(2S)-N-[(1S,4R)-1-(1,3-benzoxazol-2-ylamino)-4-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-2-oxopentyl]-2-methylpiperidine-1-carboxamide;2-cyclopropyl-N-[(3S,6R)-6-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]ethanesulfonamide;N-[(3S,6R)-6-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]benzenesulfonamide;N-[(3S,6R)-6-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-1,4-dioxo-1-(2-propan-2-ylpiperidin-1-yl)heptan-3-yl]-4-methylpentanamide;N-[(3S,6R)-6-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-1,4-dioxo-1-[(2R)-2-(trifluoromethyl)piperidin-1-yl]heptan-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]-2-(oxan-4-yl)acetamide

C175H228F10N26O21S2 — CID 160923347

IUPAC(2S)-N-[(1S,4R)-1-(1,3-benzoxazol-2-ylamino)-4-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-2-oxopentyl]-2-methylpiperidine-1-carboxamide;2-cyclopropyl-N-[(3S,6R)-6-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]ethanesulfonamide;N-[(3S,6R)-6-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]benzenesulfonamide;N-[(3S,6R)-6-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-1,4-dioxo-1-(2-propan-2-ylpiperidin-1-yl)heptan-3-yl]-4-methylpentanamide;N-[(3S,6R)-6-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-1,4-dioxo-1-[(2R)-2-(trifluoromethyl)piperidin-1-yl]heptan-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]-2-(oxan-4-yl)acetamide
SMILESC[C@H](CC(=O)[C@H](CC(=O)N1CCCC[C@@H]1C)NS(=O)(=O)c1ccccc1)c1ncc(-c2ccc(F)cc2F)[nH]1.Cc1ccc(-c2cnc([C@H](C)CC(=O)[C@H](CC(=O)N3CCCCC3C(C)C)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(F)(F)F)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)CC3CCOCC3)[nH]2)c(F)c1.Cc1ccc(-c2cnc([C@H](C)CC(=O)[C@H](CC(=O)N3CCCC[C@@H]3C)NS(=O)(=O)CCC3CC3)[nH]2)c(F)c1.Cc1ccc(-c2cnc([C@H](C)CC(=O)[C@H](NC(=O)N3CCCC[C@@H]3C)Nc3nc4ccccc4o3)[nH]2)c(F)c1
InChIInChI=1S/C31H45FN4O3.C30H41FN4O4.C29H38F4N4O3.C29H33FN6O3.C28H32F2N4O4S.C28H39FN4O4S/c1-19(2)10-13-29(38)34-25(17-30(39)36-14-8-7-9-27(36)20(3)4)28(37)16-22(6)31-33-18-26(35-31)23-12-11-21(5)15-24(23)32;1-19-7-8-23(24(31)14-19)26-18-32-30(34-26)20(2)15-27(36)25(17-29(38)35-11-5-4-6-21(35)3)33-28(37)16-22-9-12-39-13-10-22;1-17(2)8-11-26(39)35-22(15-27(40)37-12-6-5-7-25(37)29(31,32)33)24(38)14-19(4)28-34-16-23(36-28)20-10-9-18(3)13-21(20)30;1-17-11-12-20(21(30)14-17)23-16-31-26(32-23)18(2)15-24(37)27(35-29(38)36-13-7-6-8-19(36)3)34-28-33-22-9-4-5-10-25(22)39-28;1-18(28-31-17-25(32-28)22-12-11-20(29)15-23(22)30)14-26(35)24(16-27(36)34-13-7-6-8-19(34)2)33-39(37,38)21-9-4-3-5-10-21;1-18-7-10-22(23(29)14-18)25-17-30-28(31-25)19(2)15-26(34)24(32-38(36,37)13-11-21-8-9-21)16-27(35)33-12-5-4-6-20(33)3/h11-12,15,18-20,22,25,27H,7-10,13-14,16-17H2,1-6H3,(H,33,35)(H,34,38);7-8,14,18,20-22,25H,4-6,9-13,15-17H2,1-3H3,(H,32,34)(H,33,37);9-10,13,16-17,19,22,25H,5-8,11-12,14-15H2,1-4H3,(H,34,36)(H,35,39);4-5,9-12,14,16,18-19,27H,6-8,13,15H2,1-3H3,(H,31,32)(H,33,34)(H,35,38);3-5,9-12,15,17-19,24,33H,6-8,13-14,16H2,1-2H3,(H,31,32);7,10,14,17,19-21,24,32H,4-6,8-9,11-13,15-16H2,1-3H3,(H,30,31)/t22-,25+,27?;20-,21+,25+;19-,22+,25-;18-,19+,27+;18-,19+,24+;19-,20+,24+/m111111/s1
