N-[(2S)-1-[[(1S)-1-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]ethyl]amino]-4-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxobutan-2-yl]-1-methylimidazole-4-carboxamide;N-[(2S)-1-[[(1S)-1-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]ethyl]amino]-4-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxobutan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide;(2S)-N-[(1S)-1-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]ethyl]-4-[(2S)-2-methylpiperidin-1-yl]-4-oxo-2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)amino]butanamide;N-[(2S)-1-[[(1S)-1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]ethyl]amino]-4-[(3S)-3-methylmorpholin-4-yl]-1,4-dioxobutan-2-yl]-4-methylpentanamide;N-[(2S)-1-[[(1S)-1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]ethyl]amino]-4-[(2R)-2-methylpiperidin-1-yl]-1,4-dioxobutan-2-yl]-4-methylpentanamide

C133H172F8N30O17 — CID 161246082

IUPACN-[(2S)-1-[[(1S)-1-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]ethyl]amino]-4-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxobutan-2-yl]-1-methylimidazole-4-carboxamide;N-[(2S)-1-[[(1S)-1-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]ethyl]amino]-4-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxobutan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide;(2S)-N-[(1S)-1-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]ethyl]-4-[(2S)-2-methylpiperidin-1-yl]-4-oxo-2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)amino]butanamide;N-[(2S)-1-[[(1S)-1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]ethyl]amino]-4-[(3S)-3-methylmorpholin-4-yl]-1,4-dioxobutan-2-yl]-4-methylpentanamide;N-[(2S)-1-[[(1S)-1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]ethyl]amino]-4-[(2R)-2-methylpiperidin-1-yl]-1,4-dioxobutan-2-yl]-4-methylpentanamide
SMILESCC(C)c1noc(N[C@@H](CC(=O)N2CCCC[C@@H]2C)C(=O)N[C@@H](C)c2ncc(-c3ccc(F)cc3F)[nH]2)n1.C[C@H](NC(=O)[C@H](CC(=O)N1CCCC[C@@H]1C)NC(=O)c1cn(C)cn1)c1ncc(-c2ccc(F)cc2F)[nH]1.Cc1cc(C(=O)N[C@@H](CC(=O)N2CCCC[C@@H]2C)C(=O)N[C@@H](C)c2ncc(-c3ccc(F)cc3F)[nH]2)no1.Cc1ccc(-c2cnc([C@H](C)NC(=O)[C@H](CC(=O)N3CCCC[C@H]3C)NC(=O)CCC(C)C)[nH]2)c(F)c1.Cc1ccc(-c2cnc([C@H](C)NC(=O)[C@H](CC(=O)N3CCOC[C@@H]3C)NC(=O)CCC(C)C)[nH]2)c(F)c1
InChIInChI=1S/C28H40FN5O3.C27H38FN5O4.C26H33F2N7O3.C26H31F2N7O3.C26H30F2N6O4/c1-17(2)9-12-25(35)32-23(15-26(36)34-13-7-6-8-19(34)4)28(37)31-20(5)27-30-16-24(33-27)21-11-10-18(3)14-22(21)29;1-16(2)6-9-24(34)31-22(13-25(35)33-10-11-37-15-18(33)4)27(36)30-19(5)26-29-14-23(32-26)20-8-7-17(3)12-21(20)28;1-14(2)23-33-26(38-34-23)32-20(12-22(36)35-10-6-5-7-15(35)3)25(37)30-16(4)24-29-13-21(31-24)18-9-8-17(27)11-19(18)28;1-15-6-4-5-9-35(15)23(36)11-20(33-26(38)22-13-34(3)14-30-22)25(37)31-16(2)24-29-12-21(32-24)18-8-7-17(27)10-19(18)28;1-14-6-4-5-9-34(14)23(35)12-20(32-26(37)21-10-15(2)38-33-21)25(36)30-16(3)24-29-13-22(31-24)18-8-7-17(27)11-19(18)28/h10-11,14,16-17,19-20,23H,6-9,12-13,15H2,1-5H3,(H,30,33)(H,31,37)(H,32,35);7-8,12,14,16,18-19,22H,6,9-11,13,15H2,1-5H3,(H,29,32)(H,30,36)(H,31,34);8-9,11,13-16,20H,5-7,10,12H2,1-4H3,(H,29,31)(H,30,37)(H,32,33,34);7-8,10,12-16,20H,4-6,9,11H2,1-3H3,(H,29,32)(H,31,37)(H,33,38);7-8,10-11,13-14,16,20H,4-6,9,12H2,1-3H3,(H,29,31)(H,30,36)(H,32,37)/t19-,20+,23+;18-,19-,22-;2*15-,16-,20-;14-,16-,20-/m10000/s1
