N-[4-chloro-5,8-dimethyl-3-[(3R)-1-prop-2-enoylazepan-3-yl]-6,7-dihydroimidazo[4,5-g]quinoxalin-2-yl]benzamide;N-[4-chloro-8-methyl-6-oxo-3-[(3R)-1-prop-2-enoylazepan-3-yl]-5,7-dihydroimidazo[4,5-g]quinoxalin-2-yl]-2-methylpyridine-4-carboxamide;N-[4-chloro-8-methyl-7-oxo-3-[(3R)-1-prop-2-enoylazepan-3-yl]imidazo[4,5-g][1,4]benzoxazin-2-yl]-2-methylpyridine-4-carboxamide;N-[4-chloro-8-methyl-3-[(3R)-1-prop-2-enoylazepan-3-yl]-6,7-dihydroimidazo[4,5-g][1,4]benzoxazin-2-yl]benzamide;N-[9-chloro-7-oxo-1-[(3R)-1-prop-2-enoylazepan-3-yl]-8H-imidazo[4,5-g][1,4]benzoxazin-2-yl]-2-methylpyridine-4-carboxamide;N-[4-chloro-7-oxo-3-[(3R)-1-prop-2-enoylazepan-3-yl]-8H-pyrano[3,2-f]benzimidazol-2-yl]-2-methylpyridine-4-carboxamide;N-[8-chloro-6-[(3R)-1-prop-2-enoylazepan-3-yl]-10,13,16-trioxa-4,6-diazatricyclo[7.7.0.03,7]hexadeca-1(9),2,4,7-tetraen-5-yl]-2-methylpyridine-4-carboxamide;N-[7,7-difluoro-9,10-dimethyl-1-[(3R)-1-prop-2-enoylazepan-3-yl]-6,8-dihydroimidazo[4,5-h][1,5]benzoxazepin-2-yl]benzamide;N-[2,2-difluoro-8-methyl-7-[(3R)-1-[(E)-4-pyrrolidin-1-ylbut-2-enoyl]azepan-3-yl]-[1,3]dioxolo[4,5-f]benzimidazol-6-yl]benzamide;N-[4-methoxy-3-[(3R)-1-prop-2-enoylazepan-3-yl]-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;2-methyl-N-[19-methyl-17-[(3R)-1-prop-2-enoylazepan-3-yl]-2,5,8,11-tetraoxa-15,17-diazatricyclo[10.7.0.014,18]nonadeca-1(12),13,15,18-tetraen-16-yl]pyridine-4-carboxamide

C298H323Cl7F7N59O43 — CID 158039889

IUPACN-[4-chloro-5,8-dimethyl-3-[(3R)-1-prop-2-enoylazepan-3-yl]-6,7-dihydroimidazo[4,5-g]quinoxalin-2-yl]benzamide;N-[4-chloro-8-methyl-6-oxo-3-[(3R)-1-prop-2-enoylazepan-3-yl]-5,7-dihydroimidazo[4,5-g]quinoxalin-2-yl]-2-methylpyridine-4-carboxamide;N-[4-chloro-8-methyl-7-oxo-3-[(3R)-1-prop-2-enoylazepan-3-yl]imidazo[4,5-g][1,4]benzoxazin-2-yl]-2-methylpyridine-4-carboxamide;N-[4-chloro-8-methyl-3-[(3R)-1-prop-2-enoylazepan-3-yl]-6,7-dihydroimidazo[4,5-g][1,4]benzoxazin-2-yl]benzamide;N-[9-chloro-7-oxo-1-[(3R)-1-prop-2-enoylazepan-3-yl]-8H-imidazo[4,5-g][1,4]benzoxazin-2-yl]-2-methylpyridine-4-carboxamide;N-[4-chloro-7-oxo-3-[(3R)-1-prop-2-enoylazepan-3-yl]-8H-pyrano[3,2-f]benzimidazol-2-yl]-2-methylpyridine-4-carboxamide;N-[8-chloro-6-[(3R)-1-prop-2-enoylazepan-3-yl]-10,13,16-trioxa-4,6-diazatricyclo[7.7.0.03,7]hexadeca-1(9),2,4,7-tetraen-5-yl]-2-methylpyridine-4-carboxamide;N-[7,7-difluoro-9,10-dimethyl-1-[(3R)-1-prop-2-enoylazepan-3-yl]-6,8-dihydroimidazo[4,5-h][1,5]benzoxazepin-2-yl]benzamide;N-[2,2-difluoro-8-methyl-7-[(3R)-1-[(E)-4-pyrrolidin-1-ylbut-2-enoyl]azepan-3-yl]-[1,3]dioxolo[4,5-f]benzimidazol-6-yl]benzamide;N-[4-methoxy-3-[(3R)-1-prop-2-enoylazepan-3-yl]-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;2-methyl-N-[19-methyl-17-[(3R)-1-prop-2-enoylazepan-3-yl]-2,5,8,11-tetraoxa-15,17-diazatricyclo[10.7.0.014,18]nonadeca-1(12),13,15,18-tetraen-16-yl]pyridine-4-carboxamide
SMILESC=CC(=O)N1CCCC[C@@H](n2c(NC(=O)c3cccc(C(F)(F)F)c3)nc3cc4c(c(OC)c32)OCCO4)C1.C=CC(=O)N1CCCC[C@@H](n2c(NC(=O)c3ccccc3)nc3cc4c(c(C)c32)N(C)CC(F)(F)CO4)C1.C=CC(=O)N1CCCC[C@@H](n2c(NC(=O)c3ccccc3)nc3cc4c(c(Cl)c32)N(C)CCN4C)C1.C=CC(=O)N1CCCC[C@@H](n2c(NC(=O)c3ccccc3)nc3cc4c(c(Cl)c32)OCCN4C)C1.C=CC(=O)N1CCCC[C@@H](n2c(NC(=O)c3ccnc(C)c3)nc3cc4c(c(C)c32)OCCOCCOCCO4)C1.C=CC(=O)N1CCCC[C@@H](n2c(NC(=O)c3ccnc(C)c3)nc3cc4c(c(Cl)c32)NC(=O)CN4C)C1.C=CC(=O)N1CCCC[C@@H](n2c(NC(=O)c3ccnc(C)c3)nc3cc4c(c(Cl)c32)NC(=O)CO4)C1.C=CC(=O)N1CCCC[C@@H](n2c(NC(=O)c3ccnc(C)c3)nc3cc4c(c(Cl)c32)OCC(=O)C4)C1.C=CC(=O)N1CCCC[C@@H](n2c(NC(=O)c3ccnc(C)c3)nc3cc4c(c(Cl)c32)OCC(=O)N4C)C1.C=CC(=O)N1CCCC[C@@H](n2c(NC(=O)c3ccnc(C)c3)nc3cc4c(c(Cl)c32)OCCOCCO4)C1.Cc1c2c(cc3nc(NC(=O)c4ccccc4)n([C@@H]4CCCCN(C(=O)/C=C/CN5CCCC5)C4)c13)OC(F)(F)O2
InChIInChI=1S/C30H33F2N5O4.C30H37N5O6.C28H31F2N5O3.C27H31ClN6O2.C27H30ClN5O5.C27H27F3N4O5.C26H28ClN7O3.C26H27ClN6O4.C26H26ClN5O4.C26H28ClN5O3.C25H25ClN6O4/c1-20-26-23(18-24-27(20)41-30(31,32)40-24)33-29(34-28(39)21-10-3-2-4-11-21)37(26)22-12-5-6-17-36(19-22)25(38)13-9-16-35-14-7-8-15-35;1-4-26(36)34-10-6-5-7-23(19-34)35-27-21(3)28-25(40-15-13-38-11-12-39-14-16-41-28)18-24(27)32-30(35)33-29(37)22-8-9-31-20(2)17-22;1-4-23(36)34-13-9-8-12-20(15-34)35-24-18(2)25-22(38-17-28(29,30)16-33(25)3)14-21(24)31-27(35)32-26(37)19-10-6-5-7-11-19;1-4-22(35)33-13-9-8-12-19(17-33)34-24-20(16-21-25(23(24)28)32(3)15-14-31(21)2)29-27(34)30-26(36)18-10-6-5-7-11-18;1-3-22(34)32-9-5-4-6-19(16-32)33-24-20(15-21-25(23(24)28)38-13-11-36-10-12-37-21)30-27(33)31-26(35