InChIKeySSHWULKXFWTYSQ-ACLWSEEOSA-N
MW3286.02 g/mol
LogP31.23
Rot. Bonds63

About (2S)-N-[(1S,4R)-1-(1,3-benzoxazol-2-ylamino)-4-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-2-oxopentyl]-2-methylpiperidine-1-carboxamide;2-cyclopropyl-N-[(3S,6R)-6-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]ethanesulfonamide;N-[(3S,6R)-6-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]benzenesulfonamide;N-[(3S,6R)-6-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-1,4-dioxo-1-(2-propan-2-ylpiperidin-1-yl)heptan-3-yl]-4-methylpentanamide;N-[(3S,6R)-6-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-1,4-dioxo-1-[(2R)-2-(trifluoromethyl)piperidin-1-yl]heptan-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]-2-(oxan-4-yl)acetamide

(2S)-N-[(1S,4R)-1-(1,3-benzoxazol-2-ylamino)-4-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-2-oxopentyl]-2-methylpiperidine-1-carboxamide;2-cyclopropyl-N-[(3S,6R)-6-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]ethanesulfonamide;N-[(3S,6R)-6-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]benzenesulfonamide;N-[(3S,6R)-6-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-1,4-dioxo-1-(2-propan-2-ylpiperidin-1-yl)heptan-3-yl]-4-methylpentanamide;N-[(3S,6R)-6-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-1,4-dioxo-1-[(2R)-2-(trifluoromethyl)piperidin-1-yl]heptan-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]-2-(oxan-4-yl)acetamide (PubChem CID 160923347) has the molecular formula C175H228F10N26O21S2 and a molecular weight of 3286.02 g/mol. Its IUPAC name is (2S)-N-[(1S,4R)-1-(1,3-benzoxazol-2-ylamino)-4-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-2-oxopentyl]-2-methylpiperidine-1-carboxamide;2-cyclopropyl-N-[(3S,6R)-6-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]ethanesulfonamide;N-[(3S,6R)-6-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]benzenesulfonamide;N-[(3S,6R)-6-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-1,4-dioxo-1-(2-propan-2-ylpiperidin-1-yl)heptan-3-yl]-4-methylpentanamide;N-[(3S,6R)-6-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-1,4-dioxo-1-[(2R)-2-(trifluoromethyl)piperidin-1-yl]heptan-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]-2-(oxan-4-yl)acetamide.

Molecular Properties

Compound Name(2S)-N-[(1S,4R)-1-(1,3-benzoxazol-2-ylamino)-4-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-2-oxopentyl]-2-methylpiperidine-1-carboxamide;2-cyclopropyl-N-[(3S,6R)-6-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]ethanesulfonamide;N-[(3S,6R)-6-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]benzenesulfonamide;N-[(3S,6R)-6-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-1,4-dioxo-1-(2-propan-2-ylpiperidin-1-yl)heptan-3-yl]-4-methylpentanamide;N-[(3S,6R)-6-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-1,4-dioxo-1-[(2R)-2-(trifluoromethyl)piperidin-1-yl]heptan-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]-2-(oxan-4-yl)acetamide