InChIKeyVAQUSQZRTHANMQ-KFWMBJSISA-N
MW2615.02 g/mol
LogP18.26
Rot. Bonds45

About N-[(2S)-1-[[(1S)-1-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]ethyl]amino]-4-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxobutan-2-yl]-1-methylimidazole-4-carboxamide;N-[(2S)-1-[[(1S)-1-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]ethyl]amino]-4-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxobutan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide;(2S)-N-[(1S)-1-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]ethyl]-4-[(2S)-2-methylpiperidin-1-yl]-4-oxo-2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)amino]butanamide;N-[(2S)-1-[[(1S)-1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]ethyl]amino]-4-[(3S)-3-methylmorpholin-4-yl]-1,4-dioxobutan-2-yl]-4-methylpentanamide;N-[(2S)-1-[[(1S)-1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]ethyl]amino]-4-[(2R)-2-methylpiperidin-1-yl]-1,4-dioxobutan-2-yl]-4-methylpentanamide

N-[(2S)-1-[[(1S)-1-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]ethyl]amino]-4-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxobutan-2-yl]-1-methylimidazole-4-carboxamide;N-[(2S)-1-[[(1S)-1-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]ethyl]amino]-4-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxobutan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide;(2S)-N-[(1S)-1-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]ethyl]-4-[(2S)-2-methylpiperidin-1-yl]-4-oxo-2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)amino]butanamide;N-[(2S)-1-[[(1S)-1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]ethyl]amino]-4-[(3S)-3-methylmorpholin-4-yl]-1,4-dioxobutan-2-yl]-4-methylpentanamide;N-[(2S)-1-[[(1S)-1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]ethyl]amino]-4-[(2R)-2-methylpiperidin-1-yl]-1,4-dioxobutan-2-yl]-4-methylpentanamide (PubChem CID 161246082) has the molecular formula C133H172F8N30O17 and a molecular weight of 2615.02 g/mol. Its IUPAC name is N-[(2S)-1-[[(1S)-1-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]ethyl]amino]-4-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxobutan-2-yl]-1-methylimidazole-4-carboxamide;N-[(2S)-1-[[(1S)-1-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]ethyl]amino]-4-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxobutan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide;(2S)-N-[(1S)-1-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]ethyl]-4-[(2S)-2-methylpiperidin-1-yl]-4-oxo-2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)amino]butanamide;N-[(2S)-1-[[(1S)-1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]ethyl]amino]-4-[(3S)-3-methylmorpholin-4-yl]-1,4-dioxobutan-2-yl]-4-methylpentanamide;N-[(2S)-1-[[(1S)-1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]ethyl]amino]-4-[(2R)-2-methylpiperidin-1-yl]-1,4-dioxobutan-2-yl]-4-methylpentanamide.

