31)15-19)25-18-32-29(34-25)20(2)16-26(36)24(33-27(37)12-13-30(4,5)6)17-28(38)35-14-8-7-9-21(35)3;1-6-22-9-7-8-14-35(22)29(38)17-25(33-28(37)13-10-19(2)3)27(36)16-21(5)30-32-18-26(34-30)23-12-11-20(4)15-24(23)31;1-15(26-31-13-22(32-26)19-8-7-18(28)11-20(19)29)10-23(35)21(33-27(37)24-14-30-17(3)38-24)12-25(36)34-9-5-4-6-16(34)2;1-17(2)16-37(35,36)31-23(14-26(34)32-11-7-6-8-20(32)5)25(33)13-19(4)27-29-15-24(30-27)21-10-9-18(3)12-22(21)28/h4-6,10-13,15,18,21-22,26,33H,7-9,14,16-17,19H2,1-3H3,(H,34,35);4-6,10-13,15,19,21-22,26H,7-9,14,16-18H2,1-3H3,(H,33,35)(H,34,38);10-11,15,18,20-21,24H,7-9,12-14,16-17H2,1-6H3,(H,32,34)(H,33,37);11-12,15,18-19,21-22,25H,6-10,13-14,16-17H2,1-5H3,(H,32,34)(H,33,37);7-8,11,13-16,21H,4-6,9-10,12H2,1-3H3,(H,31,32)(H,33,37);9-10,12,15,17,19-20,23,31H,6-8,11,13-14,16H2,1-5H3,(H,29,30)/t2*21-,22+,26+;20-,21+,24+;21-,22+,25+;15-,16+,21+;19-,20+,23+/m111111/s1
InChIKeyMDSADNDMWGFUAP-HOAJGIRGSA-N
XLogP30.80
TPSA600.92 Ų
H-Bond Donors12
H-Bond Acceptors28
Rotatable Bonds63
Heavy Atoms229
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003197.05
LogP ≤ 530.80
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1028

Analyze N-[(3S,6R)-6-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-2-methyl-1,3-thiazole-5-carboxamide;N-[(3S,6R)-1-[(2S)-2-ethylpiperidin-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-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-4,4-dimethylpentanamide;N-[(3S,6R)-6-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-2-methylpropane-1-sulfonamide;N-[(3S,6R)-6-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-2-phenylacetamide;(3S,6R)-6-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-1-[(2S)-2-methylpiperidin-1-yl]-3-(phenacylamino)heptane-1,4-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(3S,6R)-6-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-2-methyl-1,3-thiazole-5-carboxamide;N-[(3S,6R)-1-[(2S)-2-ethylpiperidin-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-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-4,4-dimethylpentanamide;N-[(3S,6R)-6-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-2-methylpropane-1-sulfonamide;N-[(3S,6R)-6-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-2-phenylacetamide;(3S,6R)-6-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-1-[(2S)-2-methylpiperidin-1-yl]-3-(phenacylamino)heptane-1,4-dione?
The IUPAC name of N-[(3S,6R)-6-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-2-methyl-1,3-thiazole-5-carboxamide;N-[(3S,6R)-1-[(2S)-2-ethylpiperidin-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-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-4,4-dimethylpentanamide;N-[(3S,6R)-6-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-2-methylpropane-1-sulfonamide;N-[(3S,6R)-6-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-2-phenylacetamide;(3S,6R)-6-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-1-[(2S)-2-methylpiperidin-1-yl]-3-(phenacylamino)heptane-1,4-dione (CID 159536889) is N-[(3S,6R)-6-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-2-methyl-1,3-thiazole-5-carboxamide;N-[(3S,6R)-1-[(2S)-2-ethylpiperidin-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-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-4,4-dimethylpentanamide;N-[(3S,6R)-6-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-2-methylpropane-1-sulfonamide;N-[(3S,6R)-6-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-2-phenylacetamide;(3S,6R)-6-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-1-[(2S)-2-methylpiperidin-1-yl]-3-(phenacylamino)heptane-1,4-dione.
What is the SMILES notation for N-[(3S,6R)-6-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-2-methyl-1,3-thiazole-5-carboxamide;N-[(3S,6R)-1-[(2S)-2-ethylpiperidin-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-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-4,4-dimethylpentanamide;N-[(3S,6R)-6-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-2-methylpropane-1-sulfonamide;N-[(3S,6R)-6-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-2-phenylacetamide;(3S,6R)-6-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-1-[(2S)-2-methylpiperidin-1-yl]-3-(phenacylamino)heptane-1,4-dione?
The canonical SMILES for N-[(3S,6R)-6-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-2-methyl-1,3-thiazole-5-carboxamide;N-[(3S,6R)-1-[(2S)-2-ethylpiperidin-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-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-4,4-dimethylpentanamide;N-[(3S,6R)-6-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-2-methylpropane-1-sulfonamide;N-[(3S,6R)-6-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-2-phenylacetamide;(3S,6R)-6-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-1-[(2S)-2-methylpiperidin-1-yl]-3-(phenacylamino)heptane-1,4-dione is CC[C@H]1CCCCN1C(=O)C[C@H](NC(=O)CCC(C)C)C(=O)C[C@@H](C)c1ncc(-c2ccc(C)cc2F)[nH]1.Cc1ccc(-c2cnc([C@H](C)CC(=O)[C@H](CC(=O)N3CCCC[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)N3CCCC[C@@H]3C)NC(=O)Cc3ccccc3)[nH]2)c(F)c1.Cc1ccc(-c2cnc([C@H](C)CC(=O)[C@H](CC(=O)N3CCCC[C@@H]3C)NCC(=O)c3ccccc3)[nH]2)c(F)c1.Cc1ccc(-c2cnc([C@H](C)CC(=O)[C@H](CC(=O)N3CCCC[C@@H]3C)NS(=O)(=O)CC(C)C)[nH]2)c(F)c1.Cc1ncc(C(=O)N[C@@H](CC(=O)N2CCCC[C@@H]2C)C(=O)C[C@@H](C)c2ncc(-c3ccc(F)cc3F)[nH]2)s1.
