N-[9-cyclopropyl-1-[(3R)-1-prop-2-enoylazepan-3-yl]-7,8-dihydroimidazo[4,5-f][1,4]benzoxazin-2-yl]-2-methylpyridine-4-carboxamide;N-[8,8-difluoro-1-[(3R)-1-prop-2-enoylazepan-3-yl]-7,9-dihydro-[1,4]dioxepino[2,3-e]benzimidazol-2-yl]-3-methylbenzamide;3-hydroxy-N-[1-[(3R)-1-prop-2-enoylazepan-3-yl]-7,8-dihydro-[1,4]dioxino[2,3-e]benzimidazol-2-yl]benzamide;methane;3-methoxy-N-[1-[(3R)-1-prop-2-enoylazepan-3-yl]-7,8-dihydro-[1,4]dioxino[2,3-e]benzimidazol-2-yl]benzamide;3-methyl-N-[1-[(3R)-1-prop-2-enoylazepan-3-yl]-8,9-dihydro-7H-[1,4]dioxepino[2,3-e]benzimidazol-2-yl]benzamide;3-methyl-N-[1-[(3R)-1-prop-2-enoylazepan-3-yl]-7,8-dihydro-[1,4]dioxino[2,3-e]benzimidazol-2-yl]benzamide;bis(2-methyl-N-[1-[(3R)-1-prop-2-enoylazepan-3-yl]-7,8-dihydro-[1,4]dioxino[2,3-e]benzimidazol-2-yl]pyridine-4-carboxamide);2-methyl-N-[3-[(3R)-1-prop-2-enoylazepan-3-yl]-10,13,16-trioxa-3,5-diazatricyclo[7.7.0.02,6]hexadeca-1(9),2(6),4,7-tetraen-4-yl]pyridine-4-carboxamide;N-[1-[(3R)-1-[(E)-pent-2-enoyl]azepan-3-yl]-7,8-dihydro-[1,4]dioxino[2,3-e]benzimidazol-2-yl]-2-(trifluoromethyl)pyridine-4-carboxamide

C264H289F5N46O42 — CID 158152405

IUPACN-[9-cyclopropyl-1-[(3R)-1-prop-2-enoylazepan-3-yl]-7,8-dihydroimidazo[4,5-f][1,4]benzoxazin-2-yl]-2-methylpyridine-4-carboxamide;N-[8,8-difluoro-1-[(3R)-1-prop-2-enoylazepan-3-yl]-7,9-dihydro-[1,4]dioxepino[2,3-e]benzimidazol-2-yl]-3-methylbenzamide;3-hydroxy-N-[1-[(3R)-1-prop-2-enoylazepan-3-yl]-7,8-dihydro-[1,4]dioxino[2,3-e]benzimidazol-2-yl]benzamide;methane;3-methoxy-N-[1-[(3R)-1-prop-2-enoylazepan-3-yl]-7,8-dihydro-[1,4]dioxino[2,3-e]benzimidazol-2-yl]benzamide;3-methyl-N-[1-[(3R)-1-prop-2-enoylazepan-3-yl]-8,9-dihydro-7H-[1,4]dioxepino[2,3-e]benzimidazol-2-yl]benzamide;3-methyl-N-[1-[(3R)-1-prop-2-enoylazepan-3-yl]-7,8-dihydro-[1,4]dioxino[2,3-e]benzimidazol-2-yl]benzamide;bis(2-methyl-N-[1-[(3R)-1-prop-2-enoylazepan-3-yl]-7,8-dihydro-[1,4]dioxino[2,3-e]benzimidazol-2-yl]pyridine-4-carboxamide);2-methyl-N-[3-[(3R)-1-prop-2-enoylazepan-3-yl]-10,13,16-trioxa-3,5-diazatricyclo[7.7.0.02,6]hexadeca-1(9),2(6),4,7-tetraen-4-yl]pyridine-4-carboxamide;N-[1-[(3R)-1-[(E)-pent-2-enoyl]azepan-3-yl]-7,8-dihydro-[1,4]dioxino[2,3-e]benzimidazol-2-yl]-2-(trifluoromethyl)pyridine-4-carboxamide
SMILESC.C=CC(=O)N1CCCC[C@@H](n2c(NC(=O)c3cccc(C)c3)nc3ccc4c(c32)OCC(F)(F)CO4)C1.C=CC(=O)N1CCCC[C@@H](n2c(NC(=O)c3cccc(C)c3)nc3ccc4c(c32)OCCCO4)C1.C=CC(=O)N1CCCC[C@@H](n2c(NC(=O)c3cccc(C)c3)nc3ccc4c(c32)OCCO4)C1.C=CC(=O)N1CCCC[C@@H](n2c(NC(=O)c3cccc(O)c3)nc3ccc4c(c32)OCCO4)C1.C=CC(=O)N1CCCC[C@@H](n2c(NC(=O)c3cccc(OC)c3)nc3ccc4c(c32)OCCO4)C1.C=CC(=O)N1CCCC[C@@H](n2c(NC(=O)c3ccnc(C)c3)nc3ccc4c(c32)N(C2CC2)CCO4)C1.C=CC(=O)N1CCCC[C@@H](n2c(NC(=O)c3ccnc(C)c3)nc3ccc4c(c32)OCCO4)C1.C=CC(=O)N1CCCC[C@@H](n2c(NC(=O)c3ccnc(C)c3)nc3ccc4c(c32)OCCO4)C1.C=CC(=O)N1CCCC[C@@H](n2c(NC(=O)c3ccnc(C)c3)nc3ccc4c(c32)OCCOCCO4)C1.CC/C=C/C(=O)N1CCCC[C@@H](n2c(NC(=O)c3ccnc(C(F)(F)F)c3)nc3ccc4c(c32)OCCO4)C1