PubChem CID160923347
Molecular FormulaC175H228F10N26O21S2
Molecular Weight3286.02 g/mol
Exact Mass3283.69
IUPAC Name(2S)-N-[(1S,4R)-1-(1,3-benzoxazol-2-ylamino)-4-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-2-oxopentyl]-2-methylpiperidine-1-carboxamide;2-cyclopropyl-N-[(3S,6R)-6-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]ethanesulfonamide;N-[(3S,6R)-6-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]benzenesulfonamide;N-[(3S,6R)-6-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-1,4-dioxo-1-(2-propan-2-ylpiperidin-1-yl)heptan-3-yl]-4-methylpentanamide;N-[(3S,6R)-6-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-1,4-dioxo-1-[(2R)-2-(trifluoromethyl)piperidin-1-yl]heptan-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]-2-(oxan-4-yl)acetamide
SMILESC[C@H](CC(=O)[C@H](CC(=O)N1CCCC[C@@H]1C)NS(=O)(=O)c1ccccc1)c1ncc(-c2ccc(F)cc2F)[nH]1.Cc1ccc(-c2cnc([C@H](C)CC(=O)[C@H](CC(=O)N3CCCCC3C(C)C)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(F)(F)F)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)CC3CCOCC3)[nH]2)c(F)c1.Cc1ccc(-c2cnc([C@H](C)CC(=O)[C@H](CC(=O)N3CCCC[C@@H]3C)NS(=O)(=O)CCC3CC3)[nH]2)c(F)c1.Cc1ccc(-c2cnc([C@H](C)CC(=O)[C@H](NC(=O)N3CCCC[C@@H]3C)Nc3nc4ccccc4o3)[nH]2)c(F)c1
InChIInChI=1S/C31H45FN4O3.C30H41FN4O4.C29H38F4N4O3.C29H33FN6O3.C28H32F2N4O4S.C28H39FN4O4S/c1-19(2)10-13-29(38)34-25(17-30(39)36-14-8-7-9-27(36)20(3)4)28(37)16-22(6)31-33-18-26(35-31)23-12-11-21(5)15-24(23)32;1-19-7-8-23(24(31)14-19)26-18-32-30(34-26)20(2)15-27(36)25(17-29(38)35-11-5-4-6-21(35)3)33-28(37)16-22-9-12-39-13-10-22;1-17(2)8-11-26(39)35-22(15-27(40)37-12-6-5-7-25(37)29(31,32)33)24(38)14-19(4)28-34-16-23(36-28)20-10-9-18(3)13-21(20)30;1-17-11-12-20(21(30)14-17)23-16-31-26(32-23)18(2)15-24(37)27(35-29(38)36-13-7-6-8-19(36)3)34-28-33-22-9-4-5-10-25(22)39-28;1-18(28-31-17-25(32-28)22-12-11-20(29)15-23(22)30)14-26(35)24(16-27(36)34-13-7-6-8-19(34)2)33-39(37,38)21-9-4-3-5-10-21;1-18-7-10-22(23(29)14-18)25-17-30-28(31-25)19(2)15-26(34)24(32-38(36,37)13-11-21-8-9-21)16-27(35)33-12-5-4-6-20(33)3/h11-12,15,18-20,22,25,27H,7-10,13-14,16-17H2,1-6H3,(H,33,35)(H,34,38);7-8,14,18,20-22,25H,4-6,9-13,15-17H2,1-3H3,(H,32,34)(H,33,37);9-10,13,16-17,19,22,25H,5-8,11-12,14-15H2,1-4H3,(H,34,36)(H,35,39);4-5,9-12,14,16,18-19,27H,6-8,13,15H2,1-3H3,(H,31,32)(H,33,34)(H,35,38);3-5,9-12,15,17-19,24,33H,6-8,13-14,16H2,1-2H3,(H,31,32);7,10,14,17,19-21,24,32H,4-6,8-9,11-13,15-16H2,1-3H3,(H,30,31)/t22-,25+,27?;20-,21+,25+;19-,22+,25-;18-,19+,27+;18-,19+,24+;19-,20+,24+/m111111/s1
InChIKeySSHWULKXFWTYSQ-ACLWSEEOSA-N
XLogP31.23
TPSA635.32 Ų
H-Bond Donors13
H-Bond Acceptors29
Rotatable Bonds63
Heavy Atoms234
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003286.02
LogP ≤ 531.23
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1029