What is the InChIKey of N-[(3S,6R)-6-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-2-methyl-1,3-thiazole-5-carboxamide;N-[(3S,6R)-1-[(2S)-2-ethylpiperidin-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-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-4,4-dimethylpentanamide;N-[(3S,6R)-6-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-2-methylpropane-1-sulfonamide;N-[(3S,6R)-6-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-2-phenylacetamide;(3S,6R)-6-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-1-[(2S)-2-methylpiperidin-1-yl]-3-(phenacylamino)heptane-1,4-dione?
The InChIKey is MDSADNDMWGFUAP-HOAJGIRGSA-N. The full InChI is InChI=1S/2C31H37FN4O3.2C30H43FN4O3.C27H31F2N5O3S.C27H39FN4O4S/c1-20-12-13-24(25(32)15-20)27-18-34-31(35-27)21(2)16-28(37)26(17-30(39)36-14-8-7-9-22(36)3)33-19-29(38)23-10-5-4-6-11-23;1-20-12-13-24(25(32)15-20)27-19-33-31(35-27)21(2)16-28(37)26(18-30(39)36-14-8-7-9-22(36)3)34-29(38)17-23-10-5-4-6-11-23;1-19-10-11-22(23(31)15-19)25-18-32-29(34-25)20(2)16-26(36)24(33-27(37)12-13-30(4,5)6)17-28(38)35-14-8-7-9-21(35)3;1-6-22-9-7-8-14-35(22)29(38)17-25(33-28(37)13-10-19(2)3)27(36)16-21(5)30-32-18-26(34-30)23-12-11-20(4)15-24(23)31;1-15(26-31-13-22(32-26)19-8-7-18(28)11-20(19)29)10-23(35)21(33-27(37)24-14-30-17(3)38-24)12-25(36)34-9-5-4-6-16(34)2;1-17(2)16-37(35,36)31-23(14-26(34)32-11-7-6-8-20(32)5)25(33)13-19(4)27-29-15-24(30-27)21-10-9-18(3)12-22(21)28/h4-6,10-13,15,18,21-22,26,33H,7-9,14,16-17,19H2,1-3H3,(H,34,35);4-6,10-13,15,19,21-22,26H,7-9,14,16-18H2,1-3H3,(H,33,35)(H,34,38);10-11,15,18,20-21,24H,7-9,12-14,16-17H2,1-6H3,(H,32,34)(H,33,37);11-12,15,18-19,21-22,25H,6-10,13-14,16-17H2,1-5H3,(H,32,34)(H,33,37);7-8,11,13-16,21H,4-6,9-10,12H2,1-3H3,(H,31,32)(H,33,37);9-10,12,15,17,19-20,23,31H,6-8,11,13-14,16H2,1-5H3,(H,29,30)/t2*21-,22+,26+;20-,21+,24+;21-,22+,25+;15-,16+,21+;19-,20+,23+/m111111/s1.
What are the key properties of N-[(3S,6R)-6-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-2-methyl-1,3-thiazole-5-carboxamide;N-[(3S,6R)-1-[(2S)-2-ethylpiperidin-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-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-4,4-dimethylpentanamide;N-[(3S,6R)-6-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-2-methylpropane-1-sulfonamide;N-[(3S,6R)-6-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-2-phenylacetamide;(3S,6R)-6-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-1-[(2S)-2-methylpiperidin-1-yl]-3-(phenacylamino)heptane-1,4-dione?
N-[(3S,6R)-6-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-2-methyl-1,3-thiazole-5-carboxamide;N-[(3S,6R)-1-[(2S)-2-ethylpiperidin-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-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-4,4-dimethylpentanamide;N-[(3S,6R)-6-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-2-methylpropane-1-sulfonamide;N-[(3S,6R)-6-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-2-phenylacetamide;(3S,6R)-6-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-1-[(2S)-2-methylpiperidin-1-yl]-3-(phenacylamino)heptane-1,4-dione has a molecular weight of 3197.05 g/mol, XLogP of 30.80, 63 rotatable bonds, 12 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,6R)-6-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-2-methyl-1,3-thiazole-5-carboxamide;N-[(3S,6R)-1-[(2S)-2-ethylpiperidin-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-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-4,4-dimethylpentanamide;N-[(3S,6R)-6-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-2-methylpropane-1-sulfonamide;N-[(3S,6R)-6-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-2-phenylacetamide;(3S,6R)-6-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-1-[(2S)-2-methylpiperidin-1-yl]-3-(phenacylamino)heptane-1,4-dione is sourced from PubChem (CID 159536889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).