)18-7-8-29-17(2)14-18;1-3-21(35)33-10-5-4-9-18(15-33)34-22-19(14-20-23(24(22)37-2)39-12-11-38-20)31-26(34)32-25(36)16-7-6-8-17(13-16)27(28,29)30;1-4-21(36)33-10-6-5-7-17(13-33)34-24-18(12-19-23(22(24)27)30-20(35)14-32(19)3)29-26(34)31-25(37)16-8-9-28-15(2)11-16;1-4-20(34)32-10-6-5-7-17(13-32)33-23-18(12-19-24(22(23)27)37-14-21(35)31(19)3)29-26(33)30-25(36)16-8-9-28-15(2)11-16;1-3-21(34)31-9-5-4-6-18(13-31)32-23-20(12-17-11-19(33)14-36-24(17)22(23)27)29-26(32)30-25(35)16-7-8-28-15(2)10-16;1-3-21(33)31-12-8-7-11-18(16-31)32-23-19(15-20-24(22(23)27)35-14-13-30(20)2)28-26(32)29-25(34)17-9-5-4-6-10-17;1-3-20(34)31-9-5-4-6-16(12-31)32-23-17(11-18-22(21(23)26)29-19(33)13-36-18)28-25(32)30-24(35)15-7-8-27-14(2)10-15/h2-4,9-11,13,18,22H,5-8,12,14-17,19H2,1H3,(H,33,34,39);4,8-9,17-18,23H,1,5-7,10-16,19H2,2-3H3,(H,32,33,37);4-7,10-11,14,20H,1,8-9,12-13,15-17H2,2-3H3,(H,31,32,37);4-7,10-11,16,19H,1,8-9,12-15,17H2,2-3H3,(H,29,30,36);3,7-8,14-15,19H,1,4-6,9-13,16H2,2H3,(H,30,31,35);3,6-8,13-14,18H,1,4-5,9-12,15H2,2H3,(H,31,32,36);4,8-9,11-12,17H,1,5-7,10,13-14H2,2-3H3,(H,30,35)(H,29,31,37);4,8-9,11-12,17H,1,5-7,10,13-14H2,2-3H3,(H,29,30,36);3,7-8,10,12,18H,1,4-6,9,11,13-14H2,2H3,(H,29,30,35);3-6,9-10,15,18H,1,7-8,11-14,16H2,2H3,(H,28,29,34);3,7-8,10-11,16H,1,4-6,9,12-13H2,2H3,(H,29,33)(H,28,30,35)/b13-9+;;;;;;;;;;/t22-;23-;20-;2*19-;18-;2*17-;2*18-;16-/m11111111111/s1
InChIKeyFIFKEXOUDNEMDF-SDYPPYAUSA-N
MW5800.39 g/mol
LogP46.96
Rot. Bonds47

About N-[4-chloro-5,8-dimethyl-3-[(3R)-1-prop-2-enoylazepan-3-yl]-6,7-dihydroimidazo[4,5-g]quinoxalin-2-yl]benzamide;N-[4-chloro-8-methyl-6-oxo-3-[(3R)-1-prop-2-enoylazepan-3-yl]-5,7-dihydroimidazo[4,5-g]quinoxalin-2-yl]-2-methylpyridine-4-carboxamide;N-[4-chloro-8-methyl-7-oxo-3-[(3R)-1-prop-2-enoylazepan-3-yl]imidazo[4,5-g][1,4]benzoxazin-2-yl]-2-methylpyridine-4-carboxamide;N-[4-chloro-8-methyl-3-[(3R)-1-prop-2-enoylazepan-3-yl]-6,7-dihydroimidazo[4,5-g][1,4]benzoxazin-2-yl]benzamide;N-[9-chloro-7-oxo-1-[(3R)-1-prop-2-enoylazepan-3-yl]-8H-imidazo[4,5-g][1,4]benzoxazin-2-yl]-2-methylpyridine-4-carboxamide;N-[4-chloro-7-oxo-3-[(3R)-1-prop-2-enoylazepan-3-yl]-8H-pyrano[3,2-f]benzimidazol-2-yl]-2-methylpyridine-4-carboxamide;N-[8-chloro-6-[(3R)-1-prop-2-enoylazepan-3-yl]-10,13,16-trioxa-4,6-diazatricyclo[7.7.0.03,7]hexadeca-1(9),2,4,7-tetraen-5-yl]-2-methylpyridine-4-carboxamide;N-[7,7-difluoro-9,10-dimethyl-1-[(3R)-1-prop-2-enoylazepan-3-yl]-6,8-dihydroimidazo[4,5-h][1,5]benzoxazepin-2-yl]benzamide;N-[2,2-difluoro-8-methyl-7-[(3R)-1-[(E)-4-pyrrolidin-1-ylbut-2-enoyl]azepan-3-yl]-[1,3]dioxolo[4,5-f]benzimidazol-6-yl]benzamide;N-[4-methoxy-3-[(3R)-1-prop-2-enoylazepan-3-yl]-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;2-methyl-N-[19-methyl-17-[(3R)-1-prop-2-enoylazepan-3-yl]-2,5,8,11-tetraoxa-15,17-diazatricyclo[10.7.0.014,18]nonadeca-1(12),13,15,18-tetraen-16-yl]pyridine-4-carboxamide

N-[4-chloro-5,8-dimethyl-3-[(3R)-1-prop-2-enoylazepan-3-yl]-6,7-dihydroimidazo[4,5-g]quinoxalin-2-yl]benzamide;N-[4-chloro-8-methyl-6-oxo-3-[(3R)-1-prop-2-enoylazepan-3-yl]-5,7-dihydroimidazo[4,5-g]quinoxalin-2-yl]-2-methylpyridine-4-carboxamide;N-[4-chloro-8-methyl-7-oxo-3-[(3R)-1-prop-2-enoylazepan-3-yl]imidazo[4,5-g][1,4]benzoxazin-2-yl]-2-methylpyridine-4-carboxamide;N-[4-chloro-8-methyl-3-[(3R)-1-prop-2-enoylazepan-3-yl]-6,7-dihydroimidazo[4,5-g][1,4]benzoxazin-2-yl]benzamide;N-[9-chloro-7-oxo-1-[(3R)-1-prop-2-enoylazepan-3-yl]-8H-imidazo[4,5-g][1,4]benzoxazin-2-yl]-2-methylpyridine-4-carboxamide;N-[4-chloro-7-oxo-3-[(3R)-1-prop-2-enoylazepan-3-yl]-8H-pyrano[3,2-f]benzimidazol-2-yl]-2-methylpyridine-4-carboxamide;N-[8-chloro-6-[(3R)-1-prop-2-enoylazepan-3-yl]-10,13,16-trioxa-4,6-diazatricyclo[7.7.0.03,7]hexadeca-1(9),2,4,7-tetraen-5-yl]-2-methylpyridine-4-carboxamide;N-[7,7-difluoro-9,10-dimethyl-1-[(3R)-1-prop-2-enoylazepan-3-yl]-6,8-dihydroimidazo[4,5-h][1,5]benzoxazepin-2-yl]benzamide;N-[2,2-difluoro-8-methyl-7-[(3R)-1-[(E)-4-pyrrolidin-1-ylbut-2-enoyl]azepan-3-yl]-[1,3]dioxolo[4,5-f]benzimidazol-6-yl]benzamide;N-[4-methoxy-3-[(3R)-1-prop-2-enoylazepan-3-yl]-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;2-methyl-N-[19-methyl-17-[(3R)-1-prop-2-enoylazepan-3-yl]-2,5,8,11-tetraoxa-15,17-diazatricyclo[10.7.0.014,18]nonadeca-1(12),13,15,18-tetraen-16-yl]pyridine-4-carboxamide (PubChem CID 158039889) has the molecular formula C298H323Cl7F7N59O43 and a molecular weight of 5800.39 g/mol. Its IUPAC name is