Molecular Properties

Compound NameN-[(2S)-1-[[(1S)-1-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]ethyl]amino]-4-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxobutan-2-yl]-1-methylimidazole-4-carboxamide;N-[(2S)-1-[[(1S)-1-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]ethyl]amino]-4-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxobutan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide;(2S)-N-[(1S)-1-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]ethyl]-4-[(2S)-2-methylpiperidin-1-yl]-4-oxo-2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)amino]butanamide;N-[(2S)-1-[[(1S)-1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]ethyl]amino]-4-[(3S)-3-methylmorpholin-4-yl]-1,4-dioxobutan-2-yl]-4-methylpentanamide;N-[(2S)-1-[[(1S)-1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]ethyl]amino]-4-[(2R)-2-methylpiperidin-1-yl]-1,4-dioxobutan-2-yl]-4-methylpentanamide
PubChem CID161246082
Molecular FormulaC133H172F8N30O17
Molecular Weight2615.02 g/mol
Exact Mass2613.34
IUPAC NameN-[(2S)-1-[[(1S)-1-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]ethyl]amino]-4-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxobutan-2-yl]-1-methylimidazole-4-carboxamide;N-[(2S)-1-[[(1S)-1-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]ethyl]amino]-4-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxobutan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide;(2S)-N-[(1S)-1-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]ethyl]-4-[(2S)-2-methylpiperidin-1-yl]-4-oxo-2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)amino]butanamide;N-[(2S)-1-[[(1S)-1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]ethyl]amino]-4-[(3S)-3-methylmorpholin-4-yl]-1,4-dioxobutan-2-yl]-4-methylpentanamide;N-[(2S)-1-[[(1S)-1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]ethyl]amino]-4-[(2R)-2-methylpiperidin-1-yl]-1,4-dioxobutan-2-yl]-4-methylpentanamide
SMILESCC(C)c1noc(N[C@@H](CC(=O)N2CCCC[C@@H]2C)C(=O)N[C@@H](C)c2ncc(-c3ccc(F)cc3F)[nH]2)n1.C[C@H](NC(=O)[C@H](CC(=O)N1CCCC[C@@H]1C)NC(=O)c1cn(C)cn1)c1ncc(-c2ccc(F)cc2F)[nH]1.Cc1cc(C(=O)N[C@@H](CC(=O)N2CCCC[C@@H]2C)C(=O)N[C@@H](C)c2ncc(-c3ccc(F)cc3F)[nH]2)no1.Cc1ccc(-c2cnc([C@H](C)NC(=O)[C@H](CC(=O)N3CCCC[C@H]3C)NC(=O)CCC(C)C)[nH]2)c(F)c1.Cc1ccc(-c2cnc([C@H](C)NC(=O)[C@H](CC(=O)N3CCOC[C@@H]3C)NC(=O)CCC(C)C)[nH]2)c(F)c1
InChIInChI=1S/C28H40FN5O3.C27H38FN5O4.C26H33F2N7O3.C26H31F2N7O3.C26H30F2N6O4/c1-17(2)9-12-25(35)32-23(15-26(36)34-13-7-6-8-19(34)4)28(37)31-20(5)27-30-16-24(33-27)21-11-10-18(3)14-22(21)29;1-16(2)6-9-24(34)31-22(13-25(35)33-10-11-37-15-18(33)4)27(36)30-19(5)26-29-14-23(32-26)20-8-7-17(3)12-21(20)28;1-14(2)23-33-26(38-34-23)32-20(12-22(36)35-10-6-5-7-15(35)3)25(37)30-16(4)24-29-13-21(31-24)18-9-8-17(27)11-19(18)28;1-15-6-4-5-9-35(15)23(36)11-20(33-26(38)22-13-34(3)14-30-22)25(37)31-16(2)24-29-12-21(32-24)18-8-7-17(27)10-19(18)28;1-14-6-4-5-9-34(14)23(35)12-20(32-26(37)21-10-15(2)38-33-21)25(36)30-16(3)24-29-13-22(31-24)18-8-7-17(27)11-19(18)28/h10-11,14,16-17,19-20,23H,6-9,12-13,15H2,1-5H3,(H,30,33)(H,31,37)(H,32,35);7-8,12,14,16,18-19,22H,6,9-11,13,15H2,1-5H3,(H,29,32)(H,30,36)(H,31,34);8-9,11,13-16,20H,5-7,10,12H2,1-4H3,(H,29,31)(H,30,37)(H,32,33,34);7-8,10,12-16,20H,4-6,9,11H2,1-3H3,(H,29,32)(H,31,37)(H,33,38);7-8,10-11,13-14,16,20H,4-6,9,12H2,1-3H3,(H,29,31)(H,30,36)(H,32,37)/t19-,20+,23+;18-,19-,22-;2*15-,16-,20-;14-,16-,20-/m10000/s1
InChIKeyVAQUSQZRTHANMQ-KFWMBJSISA-N
XLogP18.26
TPSA610.88 Ų
H-Bond Donors15
H-Bond Acceptors28
Rotatable Bonds45
Heavy Atoms188
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002615.02
LogP ≤ 518.26
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1028