Analyze (2S)-N-[(1S,4R)-1-(1,3-benzoxazol-2-ylamino)-4-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-2-oxopentyl]-2-methylpiperidine-1-carboxamide;2-cyclopropyl-N-[(3S,6R)-6-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]ethanesulfonamide;N-[(3S,6R)-6-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]benzenesulfonamide;N-[(3S,6R)-6-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-1,4-dioxo-1-(2-propan-2-ylpiperidin-1-yl)heptan-3-yl]-4-methylpentanamide;N-[(3S,6R)-6-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-1,4-dioxo-1-[(2R)-2-(trifluoromethyl)piperidin-1-yl]heptan-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]-2-(oxan-4-yl)acetamide with MolForge

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Related Compounds

1-[4-[[3-(1H-imidazol-5-ylmethyl)-1-oxa-4,8-diazaspiro[4.5]decan-4-yl]sulfonyl]phenyl]ethanone;4-(4-methoxyphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane;4-(4-methoxyphenyl)sulfonyl-8-prop-2-enyl-1-oxa-4,8-diazaspiro[4.5]decane;1-[4-(1-oxa-4,8-diazaspiro[4.5]decane-4-carbonyl)phenyl]ethanone;1-[4-(1-oxa-4,8-diazaspiro[4.5]decan-4-ylsulfonyl)phenyl]ethanone;4-[4-(trifluoromethoxy)phenyl]sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane
CID 160936057
CID 160999852
CID 160999852
1-[4-[[3-[4-(dimethylamino)butyl]-1-oxa-4,8-diazaspiro[4.5]decan-4-yl]sulfonyl]phenyl]ethanone;1-[4-[[3-(1H-imidazol-5-ylmethyl)-1-oxa-4,8-diazaspiro[4.5]decan-4-yl]sulfonyl]phenyl]ethanone;4-(4-methoxyphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane;4-(4-methoxyphenyl)sulfonyl-8-prop-2-enyl-1-oxa-4,8-diazaspiro[4.5]decane;1-[4-(1-oxa-4,8-diazaspiro[4.5]decane-4-carbonyl)phenyl]ethanone;1-[4-(1-oxa-4,8-diazaspiro[4.5]decan-4-ylsulfonyl)phenyl]ethanone;4-[4-(trifluoromethoxy)phenyl]sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane
CID 161080394
CID 163648882
CID 163648882
(3S,6R)-3-(1,3-benzoxazol-2-ylamino)-6-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-1-[(2S)-2-methylpiperidin-1-yl]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]benzenesulfonamide;N-[(3S,6R)-6-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-4-methylbenzenesulfonamide;N-[(3S,6R)-6-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-1,4-dioxo-1-[(2R)-2-(trifluoromethyl)piperidin-1-yl]heptan-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]-3-methylbutane-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]-1-phenylmethanesulfonamide
CID 163724161
(2S)-N-[(1S,4R)-1-(1,3-benzoxazol-2-ylamino)-4-(4-fluoro-1H-benzimidazol-2-yl)-2-oxopentyl]-2-ethylpiperidine-1-carboxamide;N-[(3S,6R)-1-[(2S)-2-ethylpiperidin-1-yl]-6-(4-fluoro-1H-benzimidazol-2-yl)-1,4-dioxoheptan-3-yl]-4,4-dimethylpentanamide;3-[(3S,6R)-1-[(2S)-2-ethylpiperidin-1-yl]-6-(4-fluoro-1H-benzimidazol-2-yl)-1,4-dioxoheptan-3-yl]-1-methyl-1-(2-methylpropyl)urea;N-[(3S,6R)-1-[(2S)-2-ethylpiperidin-1-yl]-6-(4-fluoro-1H-benzimidazol-2-yl)-1,4-dioxoheptan-3-yl]morpholine-4-carboxamide;N-[(3S,6R)-1-[(2S)-2-ethylpiperidin-1-yl]-6-(4-fluoro-1H-benzimidazol-2-yl)-1,4-dioxoheptan-3-yl]piperidine-1-carboxamide;N-[(3S,6R)-1-[(2S)-2-ethylpiperidin-1-yl]-6-(4-fluoro-1H-benzimidazol-2-yl)-1,4-dioxoheptan-3-yl]spiro[3.3]heptane-2-carboxamide
CID 157110761
CID 159704071
CID 159704071