N-[4-chloro-5,8-dimethyl-3-[(3R)-1-prop-2-enoylazepan-3-yl]-6,7-dihydroimidazo[4,5-g]quinoxalin-2-yl]benzamide;N-[4-chloro-8-methyl-6-oxo-3-[(3R)-1-prop-2-enoylazepan-3-yl]-5,7-dihydroimidazo[4,5-g]quinoxalin-2-yl]-2-methylpyridine-4-carboxamide;N-[4-chloro-8-methyl-7-oxo-3-[(3R)-1-prop-2-enoylazepan-3-yl]imidazo[4,5-g][1,4]benzoxazin-2-yl]-2-methylpyridine-4-carboxamide;N-[4-chloro-8-methyl-3-[(3R)-1-prop-2-enoylazepan-3-yl]-6,7-dihydroimidazo[4,5-g][1,4]benzoxazin-2-yl]benzamide;N-[9-chloro-7-oxo-1-[(3R)-1-prop-2-enoylazepan-3-yl]-8H-imidazo[4,5-g][1,4]benzoxazin-2-yl]-2-methylpyridine-4-carboxamide;N-[4-chloro-7-oxo-3-[(3R)-1-prop-2-enoylazepan-3-yl]-8H-pyrano[3,2-f]benzimidazol-2-yl]-2-methylpyridine-4-carboxamide;N-[8-chloro-6-[(3R)-1-prop-2-enoylazepan-3-yl]-10,13,16-trioxa-4,6-diazatricyclo[7.7.0.03,7]hexadeca-1(9),2,4,7-tetraen-5-yl]-2-methylpyridine-4-carboxamide;N-[7,7-difluoro-9,10-dimethyl-1-[(3R)-1-prop-2-enoylazepan-3-yl]-6,8-dihydroimidazo[4,5-h][1,5]benzoxazepin-2-yl]benzamide;N-[2,2-difluoro-8-methyl-7-[(3R)-1-[(E)-4-pyrrolidin-1-ylbut-2-enoyl]azepan-3-yl]-[1,3]dioxolo[4,5-f]benzimidazol-6-yl]benzamide;N-[4-methoxy-3-[(3R)-1-prop-2-enoylazepan-3-yl]-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;2-methyl-N-[19-methyl-17-[(3R)-1-prop-2-enoylazepan-3-yl]-2,5,8,11-tetraoxa-15,17-diazatricyclo[10.7.0.014,18]nonadeca-1(12),13,15,18-tetraen-16-yl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[4-chloro-5,8-dimethyl-3-[(3R)-1-prop-2-enoylazepan-3-yl]-6,7-dihydroimidazo[4,5-g]quinoxalin-2-yl]benzamide;N-[4-chloro-8-methyl-6-oxo-3-[(3R)-1-prop-2-enoylazepan-3-yl]-5,7-dihydroimidazo[4,5-g]quinoxalin-2-yl]-2-methylpyridine-4-carboxamide;N-[4-chloro-8-methyl-7-oxo-3-[(3R)-1-prop-2-enoylazepan-3-yl]imidazo[4,5-g][1,4]benzoxazin-2-yl]-2-methylpyridine-4-carboxamide;N-[4-chloro-8-methyl-3-[(3R)-1-prop-2-enoylazepan-3-yl]-6,7-dihydroimidazo[4,5-g][1,4]benzoxazin-2-yl]benzamide;N-[9-chloro-7-oxo-1-[(3R)-1-prop-2-enoylazepan-3-yl]-8H-imidazo[4,5-g][1,4]benzoxazin-2-yl]-2-methylpyridine-4-carboxamide;N-[4-chloro-7-oxo-3-[(3R)-1-prop-2-enoylazepan-3-yl]-8H-pyrano[3,2-f]benzimidazol-2-yl]-2-methylpyridine-4-carboxamide;N-[8-chloro-6-[(3R)-1-prop-2-enoylazepan-3-yl]-10,13,16-trioxa-4,6-diazatricyclo[7.7.0.03,7]hexadeca-1(9),2,4,7-tetraen-5-yl]-2-methylpyridine-4-carboxamide;N-[7,7-difluoro-9,10-dimethyl-1-[(3R)-1-prop-2-enoylazepan-3-yl]-6,8-dihydroimidazo[4,5-h][1,5]benzoxazepin-2-yl]benzamide;N-[2,2-difluoro-8-methyl-7-[(3R)-1-[(E)-4-pyrrolidin-1-ylbut-2-enoyl]azepan-3-yl]-[1,3]dioxolo[4,5-f]benzimidazol-6-yl]benzamide;N-[4-methoxy-3-[(3R)-1-prop-2-enoylazepan-3-yl]-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;2-methyl-N-[19-methyl-17-[(3R)-1-prop-2-enoylazepan-3-yl]-2,5,8,11-tetraoxa-15,17-diazatricyclo[10.7.0.014,18]nonadeca-1(12),13,15,18-tetraen-16-yl]pyridine-4-carboxamide
PubChem CID158039889
Molecular FormulaC298H323Cl7F7N59O43
Molecular Weight5800.39 g/mol
Exact Mass5793.26
IUPAC NameN-[4-chloro-5,8-dimethyl-3-[(3R)-1-prop-2-enoylazepan-3-yl]-6,7-dihydroimidazo[4,5-g]quinoxalin-2-yl]benzamide;N-[4-chloro-8-methyl-6-oxo-3-[(3R)-1-prop-2-enoylazepan-3-yl]-5,7-dihydroimidazo[4,5-g]quinoxalin-2-yl]-2-methylpyridine-4-carboxamide;N-[4-chloro-8-methyl-7-oxo-3-[(3R)-1-prop-2-enoylazepan-3-yl]imidazo[4,5-g][1,4]benzoxazin-2-yl]-2-methylpyridine-4-carboxamide;N-[4-chloro-8-methyl-3-[(3R)-1-prop-2-enoylazepan-3-yl]-6,7-dihydroimidazo[4,5-g][1,4]benzoxazin-2-yl]benzamide;N-[9-chloro-7-oxo-1-[(3R)-1-prop-2-enoylazepan-3-yl]-8H-imidazo[4,5-g][1,4]benzoxazin-2-yl]-2-methylpyridine-4-carboxamide;N-[4-chloro-7-oxo-3-[(3R)-1-prop-2-enoylazepan-3-yl]-8H-pyrano[3,2-f]benzimidazol-2-yl]-2-methylpyridine-4-carboxamide;N-[8-chloro-6-[(3R)-1-prop-2-enoylazepan-3-yl]-10,13,16-trioxa-4,6-diazatricyclo[7.7.0.03,7]hexadeca-1(9),2,4,7-tetraen-5-yl]-2-methylpyridine-4-carboxamide;N-[7,7-difluoro-9,10-dimethyl-1-[(3R)-1-prop-2-enoylazepan-3-yl]-6,8-dihydroimidazo[4,5-h][1,5]benzoxazepin-2-yl]benzamide;N-[2,2-difluoro-8-methyl-7-[(3R)-1-[(E)-4-pyrrolidin-1-ylbut-2-enoyl]azepan-3-yl]-[1,3]dioxolo[4,5-f]benzimidazol-6-yl]benzamide;N-[4-methoxy-3-[(3R)-1-prop-2-enoylazepan-3-yl]-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;2-methyl-N-[19-methyl-17-[(3R)-1-prop-2-enoylazepan-3-yl]-2,5,8,11-tetraoxa-15,17-diazatricyclo[10.7.0.014,18]nonadeca-1(12),13,15,18-tetraen-16-yl]pyridine-4-carboxamide