Analyze N-[(2S)-1-[[(1S)-1-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]ethyl]amino]-4-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxobutan-2-yl]-1-methylimidazole-4-carboxamide;N-[(2S)-1-[[(1S)-1-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]ethyl]amino]-4-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxobutan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide;(2S)-N-[(1S)-1-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]ethyl]-4-[(2S)-2-methylpiperidin-1-yl]-4-oxo-2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)amino]butanamide;N-[(2S)-1-[[(1S)-1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]ethyl]amino]-4-[(3S)-3-methylmorpholin-4-yl]-1,4-dioxobutan-2-yl]-4-methylpentanamide;N-[(2S)-1-[[(1S)-1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]ethyl]amino]-4-[(2R)-2-methylpiperidin-1-yl]-1,4-dioxobutan-2-yl]-4-methylpentanamide with MolForge

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Related Compounds

(2S)-N-[2-[6-(3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]pyrimidin-4-yl]-2-[3-methyl-2,6-dioxo-1-(2-oxobutyl)purin-7-yl]propanamide;(2S)-N-[6-(5,6-dimethyl-3-pyridinyl)pyrazin-2-yl]-2-[3-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-2,6-dioxopurin-7-yl]propanamide;N-[6-(5,6-dimethyl-3-pyridinyl)-2-pyridinyl]-2-[3-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-2,6-dioxopurin-7-yl]acetamide;(2S)-2-[1-(isocyanomethyl)-3-methyl-2,6-dioxopurin-7-yl]-N-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]pyrimidin-5-yl]pyrazin-2-yl]propanamide;2-[3-methyl-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2,6-dioxopurin-7-yl]-N-[6-[5-methyl-6-(trifluoromethyl)-3-pyridinyl]pyrazin-2-yl]acetamide;2-[3-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-2,6-dioxopurin-7-yl]-N-[6-[5-methyl-6-(trifluoromethyl)-3-pyridinyl]pyrazin-2-yl]acetamide
CID 157450931
N-[5-(4-tert-butylpiperidin-1-yl)-2-pyridinyl]-2-[3-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-2,6-dioxopurin-7-yl]acetamide;(2S)-N-[6-[6-(1,1-difluoroethyl)-5-methyl-3-pyridinyl]pyrazin-2-yl]-2-[3-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-2,6-dioxopurin-7-yl]propanamide;(2S)-N-[6-[6-(1,1-difluoroethyl)-5-methyl-3-pyridinyl]-2-pyridinyl]-2-[3-methyl-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2,6-dioxopurin-7-yl]propanamide;N-[6-[6-(1,1-difluoroethyl)-5-methyl-3-pyridinyl]-2-pyridinyl]-2-[3-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-2,6-dioxopurin-7-yl]acetamide;bis((2S)-2-[1-(isocyanomethyl)-3-methyl-2,6-dioxopurin-7-yl]-N-[6-[2-[(2S)-2-methylpyrrolidin-1-yl]pyrimidin-5-yl]-2-pyridinyl]propanamide)
CID 158253336
N-[5-(4-tert-butylpiperidin-1-yl)-2-pyridinyl]-2-[3-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-2,6-dioxopurin-7-yl]acetamide;N-[6-[6-(1,1-difluoroethyl)-5-methyl-3-pyridinyl]-2-pyridinyl]-2-[3-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-2,6-dioxopurin-7-yl]acetamide;bis((2S)-2-[1-(isocyanomethyl)-3-methyl-2,6-dioxopurin-7-yl]-N-[6-[2-[(2S)-2-methylpyrrolidin-1-yl]pyrimidin-5-yl]-2-pyridinyl]propanamide);(2S)-2-[3-methyl-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2,6-dioxopurin-7-yl]-N-[6-[5-methyl-6-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]propanamide;(2S)-2-[3-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-2,6-dioxopurin-7-yl]-N-[6-[5-methyl-6-(trifluoromethyl)-3-pyridinyl]pyrazin-2-yl]propanamide
CID 158651819
4-[8-tert-butyl-6-(4,4-difluorocyclohexyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethyl-1-(3H-pyrrol-5-yl)piperazin-2-one;[4-[8-tert-butyl-6-(3-fluoro-4-methylphenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(2-methyl-1H-imidazol-5-yl)methanone;[8-tert-butyl-6-(3-fluoro-4-methylphenyl)imidazo[1,2-b]pyridazin-2-yl]-[2,2-dimethyl-4-(5-methyl-1,3,4-oxadiazole-2-carbonyl)piperazin-1-yl]methanone;[4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 158731760