InChIInChI=1S/C28H32N6O3.C27H28F3N5O4.C27H28F2N4O4.C27H31N5O5.C27H30N4O4.C26H28N4O5.C26H28N4O4.2C25H27N5O4.C25H26N4O5.CH4/c1-3-24(35)32-13-5-4-6-21(17-32)34-25-22(9-10-23-26(25)33(14-15-37-23)20-7-8-20)30-28(34)31-27(36)19-11-12-29-18(2)16-19;1-2-3-7-22(36)34-12-5-4-6-18(16-34)35-23-19(8-9-20-24(23)39-14-13-38-20)32-26(35)33-25(37)17-10-11-31-21(15-17)27(28,29)30;1-3-22(34)32-12-5-4-9-19(14-32)33-23-20(10-11-21-24(23)37-16-27(28,29)15-36-21)30-26(33)31-25(35)18-8-6-7-17(2)13-18;1-3-23(33)31-11-5-4-6-20(17-31)32-24-21(7-8-22-25(24)37-15-13-35-12-14-36-22)29-27(32)30-26(34)19-9-10-28-18(2)16-19;1-3-23(32)30-13-5-4-10-20(17-30)31-24-21(11-12-22-25(24)35-15-7-14-34-22)28-27(31)29-26(33)19-9-6-8-18(2)16-19;1-3-22(31)29-12-5-4-8-18(16-29)30-23-20(10-11-21-24(23)35-14-13-34-21)27-26(30)28-25(32)17-7-6-9-19(15-17)33-2;1-3-22(31)29-12-5-4-9-19(16-29)30-23-20(10-11-21-24(23)34-14-13-33-21)27-26(30)28-25(32)18-8-6-7-17(2)15-18;2*1-3-21(31)29-11-5-4-6-18(15-29)30-22-19(7-8-20-23(22)34-13-12-33-20)27-25(30)28-24(32)17-9-10-26-16(2)14-17;1-2-21(31)28-11-4-3-7-17(15-28)29-22-19(9-10-20-23(22)34-13-12-33-20)26-25(29)27-24(32)16-6-5-8-18(30)14-16;/h3,9-12,16,20-21H,1,4-8,13-15,17H2,2H3,(H,30,31,36);3,7-11,15,18H,2,4-6,12-14,16H2,1H3,(H,32,33,37);3,6-8,10-11,13,19H,1,4-5,9,12,14-16H2,2H3,(H,30,31,35);3,7-10,16,20H,1,4-6,11-15,17H2,2H3,(H,29,30,34);3,6,8-9,11-12,16,20H,1,4-5,7,10,13-15,17H2,2H3,(H,28,29,33);3,6-7,9-11,15,18H,1,4-5,8,12-14,16H2,2H3,(H,27,28,32);3,6-8,10-11,15,19H,1,4-5,9,12-14,16H2,2H3,(H,27,28,32);2*3,7-10,14,18H,1,4-6,11-13,15H2,2H3,(H,27,28,32);2,5-6,8-10,14,17,30H,1,3-4,7,11-13,15H2,(H,26,27,32);1H4/b;7-3+;;;;;;;;;/t21-;18-;19-;2*20-;18-;19-;2*18-;17-;/m1111111111./s1
InChIKeyFVGSLJWQQSHTHD-ZRVOIDLQSA-N
MW4873.49 g/mol
LogP40.91
Rot. Bonds43

About N-[9-cyclopropyl-1-[(3R)-1-prop-2-enoylazepan-3-yl]-7,8-dihydroimidazo[4,5-f][1,4]benzoxazin-2-yl]-2-methylpyridine-4-carboxamide;N-[8,8-difluoro-1-[(3R)-1-prop-2-enoylazepan-3-yl]-7,9-dihydro-[1,4]dioxepino[2,3-e]benzimidazol-2-yl]-3-methylbenzamide;3-hydroxy-N-[1-[(3R)-1-prop-2-enoylazepan-3-yl]-7,8-dihydro-[1,4]dioxino[2,3-e]benzimidazol-2-yl]benzamide;methane;3-methoxy-N-[1-[(3R)-1-prop-2-enoylazepan-3-yl]-7,8-dihydro-[1,4]dioxino[2,3-e]benzimidazol-2-yl]benzamide;3-methyl-N-[1-[(3R)-1-prop-2-enoylazepan-3-yl]-8,9-dihydro-7H-[1,4]dioxepino[2,3-e]benzimidazol-2-yl]benzamide;3-methyl-N-[1-[(3R)-1-prop-2-enoylazepan-3-yl]-7,8-dihydro-[1,4]dioxino[2,3-e]benzimidazol-2-yl]benzamide;bis(2-methyl-N-[1-[(3R)-1-prop-2-enoylazepan-3-yl]-7,8-dihydro-[1,4]dioxino[2,3-e]benzimidazol-2-yl]pyridine-4-carboxamide);2-methyl-N-[3-[(3R)-1-prop-2-enoylazepan-3-yl]-10,13,16-trioxa-3,5-diazatricyclo[7.7.0.02,6]hexadeca-1(9),2(6),4,7-tetraen-4-yl]pyridine-4-carboxamide;N-[1-[(3R)-1-[(E)-pent-2-enoyl]azepan-3-yl]-7,8-dihydro-[1,4]dioxino[2,3-e]benzimidazol-2-yl]-2-(trifluoromethyl)pyridine-4-carboxamide