SMILESC=CC(=O)N1CCCC[C@@H](n2c(NC(=O)c3cccc(C(F)(F)F)c3)nc3cc4c(c(OC)c32)OCCO4)C1.C=CC(=O)N1CCCC[C@@H](n2c(NC(=O)c3ccccc3)nc3cc4c(c(C)c32)N(C)CC(F)(F)CO4)C1.C=CC(=O)N1CCCC[C@@H](n2c(NC(=O)c3ccccc3)nc3cc4c(c(Cl)c32)N(C)CCN4C)C1.C=CC(=O)N1CCCC[C@@H](n2c(NC(=O)c3ccccc3)nc3cc4c(c(Cl)c32)OCCN4C)C1.C=CC(=O)N1CCCC[C@@H](n2c(NC(=O)c3ccnc(C)c3)nc3cc4c(c(C)c32)OCCOCCOCCO4)C1.C=CC(=O)N1CCCC[C@@H](n2c(NC(=O)c3ccnc(C)c3)nc3cc4c(c(Cl)c32)NC(=O)CN4C)C1.C=CC(=O)N1CCCC[C@@H](n2c(NC(=O)c3ccnc(C)c3)nc3cc4c(c(Cl)c32)NC(=O)CO4)C1.C=CC(=O)N1CCCC[C@@H](n2c(NC(=O)c3ccnc(C)c3)nc3cc4c(c(Cl)c32)OCC(=O)C4)C1.C=CC(=O)N1CCCC[C@@H](n2c(NC(=O)c3ccnc(C)c3)nc3cc4c(c(Cl)c32)OCC(=O)N4C)C1.C=CC(=O)N1CCCC[C@@H](n2c(NC(=O)c3ccnc(C)c3)nc3cc4c(c(Cl)c32)OCCOCCO4)C1.Cc1c2c(cc3nc(NC(=O)c4ccccc4)n([C@@H]4CCCCN(C(=O)/C=C/CN5CCCC5)C4)c13)OC(F)(F)O2
InChIInChI=1S/C30H33F2N5O4.C30H37N5O6.C28H31F2N5O3.C27H31ClN6O2.C27H30ClN5O5.C27H27F3N4O5.C26H28ClN7O3.C26H27ClN6O4.C26H26ClN5O4.C26H28ClN5O3.C25H25ClN6O4/c1-20-26-23(18-24-27(20)41-30(31,32)40-24)33-29(34-28(39)21-10-3-2-4-11-21)37(26)22-12-5-6-17-36(19-22)25(38)13-9-16-35-14-7-8-15-35;1-4-26(36)34-10-6-5-7-23(19-34)35-27-21(3)28-25(40-15-13-38-11-12-39-14-16-41-28)18-24(27)32-30(35)33-29(37)22-8-9-31-20(2)17-22;1-4-23(36)34-13-9-8-12-20(15-34)35-24-18(2)25-22(38-17-28(29,30)16-33(25)3)14-21(24)31-27(35)32-26(37)19-10-6-5-7-11-19;1-4-22(35)33-13-9-8-12-19(17-33)34-24-20(16-21-25(23(24)28)32(3)15-14-31(21)2)29-27(34)30-26(36)18-10-6-5-7-11-18;1-3-22(34)32-9-5-4-6-19(16-32)33-24-20(15-21-25(23(24)28)38-13-11-36-10-12-37-21)30-27(33)31-26(35)18-7-8-29-17(2)14-18;1-3-21(35)33-10-5-4-9-18(15-33)34-22-19(14-20-23(24(22)37-2)39-12-11-38-20)31-26(34)32-25(36)16-7-6-8-17(13-16)27(28,29)30;1-4-21(36)33-10-6-5-7-17(13-33)34-24-18(12-19-23(22(24)27)30-20(35)14-32(19)3)29-26(34)31-25(37)16-8-9-28-15(2)11-16;1-4-20(34)32-10-6-5-7-17(13-32)33-23-18(12-19-24(22(23)27)37-14-21(35)31(19)3)29-26(33)30-25(36)16-8-9-28-15(2)11-16;1-3-21(34)31-9-5-4-6-18(13-31)32-23-20(12-17-11-19(33)14-36-24(17)22(23)27)29-26(32)30-25(35)16-7-8-28-15(2)10-16;1-3-21(33)31-12-8-7-11-18(16-31)32-23-19(15-20-24(22(23)27)35-14-13-30(20)2)28-26(32)29-25(34)17-9-5-4-6-10-17;1-3-20(34)31-9-5-4-6-16(12-31)32-23-17(11-18-22(21(23)26)29-19(33)13-36-18)28-25(32)30-24(35)15-7-8-27-14(2)10-15/h2-4,9-11,13,18,22H,5-8,12,14-17,19H2,1H3,(H,33,34,39);4,8-9,17-18,23H,1,5-7,10-16,19H2,2-3H3,(H,32,33,37);4-7,10-11,14,20H,1,8-9,12-13,15-17H2,2-3H3,(H,31,32,37);4-7,10-11,16,19H,1,8-9,12-15,17H2,2-3H3,(H,29,30,36);3,7-8,14-15,19H,1,4-6,9-13,16H2,2H3,(H,30,31,35);3,6-8,13-14,18H,1,4-5,9-12,15H2,2H3,(H,31,32,36);4,8-9,11-12,17H,1,5-7,10,13-14H2,2-3H3,(H,30,35)(H,29,31,37);4,8-9,11-12,17H,1,5-7,10,13-14H2,2-3H3,(H,29,30,36);3,7-8,10,12,18H,1,4-6,9,11,13-14H2,2H3,(H,29,30,35);3-6,9-10,15,18H,1,7-8,11-14,16H2,2H3,(H,28,29,34);3,7-8,10-11,16H,1,4-6,9,12-13H2,2H3,(H,29,33)(H,28,30,35)/b13-9+;;;;;;;;;;/t22-;23-;20-;2*19-;18-;2*17-;2*18-;16-/m11111111111/s1
InChIKeyFIFKEXOUDNEMDF-SDYPPYAUSA-N
XLogP46.96
TPSA1088.80 Ų
H-Bond Donors13
H-Bond Acceptors77
Rotatable Bonds47
Heavy Atoms414
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5005800.39
LogP ≤ 546.96
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1077

Analyze N-[4-chloro-5,8-dimethyl-3-[(3R)-1-prop-2-enoylazepan-3-yl]-6,7-dihydroimidazo[4,5-g]quinoxalin-2-yl]benzamide;N-[4-chloro-8-methyl-6-oxo-3-[(3R)-1-prop-2-enoylazepan-3-yl]-5,7-dihydroimidazo[4,5-g]quinoxalin-2-yl]-2-methylpyridine-4-carboxamide;N-[4-chloro-8-methyl-7-oxo-3-[(3R)-1-prop-2-enoylazepan-3-yl]imidazo[4,5-g][1,4]benzoxazin-2-yl]-2-methylpyridine-4-carboxamide;N-[4-chloro-8-methyl-3-[(3R)-1-prop-2-enoylazepan-3-yl]-6,7-dihydroimidazo[4,5-g][1,4]benzoxazin-2-yl]benzamide;N-[9-chloro-7-oxo-1-[(3R)-1-prop-2-enoylazepan-3-yl]-8H-imidazo[4,5-g][1,4]benzoxazin-2-yl]-2-methylpyridine-4-carboxamide;N-[4-chloro-7-oxo-3-[(3R)-1-prop-2-enoylazepan-3-yl]-8H-pyrano[3,2-f]benzimidazol-2-yl]-2-methylpyridine-4-carboxamide;N-[8-chloro-6-[(3R)-1-prop-2-enoylazepan-3-yl]-10,13,16-trioxa-4,6-diazatricyclo[7.7.0.03,7]hexadeca-1(9),2,4,7-tetraen-5-yl]-2-methylpyridine-4-carboxamide;N-[7,7-difluoro-9,10-dimethyl-1-[(3R)-1-prop-2-enoylazepan-3-yl]-6,8-dihydroimidazo[4,5-h][1,5]benzoxazepin-2-yl]benzamide;N-[2,2-difluoro-8-methyl-7-[(3R)-1-[(E)-4-pyrrolidin-1-ylbut-2-enoyl]azepan-3-yl]-[1,3]dioxolo[4,5-f]benzimidazol-6-yl]benzamide;N-[4-methoxy-3-[(3R)-1-prop-2-enoylazepan-3-yl]-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;2-methyl-N-[19-methyl-17-[(3R)-1-prop-2-enoylazepan-3-yl]-2,5,8,11-tetraoxa-15,17-diazatricyclo[10.7.0.014,18]nonadeca-1(12),13,15,18-tetraen-16-yl]pyridine-4-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-5,8-dimethyl-3-[(3R)-1-prop-2-enoylazepan-3-yl]-6,7-dihydroimidazo[4,5-g]quinoxalin-2-yl]benzamide;N-[4-chloro-8-methyl-6-oxo-3-[(3R)-1-prop-2-enoylazepan-3-yl]-5,7-dihydroimidazo[4,5-g]quinoxalin-2-yl]-2-methylpyridine-4-carboxamide;N-[4-chloro-8-methyl-7-oxo-3-[(3R)-1-prop-2-enoylazepan-3-yl]imidazo[4,5-g][1,4]benzoxazin-2-yl]-2-methylpyridine-4-carboxamide;N-[4-chloro-8-methyl-3-[(3R)-1-prop-2-enoylazepan-3-yl]-6,7-dihydroimidazo[4,5-g][1,4]benzoxazin-2-yl]benzamide;N-[9-chloro-7-oxo-1-[(3R)-1-prop-2-enoylazepan-3-yl]-8H-imidazo[4,5-g][1,4]benzoxazin-2-yl]-2-methylpyridine-4-carboxamide;N-[4-chloro-7-oxo-3-[(3R)-1-prop-2-enoylazepan-3-yl]-8H-pyrano[3,2-f]benzimidazol-2-yl]-2-methylpyridine-4-carboxamide;N-[8-chloro-6-[(3R)-1-prop-2-enoylazepan-3-yl]-10,13,16-trioxa-4,6-diazatricyclo[7.7.0.03,7]hexadeca-1(9),2,4,7-tetraen-5-yl]-2-methylpyridine-4-carboxamide;N-[7,7-difluoro-9,10-dimethyl-1-[(3R)-1-prop-2-enoylazepan-3-yl]-6,8-dihydroimidazo[4,5-h][1,5]benzoxazepin-2-yl]benzamide;N-[2,2-difluoro-8-methyl-7-[(3R)-1-[(E)-4-pyrrolidin-1-ylbut-2-enoyl]azepan-3-yl]-[1,3]dioxolo[4,5-f]benzimidazol-6-yl]benzamide;N-[4-methoxy-3-[(3R)-1-prop-2-enoylazepan-3-yl]-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;2-methyl-N-[19-methyl-17-[(3R)-1-prop-2-enoylazepan-3-yl]-2,5,8,11-tetraoxa-15,17-diazatricyclo[10.7.0.014,18]nonadeca-1(12),13,15,18-tetraen-16-yl]pyridine-4-carboxamide?
The IUPAC name of N-[4-chloro-5,8-dimethyl-3-[(3R)-1-prop-2-enoylazepan-3-yl]-6,7-dihydroimidazo[4,5-g]quinoxalin-2-yl]benzamide;N-[4-chloro-8-methyl-6-oxo-3-[(3R)-1-prop-2-enoylazepan-3-yl]-5,7-dihydroimidazo[4,5-g]quinoxalin-2-yl]-2-methylpyridine-4-carboxamide;N-[4-chloro-8-methyl-7-oxo-3-[(3R)-1-prop-2-enoylazepan-3-yl]imidazo[4,5-g][1,4]benzoxazin-2-yl]-2-methylpyridine-4-carboxamide;N-[4-chloro-8-methyl-3-[(3R)-1-prop-2-enoylazepan-3-yl]-6,7-dihydroimidazo[4,5-g][1,4]benzoxazin-2-yl]benzamide;N-[9-chloro-7-oxo-1-[(3R)-1-prop-2-enoylazepan-3-yl]-8H-imidazo[4,5-g][1,4]benzoxazin-2-yl]-2-methylpyridine-4-carboxamide;N-[4-chloro-7-oxo-3-[(3R)-1-prop-2-enoylazepan-3-yl]-8H-pyrano[3,2-f]benzimidazol-2-yl]-2-methylpyridine-4-carboxamide;N-[8-chloro-6-[(3R)-1-prop-2-enoylazepan-3-yl]-10,13,16-trioxa-4,6-diazatricyclo[7.7.0.03,7]hexadeca-1(9),2,4,7-tetraen-5-yl]-2-methylpyridine-4-carboxamide;N-[7,7-difluoro-9,10-dimethyl-1-[(3R)-1-prop-2-enoylazepan-3-yl]-6,8-dihydroimidazo[4,5-h][1,5]benzoxazepin-2-yl]benzamide;N-[2,2-difluoro-8-methyl-7-[(3R)-1-[(E)-4-pyrrolidin-1-ylbut-2-enoyl]azepan-3-yl]-[1,3]dioxolo[4,5-f]benzimidazol-6-yl]benzamide;N-[4-methoxy-3-[(3R)-1-prop-2-enoylazepan-3-yl]-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;2-methyl-N-[19-methyl-17-[(3R)-1-prop-2-enoylazepan-3-yl]-2,5,8,11-tetraoxa-15,17-diazatricyclo[10.7.0.014,18]nonadeca-1(12),13,15,18-tetraen-16-yl]pyridine-4-carboxamide (CID 158039889) is N-[4-chloro-5,8-dimethyl-3-[(3R)-1-prop-2-enoylazepan-3-yl]-6,7-dihydroimidazo[4,5-g]quinoxalin-2-yl]benzamide;N-[4-chloro-8-methyl-6-oxo-3-[(3R)-1-prop-2-enoylazepan-3-yl]-5,7-dihydroimidazo[4,5-g]quinoxalin-2-yl]-2-methylpyridine-4-carboxamide;N-[4-chloro-8-methyl-7-oxo-3-[(3R)-1-prop-2-enoylazepan-3-yl]imidazo[4,5-g][1,4]benzoxazin-2-yl]-2-methylpyridine-4-carboxamide;N-[4-chloro-8-methyl-3-[(3R)-1-prop-2-enoylazepan-3-yl]-6,7-dihydroimidazo[4,5-g][1,4]benzoxazin-2-yl]benzamide;N-[9-chloro-7-oxo-1-[(3R)-1-prop-2-enoylazepan-3-yl]-8H-imidazo[4,5-g][1,4]benzoxazin-2-yl]-2-methylpyridine-4-carboxamide;N-[4-chloro-7-oxo-3-[(3R)-1-prop-2-enoylazepan-3-yl]-8H-pyrano[3,2-f]benzimidazol-2-yl]-2-methylpyridine-4-carboxamide;N-[8-chloro-6-[(3R)-1-prop-2-enoylazepan-3-yl]-10,13,16-trioxa-4,6-diazatricyclo[7.7.0.03,7]hexadeca-1(9),2,4,7-tetraen-5-yl]-2-methylpyridine-4-carboxamide;N-[7,7-difluoro-9,10-dimethyl-1-[(3R)-1-prop-2-enoylazepan-3-yl]-6,8-dihydroimidazo[4,5-h][1,5]benzoxazepin-2-yl]benzamide;N-[2,2-difluoro-8-methyl-7-[(3R)-1-[(E)-4-pyrrolidin-1-ylbut-2-enoyl]azepan-3-yl]-[1,3]dioxolo[4,5-f]benzimidazol-6-yl]benzamide;N-[4-methoxy-3-[(3R)-1-prop-2-enoylazepan-3-yl]-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;2-methyl-N-[19-methyl-17-[(3R)-1-prop-2-enoylazepan-3-yl]-2,5,8,11-tetraoxa-15,17-diazatricyclo[10.7.0.014,18]nonadeca-1(12),13,15,18-tetraen-16-yl]pyridine-4-carboxamide.