(2S)-N-[6-[5-(3-azabicyclo[3.1.0]hexan-3-yl)pyrazin-2-yl]-2-pyridinyl]-2-[3-methyl-2,6-dioxo-1-(2-oxobutyl)purin-7-yl]propanamide;2-[1-(cyanomethyl)-3-methyl-2,6-dioxopurin-7-yl]-N-[6-[2-(1,1-difluoroethyl)pyrimidin-5-yl]pyrazin-2-yl]propanamide;(2S)-N-[6-[4-(1,1-difluoroethyl)phenyl]-2-pyridinyl]-2-[3-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-2,6-dioxopurin-7-yl]propanamide;N-[4-ethyl-6-(trifluoromethyl)-2-pyridinyl]-2-[3-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-2,6-dioxopurin-7-yl]acetamide;(2S)-2-[3-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-2,6-dioxopurin-7-yl]-N-[2-[2-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]-1,2-dihydropyrimidin-5-yl]-1,2-dihydropyrimidin-6-yl]propanamide
CID 159303395
(2S)-N-[2-[6-(3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]pyrimidin-4-yl]-2-[3-methyl-2,6-dioxo-1-(2-oxopropyl)purin-7-yl]propanamide;N-[6-[6-(1,1-difluoroethyl)-5-methyl-3-pyridinyl]-2-pyridinyl]-2-[3-methyl-2,6-dioxo-1-(2-oxobutyl)purin-7-yl]acetamide;N-[6-[6-(1,1-difluoroethyl)-5-methyl-3-pyridinyl]-2-pyridinyl]-2-[3-methyl-2,6-dioxo-1-(2-oxopropyl)purin-7-yl]acetamide;(2S)-2-[1-(isocyanomethyl)-3-methyl-2,6-dioxopurin-7-yl]-N-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]pyrimidin-5-yl]-2-pyridinyl]propanamide;(2S)-2-[3-methyl-1-(1,2-oxazol-3-ylmethyl)-2,6-dioxopurin-7-yl]-N-[6-[5-methyl-6-(trifluoromethyl)-3-pyridinyl]pyrazin-2-yl]propanamide;(2S)-2-[3-methyl-1-(1,2-oxazol-3-ylmethyl)-2,6-dioxopurin-7-yl]-N-[6-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]propanamide
CID 159679436
(7S)-7-amino-7-[5-(2-fluorophenyl)-1H-imidazol-2-yl]-1-(1,2-oxazol-3-yl)heptan-1-one;(E,7S)-7-amino-7-[5-(2-fluorophenyl)-1H-imidazol-2-yl]-1-(1,2-oxazol-3-yl)hept-4-en-1-one;tert-butyl 5-(2-fluorophenyl)-2-[(1S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]but-3-enyl]imidazole-1-carboxylate;tert-butyl 5-(2-fluorophenyl)-2-[(E,1S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]-7-(1,2-oxazol-3-yl)-7-oxohept-3-enyl]imidazole-1-carboxylate;methane;1-(1,2-oxazol-3-yl)pent-4-en-1-one;sulfane;2,2,2-trifluoroacetaldehyde
CID 160187751
CID 160221409
CID 160221409
(2S)-N-[2-[6-(3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]pyrimidin-4-yl]-2-[3-methyl-2,6-dioxo-1-(2-oxopropyl)purin-7-yl]propanamide;N-[6-[6-(1,1-difluoroethyl)-5-methyl-3-pyridinyl]-2-pyridinyl]-2-[3-methyl-2,6-dioxo-1-(2-oxobutyl)purin-7-yl]acetamide;N-[6-[6-(1,1-difluoroethyl)-5-methyl-3-pyridinyl]-2-pyridinyl]-2-[3-methyl-2,6-dioxo-1-(2-oxopropyl)purin-7-yl]acetamide;(2S)-N-[6-[5-(1,1-difluoroethyl)-6-methyl-3-pyridinyl]-2-pyridinyl]-2-[3-methyl-1-(1,2-oxazol-3-ylmethyl)-2,6-dioxopurin-7-yl]propanamide;(2S)-2-[1-(isocyanomethyl)-3-methyl-2,6-dioxopurin-7-yl]-N-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]pyrimidin-5-yl]-2-pyridinyl]propanamide
CID 161036088
(2S)-N-[6-[6-(3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]pyrazin-2-yl]-2-[1-(isocyanomethyl)-3-methyl-2,6-dioxopurin-7-yl]propanamide;(2S)-N-[6-[6-(3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]-2-pyridinyl]-2-[3-methyl-2,6-dioxo-1-(2-oxopropyl)purin-7-yl]propanamide;N-[6-[6-(1,1-difluoroethyl)-5-methyl-3-pyridinyl]-2-pyridinyl]-2-[3-methyl-1-[(3-methyl-1,2-oxazol-5-yl)methyl]-2,6-dioxopurin-7-yl]acetamide;N-[6-[6-(1,1-difluoroethyl)-5-methyl-3-pyridinyl]-2-pyridinyl]-2-[3-methyl-1-(1,2-oxazol-3-ylmethyl)-2,6-dioxopurin-7-yl]acetamide;(2S)-2-[3-methyl-2,6-dioxo-1-(2-oxobutyl)purin-7-yl]-N-[6-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]propanamide;(2S)-2-[3-methyl-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2,6-dioxopurin-7-yl]-N-[6-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]propanamide
CID 161188975