N-[9-cyclopropyl-1-[(3R)-1-prop-2-enoylazepan-3-yl]-7,8-dihydroimidazo[4,5-f][1,4]benzoxazin-2-yl]-2-methylpyridine-4-carboxamide;N-[8,8-difluoro-1-[(3R)-1-prop-2-enoylazepan-3-yl]-7,9-dihydro-[1,4]dioxepino[2,3-e]benzimidazol-2-yl]-3-methylbenzamide;3-hydroxy-N-[1-[(3R)-1-prop-2-enoylazepan-3-yl]-7,8-dihydro-[1,4]dioxino[2,3-e]benzimidazol-2-yl]benzamide;methane;3-methoxy-N-[1-[(3R)-1-prop-2-enoylazepan-3-yl]-7,8-dihydro-[1,4]dioxino[2,3-e]benzimidazol-2-yl]benzamide;3-methyl-N-[1-[(3R)-1-prop-2-enoylazepan-3-yl]-8,9-dihydro-7H-[1,4]dioxepino[2,3-e]benzimidazol-2-yl]benzamide;3-methyl-N-[1-[(3R)-1-prop-2-enoylazepan-3-yl]-7,8-dihydro-[1,4]dioxino[2,3-e]benzimidazol-2-yl]benzamide;bis(2-methyl-N-[1-[(3R)-1-prop-2-enoylazepan-3-yl]-7,8-dihydro-[1,4]dioxino[2,3-e]benzimidazol-2-yl]pyridine-4-carboxamide);2-methyl-N-[3-[(3R)-1-prop-2-enoylazepan-3-yl]-10,13,16-trioxa-3,5-diazatricyclo[7.7.0.02,6]hexadeca-1(9),2(6),4,7-tetraen-4-yl]pyridine-4-carboxamide;N-[1-[(3R)-1-[(E)-pent-2-enoyl]azepan-3-yl]-7,8-dihydro-[1,4]dioxino[2,3-e]benzimidazol-2-yl]-2-(trifluoromethyl)pyridine-4-carboxamide (PubChem CID 158152405) has the molecular formula C264H289F5N46O42 and a molecular weight of 4873.49 g/mol. Its IUPAC name is N-[9-cyclopropyl-1-[(3R)-1-prop-2-enoylazepan-3-yl]-7,8-dihydroimidazo[4,5-f][1,4]benzoxazin-2-yl]-2-methylpyridine-4-carboxamide;N-[8,8-difluoro-1-[(3R)-1-prop-2-enoylazepan-3-yl]-7,9-dihydro-[1,4]dioxepino[2,3-e]benzimidazol-2-yl]-3-methylbenzamide;3-hydroxy-N-[1-[(3R)-1-prop-2-enoylazepan-3-yl]-7,8-dihydro-[1,4]dioxino[2,3-e]benzimidazol-2-yl]benzamide;methane;3-methoxy-N-[1-[(3R)-1-prop-2-enoylazepan-3-yl]-7,8-dihydro-[1,4]dioxino[2,3-e]benzimidazol-2-yl]benzamide;3-methyl-N-[1-[(3R)-1-prop-2-enoylazepan-3-yl]-8,9-dihydro-7H-[1,4]dioxepino[2,3-e]benzimidazol-2-yl]benzamide;3-methyl-N-[1-[(3R)-1-prop-2-enoylazepan-3-yl]-7,8-dihydro-[1,4]dioxino[2,3-e]benzimidazol-2-yl]benzamide;bis(2-methyl-N-[1-[(3R)-1-prop-2-enoylazepan-3-yl]-7,8-dihydro-[1,4]dioxino[2,3-e]benzimidazol-2-yl]pyridine-4-carboxamide);2-methyl-N-[3-[(3R)-1-prop-2-enoylazepan-3-yl]-10,13,16-trioxa-3,5-diazatricyclo[7.7.0.02,6]hexadeca-1(9),2(6),4,7-tetraen-4-yl]pyridine-4-carboxamide;N-[1-[(3R)-1-[(E)-pent-2-enoyl]azepan-3-yl]-7,8-dihydro-[1,4]dioxino[2,3-e]benzimidazol-2-yl]-2-(trifluoromethyl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[9-cyclopropyl-1-[(3R)-1-prop-2-enoylazepan-3-yl]-7,8-dihydroimidazo[4,5-f][1,4]benzoxazin-2-yl]-2-methylpyridine-4-carboxamide;N-[8,8-difluoro-1-[(3R)-1-prop-2-enoylazepan-3-yl]-7,9-dihydro-[1,4]dioxepino[2,3-e]benzimidazol-2-yl]-3-methylbenzamide;3-hydroxy-N-[1-[(3R)-1-prop-2-enoylazepan-3-yl]-7,8-dihydro-[1,4]dioxino[2,3-e]benzimidazol-2-yl]benzamide;methane;3-methoxy-N-[1-[(3R)-1-prop-2-enoylazepan-3-yl]-7,8-dihydro-[1,4]dioxino[2,3-e]benzimidazol-2-yl]benzamide;3-methyl-N-[1-[(3R)-1-prop-2-enoylazepan-3-yl]-8,9-dihydro-7H-[1,4]dioxepino[2,3-e]benzimidazol-2-yl]benzamide;3-methyl-N-[1-[(3R)-1-prop-2-enoylazepan-3-yl]-7,8-dihydro-[1,4]dioxino[2,3-e]benzimidazol-2-yl]benzamide;bis(2-methyl-N-[1-[(3R)-1-prop-2-enoylazepan-3-yl]-7,8-dihydro-[1,4]dioxino[2,3-e]benzimidazol-2-yl]pyridine-4-carboxamide);2-methyl-N-[3-[(3R)-1-prop-2-enoylazepan-3-yl]-10,13,16-trioxa-3,5-diazatricyclo[7.7.0.02,6]hexadeca-1(9),2(6),4,7-tetraen-4-yl]pyridine-4-carboxamide;N-[1-[(3R)-1-[(E)-pent-2-enoyl]azepan-3-yl]-7,8-dihydro-[1,4]dioxino[2,3-e]benzimidazol-2-yl]-2-(trifluoromethyl)pyridine-4-carboxamide
