About N-[10-chloro-7,7-difluoro-5-methyl-1-[(3R)-1-prop-2-enoylazepan-3-yl]-8,9-dihydro-6H-imidazo[4,5-h][1,5]benzodiazepin-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]-3-methylbenzamide;N-[9-chloro-7-oxo-1-[(3R)-1-prop-2-enoylazepan-3-yl]-8H-imidazo[4,5-g][1,4]benzoxazin-2-yl]-3-methylbenzamide;N-[4-chloro-7-oxo-3-[(3R)-1-prop-2-enoylazepan-3-yl]-8H-pyrano[3,2-f]benzimidazol-2-yl]-3-methylbenzamide;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-[10-chloro-7,7-difluoro-5-methyl-1-[(3R)-1-prop-2-enoylazepan-3-yl]-8,9-dihydro-6H-imidazo[4,5-h][1,5]benzodiazepin-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]-3-methylbenzamide;N-[9-chloro-7-oxo-1-[(3R)-1-prop-2-enoylazepan-3-yl]-8H-imidazo[4,5-g][1,4]benzoxazin-2-yl]-3-methylbenzamide;N-[4-chloro-7-oxo-3-[(3R)-1-prop-2-enoylazepan-3-yl]-8H-pyrano[3,2-f]benzimidazol-2-yl]-3-methylbenzamide;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 157277444) has the molecular formula C164H172Cl5F6N31O20
and a molecular weight of 3188.63 g/mol. Its IUPAC name is N-[10-chloro-7,7-difluoro-5-methyl-1-[(3R)-1-prop-2-enoylazepan-3-yl]-8,9-dihydro-6H-imidazo[4,5-h][1,5]benzodiazepin-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]-3-methylbenzamide;N-[9-chloro-7-oxo-1-[(3R)-1-prop-2-enoylazepan-3-yl]-8H-imidazo[4,5-g][1,4]benzoxazin-2-yl]-3-methylbenzamide;N-[4-chloro-7-oxo-3-[(3R)-1-prop-2-enoylazepan-3-yl]-8H-pyrano[3,2-f]benzimidazol-2-yl]-3-methylbenzamide;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-[10-chloro-7,7-difluoro-5-methyl-1-[(3R)-1-prop-2-enoylazepan-3-yl]-8,9-dihydro-6H-imidazo[4,5-h][1,5]benzodiazepin-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]-3-methylbenzamide;N-[9-chloro-7-oxo-1-[(3R)-1-prop-2-enoylazepan-3-yl]-8H-imidazo[4,5-g][1,4]benzoxazin-2-yl]-3-methylbenzamide;N-[4-chloro-7-oxo-3-[(3R)-1-prop-2-enoylazepan-3-yl]-8H-pyrano[3,2-f]benzimidazol-2-yl]-3-methylbenzamide;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-[10-chloro-7,7-difluoro-5-methyl-1-[(3R)-1-prop-2-enoylazepan-3-yl]-8,9-dihydro-6H-imidazo[4,5-h][1,5]benzodiazepin-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]-3-methylbenzamide;N-[9-chloro-7-oxo-1-[(3R)-1-prop-2-enoylazepan-3-yl]-8H-imidazo[4,5-g][1,4]benzoxazin-2-yl]-3-methylbenzamide;N-[4-chloro-7-oxo-3-[(3R)-1-prop-2-enoylazepan-3-yl]-8H-pyrano[3,2-f]benzimidazol-2-yl]-3-methylbenzamide;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 157277444) is N-[10-chloro-7,7-difluoro-5-methyl-1-[(3R)-1-prop-2-enoylazepan-3-yl]-8,9-dihydro-6H-imidazo[4,5-h][1,5]benzodiazepin-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]-3-methylbenzamide;N-[9-chloro-7-oxo-1-[(3R)-1-prop-2-enoylazepan-3-yl]-8H-imidazo[4,5-g][1,4]benzoxazin-2-yl]-3-methylbenzamide;N-[4-chloro-7-oxo-3-[(3R)-1-prop-2-enoylazepan-3-yl]-8H-pyrano[3,2-f]benzimidazol-2-yl]-3-methylbenzamide;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-[10-chloro-7,7-difluoro-5-methyl-1-[(3R)-1-prop-2-enoylazepan-3-yl]-8,9-dihydro-6H-imidazo[4,5-h][1,5]benzodiazepin-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]-3-methylbenzamide;N-[9-chloro-7-oxo-1-[(3R)-1-prop-2-enoylazepan-3-yl]-8H-imidazo[4,5-g][1,4]benzoxazin-2-yl]-3-methylbenzamide;N-[4-chloro-7-oxo-3-[(3R)-1-prop-2-enoylazepan-3-yl]-8H-pyrano[3,2-f]benzimidazol-2-yl]-3-methylbenzamide;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-[10-chloro-7,7-difluoro-5-methyl-1-[(3R)-1-prop-2-enoylazepan-3-yl]-8,9-dihydro-6H-imidazo[4,5-h][1,5]benzodiazepin-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]-3-methylbenzamide;N-[9-chloro-7-oxo-1-[(3R)-1-prop-2-enoylazepan-3-yl]-8H-imidazo[4,5-g][1,4]benzoxazin-2-yl]-3-methylbenzamide;N-[4-chloro-7-oxo-3-[(3R)-1-prop-2-enoylazepan-3-yl]-8H-pyrano[3,2-f]benzimidazol-2-yl]-3-methylbenzamide;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)c3cccc(C)c3)nc3cc4c(c(Cl)c32)NC(=O)CN4C)C1.C=CC(=O)N1CCCC[C@@H](n2c(NC(=O)c3cccc(C)c3)nc3cc4c(c(Cl)c32)NC(=O)CO4)C1.C=CC(=O)N1CCCC[C@@H](n2c(NC(=O)c3cccc(C)c3)nc3cc4c(c(Cl)c32)OCC(=O)C4)C1.