(2S)-N-[6-[6-(3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]pyrazin-2-yl]-2-[1-(isocyanomethyl)-3-methyl-2,6-dioxopurin-7-yl]propanamide;(2S)-N-[6-[6-(3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]-2-pyridinyl]-2-[3-methyl-2,6-dioxo-1-(2-oxopropyl)purin-7-yl]propanamide;(2S)-N-[6-[5-(1,1-difluoroethyl)-6-methyl-3-pyridinyl]-2-pyridinyl]-2-[3-methyl-2,6-dioxo-1-(2-oxobutyl)purin-7-yl]propanamide;(2S)-N-[6-[5-(1,1-difluoroethyl)-6-methyl-3-pyridinyl]-2-pyridinyl]-2-[3-methyl-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2,6-dioxopurin-7-yl]propanamide;N-[6-[6-(1,1-difluoroethyl)-5-methyl-3-pyridinyl]-2-pyridinyl]-2-[3-methyl-1-[(3-methyl-1,2-oxazol-5-yl)methyl]-2,6-dioxopurin-7-yl]acetamide;N-[6-[6-(1,1-difluoroethyl)-5-methyl-3-pyridinyl]-2-pyridinyl]-2-[3-methyl-1-(1,2-oxazol-3-ylmethyl)-2,6-dioxopurin-7-yl]acetamide
CID 161302933
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-[(2S)-1-[[(1S)-1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]ethyl]amino]-1,4-dioxo-4-[(2R)-2-phenylpyrrolidin-1-yl]butan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide;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;5-methyl-N-[(3S,6R)-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxo-6-(5-phenyl-1H-imidazol-2-yl)heptan-3-yl]-1,2-oxazole-3-carboxamide
CID 161957398

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[[(1S)-1-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]ethyl]amino]-4-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxobutan-2-yl]-1-methylimidazole-4-carboxamide;N-[(2S)-1-[[(1S)-1-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]ethyl]amino]-4-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxobutan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide;(2S)-N-[(1S)-1-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]ethyl]-4-[(2S)-2-methylpiperidin-1-yl]-4-oxo-2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)amino]butanamide;N-[(2S)-1-[[(1S)-1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]ethyl]amino]-4-[(3S)-3-methylmorpholin-4-yl]-1,4-dioxobutan-2-yl]-4-methylpentanamide;N-[(2S)-1-[[(1S)-1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]ethyl]amino]-4-[(2R)-2-methylpiperidin-1-yl]-1,4-dioxobutan-2-yl]-4-methylpentanamide?
The IUPAC name of N-[(2S)-1-[[(1S)-1-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]ethyl]amino]-4-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxobutan-2-yl]-1-methylimidazole-4-carboxamide;N-[(2S)-1-[[(1S)-1-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]ethyl]amino]-4-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxobutan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide;(2S)-N-[(1S)-1-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]ethyl]-4-[(2S)-2-methylpiperidin-1-yl]-4-oxo-2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)amino]butanamide;N-[(2S)-1-[[(1S)-1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]ethyl]amino]-4-[(3S)-3-methylmorpholin-4-yl]-1,4-dioxobutan-2-yl]-4-methylpentanamide;N-[(2S)-1-[[(1S)-1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]ethyl]amino]-4-[(2R)-2-methylpiperidin-1-yl]-1,4-dioxobutan-2-yl]-4-methylpentanamide (CID 161246082) is N-[(2S)-1-[[(1S)-1-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]ethyl]amino]-4-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxobutan-2-yl]-1-methylimidazole-4-carboxamide;N-[(2S)-1-[[(1S)-1-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]ethyl]amino]-4-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxobutan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide;(2S)-N-[(1S)-1-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]ethyl]-4-[(2S)-2-methylpiperidin-1-yl]-4-oxo-2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)amino]butanamide;N-[(2S)-1-[[(1S)-1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]ethyl]amino]-4-[(3S)-3-methylmorpholin-4-yl]-1,4-dioxobutan-2-yl]-4-methylpentanamide;N-[(2S)-1-[[(1S)-1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]ethyl]amino]-4-[(2R)-2-methylpiperidin-1-yl]-1,4-dioxobutan-2-yl]-4-methylpentanamide.