PubChem CID158152405
Molecular FormulaC264H289F5N46O42
Molecular Weight4873.49 g/mol
Exact Mass4870.18
IUPAC NameN-[9-cyclopropyl-1-[(3R)-1-prop-2-enoylazepan-3-yl]-7,8-dihydroimidazo[4,5-f][1,4]benzoxazin-2-yl]-2-methylpyridine-4-carboxamide;N-[8,8-difluoro-1-[(3R)-1-prop-2-enoylazepan-3-yl]-7,9-dihydro-[1,4]dioxepino[2,3-e]benzimidazol-2-yl]-3-methylbenzamide;3-hydroxy-N-[1-[(3R)-1-prop-2-enoylazepan-3-yl]-7,8-dihydro-[1,4]dioxino[2,3-e]benzimidazol-2-yl]benzamide;methane;3-methoxy-N-[1-[(3R)-1-prop-2-enoylazepan-3-yl]-7,8-dihydro-[1,4]dioxino[2,3-e]benzimidazol-2-yl]benzamide;3-methyl-N-[1-[(3R)-1-prop-2-enoylazepan-3-yl]-8,9-dihydro-7H-[1,4]dioxepino[2,3-e]benzimidazol-2-yl]benzamide;3-methyl-N-[1-[(3R)-1-prop-2-enoylazepan-3-yl]-7,8-dihydro-[1,4]dioxino[2,3-e]benzimidazol-2-yl]benzamide;bis(2-methyl-N-[1-[(3R)-1-prop-2-enoylazepan-3-yl]-7,8-dihydro-[1,4]dioxino[2,3-e]benzimidazol-2-yl]pyridine-4-carboxamide);2-methyl-N-[3-[(3R)-1-prop-2-enoylazepan-3-yl]-10,13,16-trioxa-3,5-diazatricyclo[7.7.0.02,6]hexadeca-1(9),2(6),4,7-tetraen-4-yl]pyridine-4-carboxamide;N-[1-[(3R)-1-[(E)-pent-2-enoyl]azepan-3-yl]-7,8-dihydro-[1,4]dioxino[2,3-e]benzimidazol-2-yl]-2-(trifluoromethyl)pyridine-4-carboxamide
SMILESC.C=CC(=O)N1CCCC[C@@H](n2c(NC(=O)c3cccc(C)c3)nc3ccc4c(c32)OCC(F)(F)CO4)C1.C=CC(=O)N1CCCC[C@@H](n2c(NC(=O)c3cccc(C)c3)nc3ccc4c(c32)OCCCO4)C1.C=CC(=O)N1CCCC[C@@H](n2c(NC(=O)c3cccc(C)c3)nc3ccc4c(c32)OCCO4)C1.C=CC(=O)N1CCCC[C@@H](n2c(NC(=O)c3cccc(O)c3)nc3ccc4c(c32)OCCO4)C1.C=CC(=O)N1CCCC[C@@H](n2c(NC(=O)c3cccc(OC)c3)nc3ccc4c(c32)OCCO4)C1.C=CC(=O)N1CCCC[C@@H](n2c(NC(=O)c3ccnc(C)c3)nc3ccc4c(c32)N(C2CC2)CCO4)C1.C=CC(=O)N1CCCC[C@@H](n2c(NC(=O)c3ccnc(C)c3)nc3ccc4c(c32)OCCO4)C1.C=CC(=O)N1CCCC[C@@H](n2c(NC(=O)c3ccnc(C)c3)nc3ccc4c(c32)OCCO4)C1.C=CC(=O)N1CCCC[C@@H](n2c(NC(=O)c3ccnc(C)c3)nc3ccc4c(c32)OCCOCCO4)C1.CC/C=C/C(=O)N1CCCC[C@@H](n2c(NC(=O)c3ccnc(C(F)(F)F)c3)nc3ccc4c(c32)OCCO4)C1
InChIInChI=1S/C28H32N6O3.C27H28F3N5O4.C27H28F2N4O4.C27H31N5O5.C27H30N4O4.C26H28N4O5.C26H28N4O4.2C25H27N5O4.C25H26N4O5.CH4/c1-3-24(35)32-13-5-4-6-21(17-32)34-25-22(9-10-23-26(25)33(14-15-37-23)20-7-8-20)30-28(34)31-27(36)19-11-12-29-18(2)16-19;1-2-3-7-22(36)34-12-5-4-6-18(16-34)35-23-19(8-9-20-24(23)39-14-13-38-20)32-26(35)33-25(37)17-10-11-31-21(15-17)27(28,29)30;1-3-22(34)32-12-5-4-9-19(14-32)33-23-20(10-11-21-24(23)37-16-27(28,29)15-36-21)30-26(33)31-25(35)18-8-6-7-17(2)13-18;1-3-23(33)31-11-5-4-6-20(17-31)32-24-21(7-8-22-25(24)37-15-13-35-12-14-36-22)29-27(32)30-26(34)19-9-10-28-18(2)16-19;1-3-23(32)30-13-5-4-10-20(17-30)31-24-21(11-12-22-25(24)35-15-7-14-34-22)28-27(31)29-26(33)19-9-6-8-18(2)16-19;1-3-22(31)29-12-5-4-8-18(16-29)30-23-20(10-11-21-24(23)35-14-13-34-21)27-26(30)28-25(32)17-7-6-9-19(15-17)33-2;1-3-22(31)29-12-5-4-9-19(16-29)30-23-20(10-11-21-24(23)34-14-13-33-21)27-26(30)28-25(32)18-8-6-7-17(2)15-18;2*1-3-21(31)29-11-5-4-6-18(15-29)30-22-19(7-8-20-23(22)34-13-12-33-20)27-25(30)28-24(32)17-9-10-26-16(2)14-17;1-2-21(31)28-11-4-3-7-17(15-28)29-22-19(9-10-20-23(22)34-13-12-33-20)26-25(29)27-24(32)16-6-5-8-