(2S)-2-(1,3-benzoxazol-2-ylamino)-N-[(1S)-1-[5-(2-fluorophenyl)-1H-imidazol-2-yl]ethyl]-4-oxo-4-[(2R)-2-phenylpyrrolidin-1-yl]butanamide;(2S)-N-[(1S)-1-(5-benzyl-1H-imidazol-2-yl)ethyl]-2-[2-(5-methyl-1,2-oxazol-3-yl)-2-oxoethyl]-4-oxo-4-[(2R)-2-phenylpyrrolidin-1-yl]butanamide;N-[(3S,6R)-6-(5-benzyl-1H-imidazol-2-yl)-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-2-cyclopropylacetamide;N-[(3S,6R)-6-(5-benzyl-1H-imidazol-2-yl)-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-2-(oxan-4-yl)acetamide
CID 159854034
(3S,6R)-3-(1,3-benzoxazol-2-ylamino)-1-[(2S)-2-ethylpiperidin-1-yl]-6-(4-fluoro-1H-benzimidazol-2-yl)heptane-1,4-dione;N-[(3S,6R)-1-[(2S)-2-ethylpiperidin-1-yl]-6-(4-fluoro-1H-benzimidazol-2-yl)-1,4-dioxoheptan-3-yl]-4,4-dimethylpentanamide;3-[(3S,6R)-1-[(2S)-2-ethylpiperidin-1-yl]-6-(4-fluoro-1H-benzimidazol-2-yl)-1,4-dioxoheptan-3-yl]-1-methyl-1-(2-methylpropyl)urea;N-[(3S,6R)-1-[(2S)-2-ethylpiperidin-1-yl]-6-(4-fluoro-1H-benzimidazol-2-yl)-1,4-dioxoheptan-3-yl]morpholine-4-carboxamide;N-[(3S,6R)-1-[(2S)-2-ethylpiperidin-1-yl]-6-(4-fluoro-1H-benzimidazol-2-yl)-1,4-dioxoheptan-3-yl]piperidine-1-carboxamide;N-[(3S,6R)-1-[(2S)-2-ethylpiperidin-1-yl]-6-(4-fluoro-1H-benzimidazol-2-yl)-1,4-dioxoheptan-3-yl]spiro[3.3]heptane-2-carboxamide
CID 161390338
CID 161594392
CID 161594392
(3S,6R)-3-(1,3-benzoxazol-2-ylamino)-6-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-1-[(2S)-2-methylpiperidin-1-yl]heptane-1,4-dione;2-cyclopropyl-N-[(3S,6R)-6-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]ethanesulfonamide;N-[(3S,6R)-6-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]benzenesulfonamide;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)-6-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-1,4-dioxo-1-(2-propan-2-ylpiperidin-1-yl)heptan-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]-2-(oxan-4-yl)acetamide
CID 161653423
[(2S,6R)-2,6-dimethylmorpholin-4-yl]-[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone;(1,1-dioxo-1,4-thiazinan-4-yl)-[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone;1-[4-[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridine-3-carbonyl]piperazin-1-yl]ethanone;[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-(4-methylsulfonylpiperazin-1-yl)methanone;[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-piperazin-1-ylmethanone
CID 162133868

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(1S,4R)-1-(1,3-benzoxazol-2-ylamino)-4-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-2-oxopentyl]-2-methylpiperidine-1-carboxamide;2-cyclopropyl-N-[(3S,6R)-6-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]ethanesulfonamide;N-[(3S,6R)-6-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]benzenesulfonamide;N-[(3S,6R)-6-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-1,4-dioxo-1-(2-propan-2-ylpiperidin-1-yl)heptan-3-yl]-4-methylpentanamide;N-[(3S,6R)-6-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-1,4-dioxo-1-[(2R)-2-(trifluoromethyl)piperidin-1-yl]heptan-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]-2-(oxan-4-yl)acetamide?