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)NCC(F)(F)CN4C)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-[10-chloro-7,7-difluoro-5-methyl-1-[(3R)-1-prop-2-enoylazepan-3-yl]-8,9-dihydro-6H-imidazo[4,5-h][1,5]benzodiazepin-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]-3-methylbenzamide;N-[9-chloro-7-oxo-1-[(3R)-1-prop-2-enoylazepan-3-yl]-8H-imidazo[4,5-g][1,4]benzoxazin-2-yl]-3-methylbenzamide;N-[4-chloro-7-oxo-3-[(3R)-1-prop-2-enoylazepan-3-yl]-8H-pyrano[3,2-f]benzimidazol-2-yl]-3-methylbenzamide;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 AZGSGEAPJQNMTH-LYRDZNBOSA-N. The full InChI is InChI=1S/C30H33F2N5O4.C27H29ClF2N6O2.C27H28ClF2N5O3.C27H29ClN6O3.C27H27ClN4O4.C26H26ClN5O4/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(37)35-12-8-7-11-18(14-35)36-24-19(32-26(36)33-25(38)17-9-5-4-6-10-17)13-20-23(22(24)28)31-15-27(29,30)16-34(20)2;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;1-4-22(36)33-11-6-5-10-18(14-33)34-25-19(13-20-24(23(25)28)30-21(35)15-32(20)3)29-27(34)31-26(37)17-9-7-8-16(2)12-17;1-3-22(34)31-10-5-4-9-19(14-31)32-24-21(13-18-12-20(33)15-36-25(18)23(24)28)29-27(32)30-26(35)17-8-6-7-16(2)11-17;1-3-21(34)31-10-5-4-9-17(13-31)32-24-18(12-19-23(22(24)27)29-20(33)14-36-19)28-26(32)30-25(35)16-8-6-7-15(2)11-16/h2-4,9-11,13,18,22H,5-8,12,14-17,19H2,1H3,(H,33,34,39);3-6,9-10,13,18,31H,1,7-8,11-12,14-16H2,2H3,(H,32,33,38);3-6,9-10,13,18H,1,7-8,11-12,14-16H2,2H3,(H,31,32,37);4,7-9,12-13,18H,1,5-6,10-11,14-15H2,2-3H3,(H,30,35)(H,29,31,37);3,6-8,11,13,19H,1,4-5,9-10,12,14-15H2,2H3,(H,29,30,35);3,6-8,11-12,17H,1,4-5,9-10,13-14H2,2H3,(H,29,33)(H,28,30,35)/b13-9+;;;;;/t22-;3*18-;19-;17-/m111111/s1.
What are the key properties of N-[10-chloro-7,7-difluoro-5-methyl-1-[(3R)-1-prop-2-enoylazepan-3-yl]-8,9-dihydro-6H-imidazo[4,5-h][1,5]benzodiazepin-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]-3-methylbenzamide;N-[9-chloro-7-oxo-1-[(3R)-1-prop-2-enoylazepan-3-yl]-8H-imidazo[4,5-g][1,4]benzoxazin-2-yl]-3-methylbenzamide;N-[4-chloro-7-oxo-3-[(3R)-1-prop-2-enoylazepan-3-yl]-8H-pyrano[3,2-f]benzimidazol-2-yl]-3-methylbenzamide;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-[10-chloro-7,7-difluoro-5-methyl-1-[(3R)-1-prop-2-enoylazepan-3-yl]-8,9-dihydro-6H-imidazo[4,5-h][1,5]benzodiazepin-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]-3-methylbenzamide;N-[9-chloro-7-oxo-1-[(3R)-1-prop-2-enoylazepan-3-yl]-8H-imidazo[4,5-g][1,4]benzoxazin-2-yl]-3-methylbenzamide;N-[4-chloro-7-oxo-3-[(3R)-1-prop-2-enoylazepan-3-yl]-8H-pyrano[3,2-f]benzimidazol-2-yl]-3-methylbenzamide;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 3188.63 g/mol, XLogP of 28.64, 26 rotatable bonds, 9 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for N-[10-chloro-7,7-difluoro-5-methyl-1-[(3R)-1-prop-2-enoylazepan-3-yl]-8,9-dihydro-6H-imidazo[4,5-h][1,5]benzodiazepin-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]-3-methylbenzamide;N-[9-chloro-7-oxo-1-[(3R)-1-prop-2-enoylazepan-3-yl]-8H-imidazo[4,5-g][1,4]benzoxazin-2-yl]-3-methylbenzamide;N-[4-chloro-7-oxo-3-[(3R)-1-prop-2-enoylazepan-3-yl]-8H-pyrano[3,2-f]benzimidazol-2-yl]-3-methylbenzamide;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 157277444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).