18(30)14-16;/h3,9-12,16,20-21H,1,4-8,13-15,17H2,2H3,(H,30,31,36);3,7-11,15,18H,2,4-6,12-14,16H2,1H3,(H,32,33,37);3,6-8,10-11,13,19H,1,4-5,9,12,14-16H2,2H3,(H,30,31,35);3,7-10,16,20H,1,4-6,11-15,17H2,2H3,(H,29,30,34);3,6,8-9,11-12,16,20H,1,4-5,7,10,13-15,17H2,2H3,(H,28,29,33);3,6-7,9-11,15,18H,1,4-5,8,12-14,16H2,2H3,(H,27,28,32);3,6-8,10-11,15,19H,1,4-5,9,12-14,16H2,2H3,(H,27,28,32);2*3,7-10,14,18H,1,4-6,11-13,15H2,2H3,(H,27,28,32);2,5-6,8-10,14,17,30H,1,3-4,7,11-13,15H2,(H,26,27,32);1H4/b;7-3+;;;;;;;;;/t21-;18-;19-;2*20-;18-;19-;2*18-;17-;/m1111111111./s1
InChIKeyFVGSLJWQQSHTHD-ZRVOIDLQSA-N
XLogP40.91
TPSA954.05 Ų
H-Bond Donors11
H-Bond Acceptors68
Rotatable Bonds43
Heavy Atoms357
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004873.49
LogP ≤ 540.91
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1068

Analyze N-[9-cyclopropyl-1-[(3R)-1-prop-2-enoylazepan-3-yl]-7,8-dihydroimidazo[4,5-f][1,4]benzoxazin-2-yl]-2-methylpyridine-4-carboxamide;N-[8,8-difluoro-1-[(3R)-1-prop-2-enoylazepan-3-yl]-7,9-dihydro-[1,4]dioxepino[2,3-e]benzimidazol-2-yl]-3-methylbenzamide;3-hydroxy-N-[1-[(3R)-1-prop-2-enoylazepan-3-yl]-7,8-dihydro-[1,4]dioxino[2,3-e]benzimidazol-2-yl]benzamide;methane;3-methoxy-N-[1-[(3R)-1-prop-2-enoylazepan-3-yl]-7,8-dihydro-[1,4]dioxino[2,3-e]benzimidazol-2-yl]benzamide;3-methyl-N-[1-[(3R)-1-prop-2-enoylazepan-3-yl]-8,9-dihydro-7H-[1,4]dioxepino[2,3-e]benzimidazol-2-yl]benzamide;3-methyl-N-[1-[(3R)-1-prop-2-enoylazepan-3-yl]-7,8-dihydro-[1,4]dioxino[2,3-e]benzimidazol-2-yl]benzamide;bis(2-methyl-N-[1-[(3R)-1-prop-2-enoylazepan-3-yl]-7,8-dihydro-[1,4]dioxino[2,3-e]benzimidazol-2-yl]pyridine-4-carboxamide);2-methyl-N-[3-[(3R)-1-prop-2-enoylazepan-3-yl]-10,13,16-trioxa-3,5-diazatricyclo[7.7.0.02,6]hexadeca-1(9),2(6),4,7-tetraen-4-yl]pyridine-4-carboxamide;N-[1-[(3R)-1-[(E)-pent-2-enoyl]azepan-3-yl]-7,8-dihydro-[1,4]dioxino[2,3-e]benzimidazol-2-yl]-2-(trifluoromethyl)pyridine-4-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[9-cyclopropyl-1-[(3R)-1-prop-2-enoylazepan-3-yl]-7,8-dihydroimidazo[4,5-f][1,4]benzoxazin-2-yl]-2-methylpyridine-4-carboxamide;N-[8,8-difluoro-1-[(3R)-1-prop-2-enoylazepan-3-yl]-7,9-dihydro-[1,4]dioxepino[2,3-e]benzimidazol-2-yl]-3-methylbenzamide;3-hydroxy-N-[1-[(3R)-1-prop-2-enoylazepan-3-yl]-7,8-dihydro-[1,4]dioxino[2,3-e]benzimidazol-2-yl]benzamide;methane;3-methoxy-N-[1-[(3R)-1-prop-2-enoylazepan-3-yl]-7,8-dihydro-[1,4]dioxino[2,3-e]benzimidazol-2-yl]benzamide;3-methyl-N-[1-[(3R)-1-prop-2-enoylazepan-3-yl]-8,9-dihydro-7H-[1,4]dioxepino[2,3-e]benzimidazol-2-yl]benzamide;3-methyl-N-[1-[(3R)-1-prop-2-enoylazepan-3-yl]-7,8-dihydro-[1,4]dioxino[2,3-e]benzimidazol-2-yl]benzamide;bis(2-methyl-N-[1-[(3R)-1-prop-2-enoylazepan-3-yl]-7,8-dihydro-[1,4]dioxino[2,3-e]benzimidazol-2-yl]pyridine-4-carboxamide);2-methyl-N-[3-[(3R)-1-prop-2-enoylazepan-3-yl]-10,13,16-trioxa-3,5-diazatricyclo[7.7.0.02,6]hexadeca-1(9),2(6),4,7-tetraen-4-yl]pyridine-4-carboxamide;N-[1-[(3R)-1-[(E)-pent-2-enoyl]azepan-3-yl]-7,8-dihydro-[1,4]dioxino[2,3-e]benzimidazol-2-yl]-2-(trifluoromethyl)pyridine-4-carboxamide?