The IUPAC name of (2S)-N-[(1S,4R)-1-(1,3-benzoxazol-2-ylamino)-4-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-2-oxopentyl]-2-methylpiperidine-1-carboxamide;2-cyclopropyl-N-[(3S,6R)-6-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]ethanesulfonamide;N-[(3S,6R)-6-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]benzenesulfonamide;N-[(3S,6R)-6-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-1,4-dioxo-1-(2-propan-2-ylpiperidin-1-yl)heptan-3-yl]-4-methylpentanamide;N-[(3S,6R)-6-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-1,4-dioxo-1-[(2R)-2-(trifluoromethyl)piperidin-1-yl]heptan-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]-2-(oxan-4-yl)acetamide (CID 160923347) is (2S)-N-[(1S,4R)-1-(1,3-benzoxazol-2-ylamino)-4-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-2-oxopentyl]-2-methylpiperidine-1-carboxamide;2-cyclopropyl-N-[(3S,6R)-6-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]ethanesulfonamide;N-[(3S,6R)-6-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]benzenesulfonamide;N-[(3S,6R)-6-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-1,4-dioxo-1-(2-propan-2-ylpiperidin-1-yl)heptan-3-yl]-4-methylpentanamide;N-[(3S,6R)-6-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-1,4-dioxo-1-[(2R)-2-(trifluoromethyl)piperidin-1-yl]heptan-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]-2-(oxan-4-yl)acetamide.
What is the SMILES notation for (2S)-N-[(1S,4R)-1-(1,3-benzoxazol-2-ylamino)-4-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-2-oxopentyl]-2-methylpiperidine-1-carboxamide;2-cyclopropyl-N-[(3S,6R)-6-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]ethanesulfonamide;N-[(3S,6R)-6-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]benzenesulfonamide;N-[(3S,6R)-6-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-1,4-dioxo-1-(2-propan-2-ylpiperidin-1-yl)heptan-3-yl]-4-methylpentanamide;N-[(3S,6R)-6-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-1,4-dioxo-1-[(2R)-2-(trifluoromethyl)piperidin-1-yl]heptan-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]-2-(oxan-4-yl)acetamide?
The canonical SMILES for (2S)-N-[(1S,4R)-1-(1,3-benzoxazol-2-ylamino)-4-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-2-oxopentyl]-2-methylpiperidine-1-carboxamide;2-cyclopropyl-N-[(3S,6R)-6-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]ethanesulfonamide;N-[(3S,6R)-6-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]benzenesulfonamide;N-[(3S,6R)-6-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-1,4-dioxo-1-(2-propan-2-ylpiperidin-1-yl)heptan-3-yl]-4-methylpentanamide;N-[(3S,6R)-6-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-1,4-dioxo-1-[(2R)-2-(trifluoromethyl)piperidin-1-yl]heptan-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]-2-(oxan-4-yl)acetamide is C[C@H](CC(=O)[C@H](CC(=O)N1CCCC[C@@H]1C)NS(=O)(=O)c1ccccc1)c1ncc(-c2ccc(F)cc2F)[nH]1.Cc1ccc(-c2cnc([C@H](C)CC(=O)[C@H](CC(=O)N3CCCCC3C(C)C)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(F)(F)F)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)CC3CCOCC3)[nH]2)c(F)c1.Cc1ccc(-c2cnc([C@H](C)CC(=O)[C@H](CC(=O)N3CCCC[C@@H]3C)NS(=O)(=O)CCC3CC3)[nH]2)c(F)c1.Cc1ccc(-c2cnc([C@H](C)CC(=O)[C@H](NC(=O)N3CCCC[C@@H]3C)Nc3nc4ccccc4o3)[nH]2)c(F)c1.
What is the InChIKey of (2S)-N-[(1S,4R)-1-(1,3-benzoxazol-2-ylamino)-4-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-2-oxopentyl]-2-methylpiperidine-1-carboxamide;2-cyclopropyl-N-[(3S,6R)-6-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]ethanesulfonamide;N-[(3S,6R)-6-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]benzenesulfonamide;N-[(3S,6R)-6-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-1,4-dioxo-1-(2-propan-2-ylpiperidin-1-yl)heptan-3-yl]-4-methylpentanamide;N-[(3S,6R)-6-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-1,4-dioxo-1-[(2R)-2-(trifluoromethyl)piperidin-1-yl]heptan-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]-2-(oxan-4-yl)acetamide?