What is the SMILES notation for N-[(2S)-1-[[(1S)-1-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]ethyl]amino]-4-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxobutan-2-yl]-1-methylimidazole-4-carboxamide;N-[(2S)-1-[[(1S)-1-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]ethyl]amino]-4-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxobutan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide;(2S)-N-[(1S)-1-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]ethyl]-4-[(2S)-2-methylpiperidin-1-yl]-4-oxo-2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)amino]butanamide;N-[(2S)-1-[[(1S)-1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]ethyl]amino]-4-[(3S)-3-methylmorpholin-4-yl]-1,4-dioxobutan-2-yl]-4-methylpentanamide;N-[(2S)-1-[[(1S)-1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]ethyl]amino]-4-[(2R)-2-methylpiperidin-1-yl]-1,4-dioxobutan-2-yl]-4-methylpentanamide?
The canonical SMILES for N-[(2S)-1-[[(1S)-1-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]ethyl]amino]-4-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxobutan-2-yl]-1-methylimidazole-4-carboxamide;N-[(2S)-1-[[(1S)-1-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]ethyl]amino]-4-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxobutan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide;(2S)-N-[(1S)-1-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]ethyl]-4-[(2S)-2-methylpiperidin-1-yl]-4-oxo-2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)amino]butanamide;N-[(2S)-1-[[(1S)-1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]ethyl]amino]-4-[(3S)-3-methylmorpholin-4-yl]-1,4-dioxobutan-2-yl]-4-methylpentanamide;N-[(2S)-1-[[(1S)-1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]ethyl]amino]-4-[(2R)-2-methylpiperidin-1-yl]-1,4-dioxobutan-2-yl]-4-methylpentanamide is CC(C)c1noc(N[C@@H](CC(=O)N2CCCC[C@@H]2C)C(=O)N[C@@H](C)c2ncc(-c3ccc(F)cc3F)[nH]2)n1.C[C@H](NC(=O)[C@H](CC(=O)N1CCCC[C@@H]1C)NC(=O)c1cn(C)cn1)c1ncc(-c2ccc(F)cc2F)[nH]1.Cc1cc(C(=O)N[C@@H](CC(=O)N2CCCC[C@@H]2C)C(=O)N[C@@H](C)c2ncc(-c3ccc(F)cc3F)[nH]2)no1.Cc1ccc(-c2cnc([C@H](C)NC(=O)[C@H](CC(=O)N3CCCC[C@H]3C)NC(=O)CCC(C)C)[nH]2)c(F)c1.Cc1ccc(-c2cnc([C@H](C)NC(=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-[(2S)-1-[[(1S)-1-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]ethyl]amino]-4-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxobutan-2-yl]-1-methylimidazole-4-carboxamide;N-[(2S)-1-[[(1S)-1-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]ethyl]amino]-4-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxobutan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide;(2S)-N-[(1S)-1-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]ethyl]-4-[(2S)-2-methylpiperidin-1-yl]-4-oxo-2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)amino]butanamide;N-[(2S)-1-[[(1S)-1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]ethyl]amino]-4-[(3S)-3-methylmorpholin-4-yl]-1,4-dioxobutan-2-yl]-4-methylpentanamide;N-[(2S)-1-[[(1S)-1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]ethyl]amino]-4-[(2R)-2-methylpiperidin-1-yl]-1,4-dioxobutan-2-yl]-4-methylpentanamide?