What is the SMILES notation for N-[4-chloro-5,8-dimethyl-3-[(3R)-1-prop-2-enoylazepan-3-yl]-6,7-dihydroimidazo[4,5-g]quinoxalin-2-yl]benzamide;N-[4-chloro-8-methyl-6-oxo-3-[(3R)-1-prop-2-enoylazepan-3-yl]-5,7-dihydroimidazo[4,5-g]quinoxalin-2-yl]-2-methylpyridine-4-carboxamide;N-[4-chloro-8-methyl-7-oxo-3-[(3R)-1-prop-2-enoylazepan-3-yl]imidazo[4,5-g][1,4]benzoxazin-2-yl]-2-methylpyridine-4-carboxamide;N-[4-chloro-8-methyl-3-[(3R)-1-prop-2-enoylazepan-3-yl]-6,7-dihydroimidazo[4,5-g][1,4]benzoxazin-2-yl]benzamide;N-[9-chloro-7-oxo-1-[(3R)-1-prop-2-enoylazepan-3-yl]-8H-imidazo[4,5-g][1,4]benzoxazin-2-yl]-2-methylpyridine-4-carboxamide;N-[4-chloro-7-oxo-3-[(3R)-1-prop-2-enoylazepan-3-yl]-8H-pyrano[3,2-f]benzimidazol-2-yl]-2-methylpyridine-4-carboxamide;N-[8-chloro-6-[(3R)-1-prop-2-enoylazepan-3-yl]-10,13,16-trioxa-4,6-diazatricyclo[7.7.0.03,7]hexadeca-1(9),2,4,7-tetraen-5-yl]-2-methylpyridine-4-carboxamide;N-[7,7-difluoro-9,10-dimethyl-1-[(3R)-1-prop-2-enoylazepan-3-yl]-6,8-dihydroimidazo[4,5-h][1,5]benzoxazepin-2-yl]benzamide;N-[2,2-difluoro-8-methyl-7-[(3R)-1-[(E)-4-pyrrolidin-1-ylbut-2-enoyl]azepan-3-yl]-[1,3]dioxolo[4,5-f]benzimidazol-6-yl]benzamide;N-[4-methoxy-3-[(3R)-1-prop-2-enoylazepan-3-yl]-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;2-methyl-N-[19-methyl-17-[(3R)-1-prop-2-enoylazepan-3-yl]-2,5,8,11-tetraoxa-15,17-diazatricyclo[10.7.0.014,18]nonadeca-1(12),13,15,18-tetraen-16-yl]pyridine-4-carboxamide?
The canonical SMILES for N-[4-chloro-5,8-dimethyl-3-[(3R)-1-prop-2-enoylazepan-3-yl]-6,7-dihydroimidazo[4,5-g]quinoxalin-2-yl]benzamide;N-[4-chloro-8-methyl-6-oxo-3-[(3R)-1-prop-2-enoylazepan-3-yl]-5,7-dihydroimidazo[4,5-g]quinoxalin-2-yl]-2-methylpyridine-4-carboxamide;N-[4-chloro-8-methyl-7-oxo-3-[(3R)-1-prop-2-enoylazepan-3-yl]imidazo[4,5-g][1,4]benzoxazin-2-yl]-2-methylpyridine-4-carboxamide;N-[4-chloro-8-methyl-3-[(3R)-1-prop-2-enoylazepan-3-yl]-6,7-dihydroimidazo[4,5-g][1,4]benzoxazin-2-yl]benzamide;N-[9-chloro-7-oxo-1-[(3R)-1-prop-2-enoylazepan-3-yl]-8H-imidazo[4,5-g][1,4]benzoxazin-2-yl]-2-methylpyridine-4-carboxamide;N-[4-chloro-7-oxo-3-[(3R)-1-prop-2-enoylazepan-3-yl]-8H-pyrano[3,2-f]benzimidazol-2-yl]-2-methylpyridine-4-carboxamide;N-[8-chloro-6-[(3R)-1-prop-2-enoylazepan-3-yl]-10,13,16-trioxa-4,6-diazatricyclo[7.7.0.03,7]hexadeca-1(9),2,4,7-tetraen-5-yl]-2-methylpyridine-4-carboxamide;N-[7,7-difluoro-9,10-dimethyl-1-[(3R)-1-prop-2-enoylazepan-3-yl]-6,8-dihydroimidazo[4,5-h][1,5]benzoxazepin-2-yl]benzamide;N-[2,2-difluoro-8-methyl-7-[(3R)-1-[(E)-4-pyrrolidin-1-ylbut-2-enoyl]azepan-3-yl]-[1,3]dioxolo[4,5-f]benzimidazol-6-yl]benzamide;N-[4-methoxy-3-[(3R)-1-prop-2-enoylazepan-3-yl]-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;2-methyl-N-[19-methyl-17-[(3R)-1-prop-2-enoylazepan-3-yl]-2,5,8,11-tetraoxa-15,17-diazatricyclo[10.7.0.014,18]nonadeca-1(12),13,15,18-tetraen-16-yl]pyridine-4-carboxamide is C=CC(=O)N1CCCC[C@@H](n2c(NC(=O)c3cccc(C(F)(F)F)c3)nc3cc4c(c(OC)c32)OCCO4)C1.C=CC(=O)N1CCCC[C@@H](n2c(NC(=O)c3ccccc3)nc3cc4c(c(C)c32)N(C)CC(F)(F)CO4)C1.C=CC(=O)N1CCCC[C@@H](n2c(NC(=O)c3ccccc3)nc3cc4c(c(Cl)c32)N(C)CCN4C)C1.C=CC(=O)N1CCCC[C@@H](n2c(NC(=O)c3ccccc3)nc3cc4c(c(Cl)c32)OCCN4C)C1.C=CC(=O)N1CCCC[C@@H](n2c(NC(=O)c3ccnc(C)c3)nc3cc4c(c(C)c32)OCCOCCOCCO4)C1.C=CC(=O)N1CCCC[C@@H](n2c(NC(=O)c3ccnc(C)c3)nc3cc4c(c(Cl)c32)NC(=O)CN4C)C1.C=CC(=O)N1CCCC[C@@H](n2c(NC(=O)c3ccnc(C)c3)nc3cc4c(c(Cl)c32)NC(=O)CO4)C1.C=CC(=O)N1CCCC[C@@H](n2c(NC(=O)c3ccnc(C)c3)nc3cc4c(c(Cl)c32)OCC(=O)C4)C1.C=CC(=O)N1CCCC[C@@H](n2c(NC(=O)c3ccnc(C)c3)nc3cc4c(c(Cl)c32)OCC(=O)N4C)C1.C=CC(=O)N1CCCC[C@@H](n2c(NC(=O)c3ccnc(C)c3)nc3cc4c(c(Cl)c32)OCCOCCO4)C1.Cc1c2c(cc3nc(NC(=O)c4ccccc4)n([C@@H]4CCCCN(C(=O)/C=C/CN5CCCC5)C4)c13)OC(F)(F)O2.