The InChIKey is SSHWULKXFWTYSQ-ACLWSEEOSA-N. The full InChI is InChI=1S/C31H45FN4O3.C30H41FN4O4.C29H38F4N4O3.C29H33FN6O3.C28H32F2N4O4S.C28H39FN4O4S/c1-19(2)10-13-29(38)34-25(17-30(39)36-14-8-7-9-27(36)20(3)4)28(37)16-22(6)31-33-18-26(35-31)23-12-11-21(5)15-24(23)32;1-19-7-8-23(24(31)14-19)26-18-32-30(34-26)20(2)15-27(36)25(17-29(38)35-11-5-4-6-21(35)3)33-28(37)16-22-9-12-39-13-10-22;1-17(2)8-11-26(39)35-22(15-27(40)37-12-6-5-7-25(37)29(31,32)33)24(38)14-19(4)28-34-16-23(36-28)20-10-9-18(3)13-21(20)30;1-17-11-12-20(21(30)14-17)23-16-31-26(32-23)18(2)15-24(37)27(35-29(38)36-13-7-6-8-19(36)3)34-28-33-22-9-4-5-10-25(22)39-28;1-18(28-31-17-25(32-28)22-12-11-20(29)15-23(22)30)14-26(35)24(16-27(36)34-13-7-6-8-19(34)2)33-39(37,38)21-9-4-3-5-10-21;1-18-7-10-22(23(29)14-18)25-17-30-28(31-25)19(2)15-26(34)24(32-38(36,37)13-11-21-8-9-21)16-27(35)33-12-5-4-6-20(33)3/h11-12,15,18-20,22,25,27H,7-10,13-14,16-17H2,1-6H3,(H,33,35)(H,34,38);7-8,14,18,20-22,25H,4-6,9-13,15-17H2,1-3H3,(H,32,34)(H,33,37);9-10,13,16-17,19,22,25H,5-8,11-12,14-15H2,1-4H3,(H,34,36)(H,35,39);4-5,9-12,14,16,18-19,27H,6-8,13,15H2,1-3H3,(H,31,32)(H,33,34)(H,35,38);3-5,9-12,15,17-19,24,33H,6-8,13-14,16H2,1-2H3,(H,31,32);7,10,14,17,19-21,24,32H,4-6,8-9,11-13,15-16H2,1-3H3,(H,30,31)/t22-,25+,27?;20-,21+,25+;19-,22+,25-;18-,19+,27+;18-,19+,24+;19-,20+,24+/m111111/s1.
What are the key properties of (2S)-N-[(1S,4R)-1-(1,3-benzoxazol-2-ylamino)-4-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-2-oxopentyl]-2-methylpiperidine-1-carboxamide;2-cyclopropyl-N-[(3S,6R)-6-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]ethanesulfonamide;N-[(3S,6R)-6-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]benzenesulfonamide;N-[(3S,6R)-6-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-1,4-dioxo-1-(2-propan-2-ylpiperidin-1-yl)heptan-3-yl]-4-methylpentanamide;N-[(3S,6R)-6-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-1,4-dioxo-1-[(2R)-2-(trifluoromethyl)piperidin-1-yl]heptan-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]-2-(oxan-4-yl)acetamide?
(2S)-N-[(1S,4R)-1-(1,3-benzoxazol-2-ylamino)-4-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-2-oxopentyl]-2-methylpiperidine-1-carboxamide;2-cyclopropyl-N-[(3S,6R)-6-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]ethanesulfonamide;N-[(3S,6R)-6-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]benzenesulfonamide;N-[(3S,6R)-6-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-1,4-dioxo-1-(2-propan-2-ylpiperidin-1-yl)heptan-3-yl]-4-methylpentanamide;N-[(3S,6R)-6-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-1,4-dioxo-1-[(2R)-2-(trifluoromethyl)piperidin-1-yl]heptan-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]-2-(oxan-4-yl)acetamide has a molecular weight of 3286.02 g/mol, XLogP of 31.23, 63 rotatable bonds, 13 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(1S,4R)-1-(1,3-benzoxazol-2-ylamino)-4-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-2-oxopentyl]-2-methylpiperidine-1-carboxamide;2-cyclopropyl-N-[(3S,6R)-6-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]ethanesulfonamide;N-[(3S,6R)-6-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]benzenesulfonamide;N-[(3S,6R)-6-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-1,4-dioxo-1-(2-propan-2-ylpiperidin-1-yl)heptan-3-yl]-4-methylpentanamide;N-[(3S,6R)-6-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-1,4-dioxo-1-[(2R)-2-(trifluoromethyl)piperidin-1-yl]heptan-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]-2-(oxan-4-yl)acetamide is sourced from PubChem (CID 160923347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).