The IUPAC name of N-[9-cyclopropyl-1-[(3R)-1-prop-2-enoylazepan-3-yl]-7,8-dihydroimidazo[4,5-f][1,4]benzoxazin-2-yl]-2-methylpyridine-4-carboxamide;N-[8,8-difluoro-1-[(3R)-1-prop-2-enoylazepan-3-yl]-7,9-dihydro-[1,4]dioxepino[2,3-e]benzimidazol-2-yl]-3-methylbenzamide;3-hydroxy-N-[1-[(3R)-1-prop-2-enoylazepan-3-yl]-7,8-dihydro-[1,4]dioxino[2,3-e]benzimidazol-2-yl]benzamide;methane;3-methoxy-N-[1-[(3R)-1-prop-2-enoylazepan-3-yl]-7,8-dihydro-[1,4]dioxino[2,3-e]benzimidazol-2-yl]benzamide;3-methyl-N-[1-[(3R)-1-prop-2-enoylazepan-3-yl]-8,9-dihydro-7H-[1,4]dioxepino[2,3-e]benzimidazol-2-yl]benzamide;3-methyl-N-[1-[(3R)-1-prop-2-enoylazepan-3-yl]-7,8-dihydro-[1,4]dioxino[2,3-e]benzimidazol-2-yl]benzamide;bis(2-methyl-N-[1-[(3R)-1-prop-2-enoylazepan-3-yl]-7,8-dihydro-[1,4]dioxino[2,3-e]benzimidazol-2-yl]pyridine-4-carboxamide);2-methyl-N-[3-[(3R)-1-prop-2-enoylazepan-3-yl]-10,13,16-trioxa-3,5-diazatricyclo[7.7.0.02,6]hexadeca-1(9),2(6),4,7-tetraen-4-yl]pyridine-4-carboxamide;N-[1-[(3R)-1-[(E)-pent-2-enoyl]azepan-3-yl]-7,8-dihydro-[1,4]dioxino[2,3-e]benzimidazol-2-yl]-2-(trifluoromethyl)pyridine-4-carboxamide (CID 158152405) is N-[9-cyclopropyl-1-[(3R)-1-prop-2-enoylazepan-3-yl]-7,8-dihydroimidazo[4,5-f][1,4]benzoxazin-2-yl]-2-methylpyridine-4-carboxamide;N-[8,8-difluoro-1-[(3R)-1-prop-2-enoylazepan-3-yl]-7,9-dihydro-[1,4]dioxepino[2,3-e]benzimidazol-2-yl]-3-methylbenzamide;3-hydroxy-N-[1-[(3R)-1-prop-2-enoylazepan-3-yl]-7,8-dihydro-[1,4]dioxino[2,3-e]benzimidazol-2-yl]benzamide;methane;3-methoxy-N-[1-[(3R)-1-prop-2-enoylazepan-3-yl]-7,8-dihydro-[1,4]dioxino[2,3-e]benzimidazol-2-yl]benzamide;3-methyl-N-[1-[(3R)-1-prop-2-enoylazepan-3-yl]-8,9-dihydro-7H-[1,4]dioxepino[2,3-e]benzimidazol-2-yl]benzamide;3-methyl-N-[1-[(3R)-1-prop-2-enoylazepan-3-yl]-7,8-dihydro-[1,4]dioxino[2,3-e]benzimidazol-2-yl]benzamide;bis(2-methyl-N-[1-[(3R)-1-prop-2-enoylazepan-3-yl]-7,8-dihydro-[1,4]dioxino[2,3-e]benzimidazol-2-yl]pyridine-4-carboxamide);2-methyl-N-[3-[(3R)-1-prop-2-enoylazepan-3-yl]-10,13,16-trioxa-3,5-diazatricyclo[7.7.0.02,6]hexadeca-1(9),2(6),4,7-tetraen-4-yl]pyridine-4-carboxamide;N-[1-[(3R)-1-[(E)-pent-2-enoyl]azepan-3-yl]-7,8-dihydro-[1,4]dioxino[2,3-e]benzimidazol-2-yl]-2-(trifluoromethyl)pyridine-4-carboxamide.
What is the SMILES notation for N-[9-cyclopropyl-1-[(3R)-1-prop-2-enoylazepan-3-yl]-7,8-dihydroimidazo[4,5-f][1,4]benzoxazin-2-yl]-2-methylpyridine-4-carboxamide;N-[8,8-difluoro-1-[(3R)-1-prop-2-enoylazepan-3-yl]-7,9-dihydro-[1,4]dioxepino[2,3-e]benzimidazol-2-yl]-3-methylbenzamide;3-hydroxy-N-[1-[(3R)-1-prop-2-enoylazepan-3-yl]-7,8-dihydro-[1,4]dioxino[2,3-e]benzimidazol-2-yl]benzamide;methane;3-methoxy-N-[1-[(3R)-1-prop-2-enoylazepan-3-yl]-7,8-dihydro-[1,4]dioxino[2,3-e]benzimidazol-2-yl]benzamide;3-methyl-N-[1-[(3R)-1-prop-2-enoylazepan-3-yl]-8,9-dihydro-7H-[1,4]dioxepino[2,3-e]benzimidazol-2-yl]benzamide;3-methyl-N-[1-[(3R)-1-prop-2-enoylazepan-3-yl]-7,8-dihydro-[1,4]dioxino[2,3-e]benzimidazol-2-yl]benzamide;bis(2-methyl-N-[1-[(3R)-1-prop-2-enoylazepan-3-yl]-7,8-dihydro-[1,4]dioxino[2,3-e]benzimidazol-2-yl]pyridine-4-carboxamide);2-methyl-N-[3-[(3R)-1-prop-2-enoylazepan-3-yl]-10,13,16-trioxa-3,5-diazatricyclo[7.7.0.02,6]hexadeca-1(9),2(6),4,7-tetraen-4-yl]pyridine-4-carboxamide;N-[1-[(3R)-1-[(E)-pent-2-enoyl]azepan-3-yl]-7,8-dihydro-[1,4]dioxino[2,3-e]benzimidazol-2-yl]-2-(trifluoromethyl)pyridine-4-carboxamide?