What is the InChIKey of N-[4-chloro-5,8-dimethyl-3-[(3R)-1-prop-2-enoylazepan-3-yl]-6,7-dihydroimidazo[4,5-g]quinoxalin-2-yl]benzamide;N-[4-chloro-8-methyl-6-oxo-3-[(3R)-1-prop-2-enoylazepan-3-yl]-5,7-dihydroimidazo[4,5-g]quinoxalin-2-yl]-2-methylpyridine-4-carboxamide;N-[4-chloro-8-methyl-7-oxo-3-[(3R)-1-prop-2-enoylazepan-3-yl]imidazo[4,5-g][1,4]benzoxazin-2-yl]-2-methylpyridine-4-carboxamide;N-[4-chloro-8-methyl-3-[(3R)-1-prop-2-enoylazepan-3-yl]-6,7-dihydroimidazo[4,5-g][1,4]benzoxazin-2-yl]benzamide;N-[9-chloro-7-oxo-1-[(3R)-1-prop-2-enoylazepan-3-yl]-8H-imidazo[4,5-g][1,4]benzoxazin-2-yl]-2-methylpyridine-4-carboxamide;N-[4-chloro-7-oxo-3-[(3R)-1-prop-2-enoylazepan-3-yl]-8H-pyrano[3,2-f]benzimidazol-2-yl]-2-methylpyridine-4-carboxamide;N-[8-chloro-6-[(3R)-1-prop-2-enoylazepan-3-yl]-10,13,16-trioxa-4,6-diazatricyclo[7.7.0.03,7]hexadeca-1(9),2,4,7-tetraen-5-yl]-2-methylpyridine-4-carboxamide;N-[7,7-difluoro-9,10-dimethyl-1-[(3R)-1-prop-2-enoylazepan-3-yl]-6,8-dihydroimidazo[4,5-h][1,5]benzoxazepin-2-yl]benzamide;N-[2,2-difluoro-8-methyl-7-[(3R)-1-[(E)-4-pyrrolidin-1-ylbut-2-enoyl]azepan-3-yl]-[1,3]dioxolo[4,5-f]benzimidazol-6-yl]benzamide;N-[4-methoxy-3-[(3R)-1-prop-2-enoylazepan-3-yl]-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;2-methyl-N-[19-methyl-17-[(3R)-1-prop-2-enoylazepan-3-yl]-2,5,8,11-tetraoxa-15,17-diazatricyclo[10.7.0.014,18]nonadeca-1(12),13,15,18-tetraen-16-yl]pyridine-4-carboxamide?
The InChIKey is FIFKEXOUDNEMDF-SDYPPYAUSA-N. The full InChI is InChI=1S/C30H33F2N5O4.C30H37N5O6.C28H31F2N5O3.C27H31ClN6O2.C27H30ClN5O5.C27H27F3N4O5.C26H28ClN7O3.C26H27ClN6O4.C26H26ClN5O4.C26H28ClN5O3.C25H25ClN6O4/c1-20-26-23(18-24-27(20)41-30(31,32)40-24)33-29(34-28(39)21-10-3-2-4-11-21)37(26)22-12-5-6-17-36(19-22)25(38)13-9-16-35-14-7-8-15-35;1-4-26(36)34-10-6-5-7-23(19-34)35-27-21(3)28-25(40-15-13-38-11-12-39-14-16-41-28)18-24(27)32-30(35)33-29(37)22-8-9-31-20(2)17-22;1-4-23(36)34-13-9-8-12-20(15-34)35-24-18(2)25-22(38-17-28(29,30)16-33(25)3)14-21(24)31-27(35)32-26(37)19-10-6-5-7-11-19;1-4-22(35)33-13-9-8-12-19(17-33)34-24-20(16-21-25(23(24)28)32(3)15-14-31(21)2)29-27(34)30-26(36)18-10-6-5-7-11-18;1-3-22(34)32-9-5-4-6-19(16-32)33-24-20(15-21-25(23(24)28)38-13-11-36-10-12-37-21)30-27(33)31-26(35)18-7-8-29-17(2)14-18;1-3-21(35)33-10-5-4-9-18(15-33)34-22-19(14-20-23(24(22)37-2)39-12-11-38-20)31-26(34)32-25(36)16-7-6-8-17(13-16)27(28,29)30;1-4-21(36)33-10-6-5-7-17(13-33)34-24-18(12-19-23(22(24)27)30-20(35)14-32(19)3)29-26(34)31-25(37)16-8-9-28-15(2)11-16;1-4-20(34)32-10-6-5-7-17(13-32)33-23-18(12-19-24(22(23)27)37-14-21(35)31(19)3)29-26(33)30-25(36)16-8-9-28-15(2)11-16;1-3-21(34)31-9-5-4-6-18(13-31)32-23-20(12-17-11-19(33)14-36-24(17)22(23)27)29-26(32)30-25(35)16-7-8-28-15(2)10-16;1-3-21(33)31-12-8-7-11-18(16-31)32-23-19(15-20-24(22(23)27)35-14-13-30(20)2)28-26(32)29-25(34)17-9-5-4-6-10-17;1-3-20(34)31-9-5-4-6-16(12-31)32-23-17(11-18-22(21(23)26)29-19(33)13-36-18)28-25(32)30-24(35)15-7-8-27-14(2)10-15/h2-4,9-11,13,18,22H,5-8,12,14-17,19H2,1H3,(H,33,34,39);4,8-9,17-18,23H,1,5-7,10-16,19H2,2-3H3,(H,32,33,37);4-7,10-11,14,20H,1,8-9,12-13,15-17H2,2-3H3,(H,31,32,37);4-7,10-11,16,19H,1,8-9,12-15,17H2,2-3H3,(H,29,30,36);3,7-8,14-15,19H,1,4-6,9-13,16H2,2H3,(H,30,31,35);3,6-8,13-14,18H,1,4-5,9-12,15H2,2H3,(H,31,32,36);4,8-9,11-12,17H,1,5-7,10,13-14H2,2-3H3,(H,30,35)(H,29,31,37);4,8-9,11-12,17H,1,5-7,10,13-14H2,2-3H3,(H,29,30,36);3,7-8,10,12,18H,1,4-6,9,11,13-14H2,2H3,(H,29,30,35);3-6,9-10,15,18H,1,7-8,11-14,16H2,2H3,(H,28,29,34);3,7-8,10-11,16H,1,4-6,9,12-13H2,2H3,(H,29,33)(H,28,30,35)/b13-9+;;;;;;;;;;/t22-;23-;20-;2*19-;18-;2*17-;2*18-;16-/m11111111111/s1.
