About N-[4-chloro-7,7-difluoro-9-methyl-3-[(3R)-1-prop-2-enoylazepan-3-yl]-6,8-dihydroimidazo[4,5-h][1,5]benzoxazepin-2-yl]benzamide;N-[10-chloro-7,7-difluoro-9-methyl-1-[(3R)-1-prop-2-enoylazepan-3-yl]-6,8-dihydroimidazo[4,5-h][1,5]benzoxazepin-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-[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-[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-chloro-7,7-difluoro-9-methyl-3-[(3R)-1-prop-2-enoylazepan-3-yl]-6,8-dihydroimidazo[4,5-h][1,5]benzoxazepin-2-yl]benzamide;N-[10-chloro-7,7-difluoro-9-methyl-1-[(3R)-1-prop-2-enoylazepan-3-yl]-6,8-dihydroimidazo[4,5-h][1,5]benzoxazepin-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-[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-[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 (PubChem CID 159235080) has the molecular formula C161H168Cl5F6N33O21
and a molecular weight of 3192.58 g/mol. Its IUPAC name is N-[4-chloro-7,7-difluoro-9-methyl-3-[(3R)-1-prop-2-enoylazepan-3-yl]-6,8-dihydroimidazo[4,5-h][1,5]benzoxazepin-2-yl]benzamide;N-[10-chloro-7,7-difluoro-9-methyl-1-[(3R)-1-prop-2-enoylazepan-3-yl]-6,8-dihydroimidazo[4,5-h][1,5]benzoxazepin-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-[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-[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.
Frequently Asked Questions
What is the IUPAC name of N-[4-chloro-7,7-difluoro-9-methyl-3-[(3R)-1-prop-2-enoylazepan-3-yl]-6,8-dihydroimidazo[4,5-h][1,5]benzoxazepin-2-yl]benzamide;N-[10-chloro-7,7-difluoro-9-methyl-1-[(3R)-1-prop-2-enoylazepan-3-yl]-6,8-dihydroimidazo[4,5-h][1,5]benzoxazepin-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-[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-[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?
The IUPAC name of N-[4-chloro-7,7-difluoro-9-methyl-3-[(3R)-1-prop-2-enoylazepan-3-yl]-6,8-dihydroimidazo[4,5-h][1,5]benzoxazepin-2-yl]benzamide;N-[10-chloro-7,7-difluoro-9-methyl-1-[(3R)-1-prop-2-enoylazepan-3-yl]-6,8-dihydroimidazo[4,5-h][1,5]benzoxazepin-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-[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-[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 (CID 159235080) is N-[4-chloro-7,7-difluoro-9-methyl-3-[(3R)-1-prop-2-enoylazepan-3-yl]-6,8-dihydroimidazo[4,5-h][1,5]benzoxazepin-2-yl]benzamide;N-[10-chloro-7,7-difluoro-9-methyl-1-[(3R)-1-prop-2-enoylazepan-3-yl]-6,8-dihydroimidazo[4,5-h][1,5]benzoxazepin-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-[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-[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.
What is the SMILES notation for N-[4-chloro-7,7-difluoro-9-methyl-3-[(3R)-1-prop-2-enoylazepan-3-yl]-6,8-dihydroimidazo[4,5-h][1,5]benzoxazepin-2-yl]benzamide;N-[10-chloro-7,7-difluoro-9-methyl-1-[(3R)-1-prop-2-enoylazepan-3-yl]-6,8-dihydroimidazo[4,5-h][1,5]benzoxazepin-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-[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-[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?
The canonical SMILES for N-[4-chloro-7,7-difluoro-9-methyl-3-[(3R)-1-prop-2-enoylazepan-3-yl]-6,8-dihydroimidazo[4,5-h][1,5]benzoxazepin-2-yl]benzamide;N-[10-chloro-7,7-difluoro-9-methyl-1-[(3R)-1-prop-2-enoylazepan-3-yl]-6,8-dihydroimidazo[4,5-h][1,5]benzoxazepin-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-[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-[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 is C=CC(=O)N1CCCC[C@@H](n2c(NC(=O)c3ccccc3)nc3cc4c(c(Cl)c32)N(C)CC(F)(F)CO4)C1.C=CC(=O)N1CCCC[C@@H](n2c(NC(=O)c3ccccc3)nc3cc4c(c(Cl)c32)OCC(F)(F)CN4C)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.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-7,7-difluoro-9-methyl-3-[(3R)-1-prop-2-enoylazepan-3-yl]-6,8-dihydroimidazo[4,5-h][1,5]benzoxazepin-2-yl]benzamide;N-[10-chloro-7,7-difluoro-9-methyl-1-[(3R)-1-prop-2-enoylazepan-3-yl]-6,8-dihydroimidazo[4,5-h][1,5]benzoxazepin-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-[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-[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?
The InChIKey is KTJFOGNFSINALL-GCKLVJSSSA-N. The full InChI is InChI=1S/C30H33F2N5O4.2C27H28ClF2N5O3.C26H28ClN7O3.C26H26ClN5O4.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;1-3-21(36)34-12-8-7-11-18(14-34)35-23-19(31-26(35)32-25(37)17-9-5-4-6-10-17)13-20-24(22(23)28)33(2)15-27(29,30)16-38-20;1-3-21(36)34-12-8-7-11-18(14-34)35-23-19(31-26(35)32-25(37)17-9-5-4-6-10-17)13-20-24(22(23)28)38-16-27(29,30)15-33(20)2;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;1-3-21(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;1-3-20(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);2*3-6,9-10,13,18H,1,7-8,11-12,14-16H2,2H3,(H,31,32,37);4,8-9,11-12,17H,1,5-7,10,13-14H2,2-3H3,(H,30,35)(H,29,31,37);3,7-8,10,12,18H,1,4-6,9,11,13-14H2,2H3,(H,29,30,35);3,7-8,10-11,16H,1,4-6,9,12-13H2,2H3,(H,29,33)(H,28,30,35)/b13-9+;;;;;/t22-;2*18-;17-;18-;16-/m111111/s1.
What are the key properties of N-[4-chloro-7,7-difluoro-9-methyl-3-[(3R)-1-prop-2-enoylazepan-3-yl]-6,8-dihydroimidazo[4,5-h][1,5]benzoxazepin-2-yl]benzamide;N-[10-chloro-7,7-difluoro-9-methyl-1-[(3R)-1-prop-2-enoylazepan-3-yl]-6,8-dihydroimidazo[4,5-h][1,5]benzoxazepin-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-[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-[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-chloro-7,7-difluoro-9-methyl-3-[(3R)-1-prop-2-enoylazepan-3-yl]-6,8-dihydroimidazo[4,5-h][1,5]benzoxazepin-2-yl]benzamide;N-[10-chloro-7,7-difluoro-9-methyl-1-[(3R)-1-prop-2-enoylazepan-3-yl]-6,8-dihydroimidazo[4,5-h][1,5]benzoxazepin-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-[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-[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 has a molecular weight of 3192.58 g/mol, XLogP of 26.79, 26 rotatable bonds, 8 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-7,7-difluoro-9-methyl-3-[(3R)-1-prop-2-enoylazepan-3-yl]-6,8-dihydroimidazo[4,5-h][1,5]benzoxazepin-2-yl]benzamide;N-[10-chloro-7,7-difluoro-9-methyl-1-[(3R)-1-prop-2-enoylazepan-3-yl]-6,8-dihydroimidazo[4,5-h][1,5]benzoxazepin-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-[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-[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 is sourced from PubChem (CID 159235080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).