The canonical SMILES for N-[9-cyclopropyl-1-[(3R)-1-prop-2-enoylazepan-3-yl]-7,8-dihydroimidazo[4,5-f][1,4]benzoxazin-2-yl]-2-methylpyridine-4-carboxamide;N-[8,8-difluoro-1-[(3R)-1-prop-2-enoylazepan-3-yl]-7,9-dihydro-[1,4]dioxepino[2,3-e]benzimidazol-2-yl]-3-methylbenzamide;3-hydroxy-N-[1-[(3R)-1-prop-2-enoylazepan-3-yl]-7,8-dihydro-[1,4]dioxino[2,3-e]benzimidazol-2-yl]benzamide;methane;3-methoxy-N-[1-[(3R)-1-prop-2-enoylazepan-3-yl]-7,8-dihydro-[1,4]dioxino[2,3-e]benzimidazol-2-yl]benzamide;3-methyl-N-[1-[(3R)-1-prop-2-enoylazepan-3-yl]-8,9-dihydro-7H-[1,4]dioxepino[2,3-e]benzimidazol-2-yl]benzamide;3-methyl-N-[1-[(3R)-1-prop-2-enoylazepan-3-yl]-7,8-dihydro-[1,4]dioxino[2,3-e]benzimidazol-2-yl]benzamide;bis(2-methyl-N-[1-[(3R)-1-prop-2-enoylazepan-3-yl]-7,8-dihydro-[1,4]dioxino[2,3-e]benzimidazol-2-yl]pyridine-4-carboxamide);2-methyl-N-[3-[(3R)-1-prop-2-enoylazepan-3-yl]-10,13,16-trioxa-3,5-diazatricyclo[7.7.0.02,6]hexadeca-1(9),2(6),4,7-tetraen-4-yl]pyridine-4-carboxamide;N-[1-[(3R)-1-[(E)-pent-2-enoyl]azepan-3-yl]-7,8-dihydro-[1,4]dioxino[2,3-e]benzimidazol-2-yl]-2-(trifluoromethyl)pyridine-4-carboxamide is C.C=CC(=O)N1CCCC[C@@H](n2c(NC(=O)c3cccc(C)c3)nc3ccc4c(c32)OCC(F)(F)CO4)C1.C=CC(=O)N1CCCC[C@@H](n2c(NC(=O)c3cccc(C)c3)nc3ccc4c(c32)OCCCO4)C1.C=CC(=O)N1CCCC[C@@H](n2c(NC(=O)c3cccc(C)c3)nc3ccc4c(c32)OCCO4)C1.C=CC(=O)N1CCCC[C@@H](n2c(NC(=O)c3cccc(O)c3)nc3ccc4c(c32)OCCO4)C1.C=CC(=O)N1CCCC[C@@H](n2c(NC(=O)c3cccc(OC)c3)nc3ccc4c(c32)OCCO4)C1.C=CC(=O)N1CCCC[C@@H](n2c(NC(=O)c3ccnc(C)c3)nc3ccc4c(c32)N(C2CC2)CCO4)C1.C=CC(=O)N1CCCC[C@@H](n2c(NC(=O)c3ccnc(C)c3)nc3ccc4c(c32)OCCO4)C1.C=CC(=O)N1CCCC[C@@H](n2c(NC(=O)c3ccnc(C)c3)nc3ccc4c(c32)OCCO4)C1.C=CC(=O)N1CCCC[C@@H](n2c(NC(=O)c3ccnc(C)c3)nc3ccc4c(c32)OCCOCCO4)C1.CC/C=C/C(=O)N1CCCC[C@@H](n2c(NC(=O)c3ccnc(C(F)(F)F)c3)nc3ccc4c(c32)OCCO4)C1.
What is the InChIKey of N-[9-cyclopropyl-1-[(3R)-1-prop-2-enoylazepan-3-yl]-7,8-dihydroimidazo[4,5-f][1,4]benzoxazin-2-yl]-2-methylpyridine-4-carboxamide;N-[8,8-difluoro-1-[(3R)-1-prop-2-enoylazepan-3-yl]-7,9-dihydro-[1,4]dioxepino[2,3-e]benzimidazol-2-yl]-3-methylbenzamide;3-hydroxy-N-[1-[(3R)-1-prop-2-enoylazepan-3-yl]-7,8-dihydro-[1,4]dioxino[2,3-e]benzimidazol-2-yl]benzamide;methane;3-methoxy-N-[1-[(3R)-1-prop-2-enoylazepan-3-yl]-7,8-dihydro-[1,4]dioxino[2,3-e]benzimidazol-2-yl]benzamide;3-methyl-N-[1-[(3R)-1-prop-2-enoylazepan-3-yl]-8,9-dihydro-7H-[1,4]dioxepino[2,3-e]benzimidazol-2-yl]benzamide;3-methyl-N-[1-[(3R)-1-prop-2-enoylazepan-3-yl]-7,8-dihydro-[1,4]dioxino[2,3-e]benzimidazol-2-yl]benzamide;bis(2-methyl-N-[1-[(3R)-1-prop-2-enoylazepan-3-yl]-7,8-dihydro-[1,4]dioxino[2,3-e]benzimidazol-2-yl]pyridine-4-carboxamide);2-methyl-N-[3-[(3R)-1-prop-2-enoylazepan-3-yl]-10,13,16-trioxa-3,5-diazatricyclo[7.7.0.02,6]hexadeca-1(9),2(6),4,7-tetraen-4-yl]pyridine-4-carboxamide;N-[1-[(3R)-1-[(E)-pent-2-enoyl]azepan-3-yl]-7,8-dihydro-[1,4]dioxino[2,3-e]benzimidazol-2-yl]-2-(trifluoromethyl)pyridine-4-carboxamide?