The InChIKey is VAQUSQZRTHANMQ-KFWMBJSISA-N. The full InChI is InChI=1S/C28H40FN5O3.C27H38FN5O4.C26H33F2N7O3.C26H31F2N7O3.C26H30F2N6O4/c1-17(2)9-12-25(35)32-23(15-26(36)34-13-7-6-8-19(34)4)28(37)31-20(5)27-30-16-24(33-27)21-11-10-18(3)14-22(21)29;1-16(2)6-9-24(34)31-22(13-25(35)33-10-11-37-15-18(33)4)27(36)30-19(5)26-29-14-23(32-26)20-8-7-17(3)12-21(20)28;1-14(2)23-33-26(38-34-23)32-20(12-22(36)35-10-6-5-7-15(35)3)25(37)30-16(4)24-29-13-21(31-24)18-9-8-17(27)11-19(18)28;1-15-6-4-5-9-35(15)23(36)11-20(33-26(38)22-13-34(3)14-30-22)25(37)31-16(2)24-29-12-21(32-24)18-8-7-17(27)10-19(18)28;1-14-6-4-5-9-34(14)23(35)12-20(32-26(37)21-10-15(2)38-33-21)25(36)30-16(3)24-29-13-22(31-24)18-8-7-17(27)11-19(18)28/h10-11,14,16-17,19-20,23H,6-9,12-13,15H2,1-5H3,(H,30,33)(H,31,37)(H,32,35);7-8,12,14,16,18-19,22H,6,9-11,13,15H2,1-5H3,(H,29,32)(H,30,36)(H,31,34);8-9,11,13-16,20H,5-7,10,12H2,1-4H3,(H,29,31)(H,30,37)(H,32,33,34);7-8,10,12-16,20H,4-6,9,11H2,1-3H3,(H,29,32)(H,31,37)(H,33,38);7-8,10-11,13-14,16,20H,4-6,9,12H2,1-3H3,(H,29,31)(H,30,36)(H,32,37)/t19-,20+,23+;18-,19-,22-;2*15-,16-,20-;14-,16-,20-/m10000/s1.
What are the key properties of N-[(2S)-1-[[(1S)-1-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]ethyl]amino]-4-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxobutan-2-yl]-1-methylimidazole-4-carboxamide;N-[(2S)-1-[[(1S)-1-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]ethyl]amino]-4-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxobutan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide;(2S)-N-[(1S)-1-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]ethyl]-4-[(2S)-2-methylpiperidin-1-yl]-4-oxo-2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)amino]butanamide;N-[(2S)-1-[[(1S)-1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]ethyl]amino]-4-[(3S)-3-methylmorpholin-4-yl]-1,4-dioxobutan-2-yl]-4-methylpentanamide;N-[(2S)-1-[[(1S)-1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]ethyl]amino]-4-[(2R)-2-methylpiperidin-1-yl]-1,4-dioxobutan-2-yl]-4-methylpentanamide?
N-[(2S)-1-[[(1S)-1-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]ethyl]amino]-4-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxobutan-2-yl]-1-methylimidazole-4-carboxamide;N-[(2S)-1-[[(1S)-1-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]ethyl]amino]-4-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxobutan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide;(2S)-N-[(1S)-1-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]ethyl]-4-[(2S)-2-methylpiperidin-1-yl]-4-oxo-2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)amino]butanamide;N-[(2S)-1-[[(1S)-1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]ethyl]amino]-4-[(3S)-3-methylmorpholin-4-yl]-1,4-dioxobutan-2-yl]-4-methylpentanamide;N-[(2S)-1-[[(1S)-1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]ethyl]amino]-4-[(2R)-2-methylpiperidin-1-yl]-1,4-dioxobutan-2-yl]-4-methylpentanamide has a molecular weight of 2615.02 g/mol, XLogP of 18.26, 45 rotatable bonds, 15 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-[[(1S)-1-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]ethyl]amino]-4-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxobutan-2-yl]-1-methylimidazole-4-carboxamide;N-[(2S)-1-[[(1S)-1-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]ethyl]amino]-4-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxobutan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide;(2S)-N-[(1S)-1-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]ethyl]-4-[(2S)-2-methylpiperidin-1-yl]-4-oxo-2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)amino]butanamide;N-[(2S)-1-[[(1S)-1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]ethyl]amino]-4-[(3S)-3-methylmorpholin-4-yl]-1,4-dioxobutan-2-yl]-4-methylpentanamide;N-[(2S)-1-[[(1S)-1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]ethyl]amino]-4-[(2R)-2-methylpiperidin-1-yl]-1,4-dioxobutan-2-yl]-4-methylpentanamide is sourced from PubChem (CID 161246082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).