What are the key properties of N-[4-chloro-5,8-dimethyl-3-[(3R)-1-prop-2-enoylazepan-3-yl]-6,7-dihydroimidazo[4,5-g]quinoxalin-2-yl]benzamide;N-[4-chloro-8-methyl-6-oxo-3-[(3R)-1-prop-2-enoylazepan-3-yl]-5,7-dihydroimidazo[4,5-g]quinoxalin-2-yl]-2-methylpyridine-4-carboxamide;N-[4-chloro-8-methyl-7-oxo-3-[(3R)-1-prop-2-enoylazepan-3-yl]imidazo[4,5-g][1,4]benzoxazin-2-yl]-2-methylpyridine-4-carboxamide;N-[4-chloro-8-methyl-3-[(3R)-1-prop-2-enoylazepan-3-yl]-6,7-dihydroimidazo[4,5-g][1,4]benzoxazin-2-yl]benzamide;N-[9-chloro-7-oxo-1-[(3R)-1-prop-2-enoylazepan-3-yl]-8H-imidazo[4,5-g][1,4]benzoxazin-2-yl]-2-methylpyridine-4-carboxamide;N-[4-chloro-7-oxo-3-[(3R)-1-prop-2-enoylazepan-3-yl]-8H-pyrano[3,2-f]benzimidazol-2-yl]-2-methylpyridine-4-carboxamide;N-[8-chloro-6-[(3R)-1-prop-2-enoylazepan-3-yl]-10,13,16-trioxa-4,6-diazatricyclo[7.7.0.03,7]hexadeca-1(9),2,4,7-tetraen-5-yl]-2-methylpyridine-4-carboxamide;N-[7,7-difluoro-9,10-dimethyl-1-[(3R)-1-prop-2-enoylazepan-3-yl]-6,8-dihydroimidazo[4,5-h][1,5]benzoxazepin-2-yl]benzamide;N-[2,2-difluoro-8-methyl-7-[(3R)-1-[(E)-4-pyrrolidin-1-ylbut-2-enoyl]azepan-3-yl]-[1,3]dioxolo[4,5-f]benzimidazol-6-yl]benzamide;N-[4-methoxy-3-[(3R)-1-prop-2-enoylazepan-3-yl]-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;2-methyl-N-[19-methyl-17-[(3R)-1-prop-2-enoylazepan-3-yl]-2,5,8,11-tetraoxa-15,17-diazatricyclo[10.7.0.014,18]nonadeca-1(12),13,15,18-tetraen-16-yl]pyridine-4-carboxamide?
N-[4-chloro-5,8-dimethyl-3-[(3R)-1-prop-2-enoylazepan-3-yl]-6,7-dihydroimidazo[4,5-g]quinoxalin-2-yl]benzamide;N-[4-chloro-8-methyl-6-oxo-3-[(3R)-1-prop-2-enoylazepan-3-yl]-5,7-dihydroimidazo[4,5-g]quinoxalin-2-yl]-2-methylpyridine-4-carboxamide;N-[4-chloro-8-methyl-7-oxo-3-[(3R)-1-prop-2-enoylazepan-3-yl]imidazo[4,5-g][1,4]benzoxazin-2-yl]-2-methylpyridine-4-carboxamide;N-[4-chloro-8-methyl-3-[(3R)-1-prop-2-enoylazepan-3-yl]-6,7-dihydroimidazo[4,5-g][1,4]benzoxazin-2-yl]benzamide;N-[9-chloro-7-oxo-1-[(3R)-1-prop-2-enoylazepan-3-yl]-8H-imidazo[4,5-g][1,4]benzoxazin-2-yl]-2-methylpyridine-4-carboxamide;N-[4-chloro-7-oxo-3-[(3R)-1-prop-2-enoylazepan-3-yl]-8H-pyrano[3,2-f]benzimidazol-2-yl]-2-methylpyridine-4-carboxamide;N-[8-chloro-6-[(3R)-1-prop-2-enoylazepan-3-yl]-10,13,16-trioxa-4,6-diazatricyclo[7.7.0.03,7]hexadeca-1(9),2,4,7-tetraen-5-yl]-2-methylpyridine-4-carboxamide;N-[7,7-difluoro-9,10-dimethyl-1-[(3R)-1-prop-2-enoylazepan-3-yl]-6,8-dihydroimidazo[4,5-h][1,5]benzoxazepin-2-yl]benzamide;N-[2,2-difluoro-8-methyl-7-[(3R)-1-[(E)-4-pyrrolidin-1-ylbut-2-enoyl]azepan-3-yl]-[1,3]dioxolo[4,5-f]benzimidazol-6-yl]benzamide;N-[4-methoxy-3-[(3R)-1-prop-2-enoylazepan-3-yl]-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;2-methyl-N-[19-methyl-17-[(3R)-1-prop-2-enoylazepan-3-yl]-2,5,8,11-tetraoxa-15,17-diazatricyclo[10.7.0.014,18]nonadeca-1(12),13,15,18-tetraen-16-yl]pyridine-4-carboxamide has a molecular weight of 5800.39 g/mol, XLogP of 46.96, 47 rotatable bonds, 13 hydrogen bond donors, and 77 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-5,8-dimethyl-3-[(3R)-1-prop-2-enoylazepan-3-yl]-6,7-dihydroimidazo[4,5-g]quinoxalin-2-yl]benzamide;N-[4-chloro-8-methyl-6-oxo-3-[(3R)-1-prop-2-enoylazepan-3-yl]-5,7-dihydroimidazo[4,5-g]quinoxalin-2-yl]-2-methylpyridine-4-carboxamide;N-[4-chloro-8-methyl-7-oxo-3-[(3R)-1-prop-2-enoylazepan-3-yl]imidazo[4,5-g][1,4]benzoxazin-2-yl]-2-methylpyridine-4-carboxamide;N-[4-chloro-8-methyl-3-[(3R)-1-prop-2-enoylazepan-3-yl]-6,7-dihydroimidazo[4,5-g][1,4]benzoxazin-2-yl]benzamide;N-[9-chloro-7-oxo-1-[(3R)-1-prop-2-enoylazepan-3-yl]-8H-imidazo[4,5-g][1,4]benzoxazin-2-yl]-2-methylpyridine-4-carboxamide;N-[4-chloro-7-oxo-3-[(3R)-1-prop-2-enoylazepan-3-yl]-8H-pyrano[3,2-f]benzimidazol-2-yl]-2-methylpyridine-4-carboxamide;N-[8-chloro-6-[(3R)-1-prop-2-enoylazepan-3-yl]-10,13,16-trioxa-4,6-diazatricyclo[7.7.0.03,7]hexadeca-1(9),2,4,7-tetraen-5-yl]-2-methylpyridine-4-carboxamide;N-[7,7-difluoro-9,10-dimethyl-1-[(3R)-1-prop-2-enoylazepan-3-yl]-6,8-dihydroimidazo[4,5-h][1,5]benzoxazepin-2-yl]benzamide;N-[2,2-difluoro-8-methyl-7-[(3R)-1-[(E)-4-pyrrolidin-1-ylbut-2-enoyl]azepan-3-yl]-[1,3]dioxolo[4,5-f]benzimidazol-6-yl]benzamide;N-[4-methoxy-3-[(3R)-1-prop-2-enoylazepan-3-yl]-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;2-methyl-N-[19-methyl-17-[(3R)-1-prop-2-enoylazepan-3-yl]-2,5,8,11-tetraoxa-15,17-diazatricyclo[10.7.0.014,18]nonadeca-1(12),13,15,18-tetraen-16-yl]pyridine-4-carboxamide is sourced from PubChem (CID 158039889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).