The InChIKey is FVGSLJWQQSHTHD-ZRVOIDLQSA-N. The full InChI is InChI=1S/C28H32N6O3.C27H28F3N5O4.C27H28F2N4O4.C27H31N5O5.C27H30N4O4.C26H28N4O5.C26H28N4O4.2C25H27N5O4.C25H26N4O5.CH4/c1-3-24(35)32-13-5-4-6-21(17-32)34-25-22(9-10-23-26(25)33(14-15-37-23)20-7-8-20)30-28(34)31-27(36)19-11-12-29-18(2)16-19;1-2-3-7-22(36)34-12-5-4-6-18(16-34)35-23-19(8-9-20-24(23)39-14-13-38-20)32-26(35)33-25(37)17-10-11-31-21(15-17)27(28,29)30;1-3-22(34)32-12-5-4-9-19(14-32)33-23-20(10-11-21-24(23)37-16-27(28,29)15-36-21)30-26(33)31-25(35)18-8-6-7-17(2)13-18;1-3-23(33)31-11-5-4-6-20(17-31)32-24-21(7-8-22-25(24)37-15-13-35-12-14-36-22)29-27(32)30-26(34)19-9-10-28-18(2)16-19;1-3-23(32)30-13-5-4-10-20(17-30)31-24-21(11-12-22-25(24)35-15-7-14-34-22)28-27(31)29-26(33)19-9-6-8-18(2)16-19;1-3-22(31)29-12-5-4-8-18(16-29)30-23-20(10-11-21-24(23)35-14-13-34-21)27-26(30)28-25(32)17-7-6-9-19(15-17)33-2;1-3-22(31)29-12-5-4-9-19(16-29)30-23-20(10-11-21-24(23)34-14-13-33-21)27-26(30)28-25(32)18-8-6-7-17(2)15-18;2*1-3-21(31)29-11-5-4-6-18(15-29)30-22-19(7-8-20-23(22)34-13-12-33-20)27-25(30)28-24(32)17-9-10-26-16(2)14-17;1-2-21(31)28-11-4-3-7-17(15-28)29-22-19(9-10-20-23(22)34-13-12-33-20)26-25(29)27-24(32)16-6-5-8-18(30)14-16;/h3,9-12,16,20-21H,1,4-8,13-15,17H2,2H3,(H,30,31,36);3,7-11,15,18H,2,4-6,12-14,16H2,1H3,(H,32,33,37);3,6-8,10-11,13,19H,1,4-5,9,12,14-16H2,2H3,(H,30,31,35);3,7-10,16,20H,1,4-6,11-15,17H2,2H3,(H,29,30,34);3,6,8-9,11-12,16,20H,1,4-5,7,10,13-15,17H2,2H3,(H,28,29,33);3,6-7,9-11,15,18H,1,4-5,8,12-14,16H2,2H3,(H,27,28,32);3,6-8,10-11,15,19H,1,4-5,9,12-14,16H2,2H3,(H,27,28,32);2*3,7-10,14,18H,1,4-6,11-13,15H2,2H3,(H,27,28,32);2,5-6,8-10,14,17,30H,1,3-4,7,11-13,15H2,(H,26,27,32);1H4/b;7-3+;;;;;;;;;/t21-;18-;19-;2*20-;18-;19-;2*18-;17-;/m1111111111./s1.
What are the key properties of N-[9-cyclopropyl-1-[(3R)-1-prop-2-enoylazepan-3-yl]-7,8-dihydroimidazo[4,5-f][1,4]benzoxazin-2-yl]-2-methylpyridine-4-carboxamide;N-[8,8-difluoro-1-[(3R)-1-prop-2-enoylazepan-3-yl]-7,9-dihydro-[1,4]dioxepino[2,3-e]benzimidazol-2-yl]-3-methylbenzamide;3-hydroxy-N-[1-[(3R)-1-prop-2-enoylazepan-3-yl]-7,8-dihydro-[1,4]dioxino[2,3-e]benzimidazol-2-yl]benzamide;methane;3-methoxy-N-[1-[(3R)-1-prop-2-enoylazepan-3-yl]-7,8-dihydro-[1,4]dioxino[2,3-e]benzimidazol-2-yl]benzamide;3-methyl-N-[1-[(3R)-1-prop-2-enoylazepan-3-yl]-8,9-dihydro-7H-[1,4]dioxepino[2,3-e]benzimidazol-2-yl]benzamide;3-methyl-N-[1-[(3R)-1-prop-2-enoylazepan-3-yl]-7,8-dihydro-[1,4]dioxino[2,3-e]benzimidazol-2-yl]benzamide;bis(2-methyl-N-[1-[(3R)-1-prop-2-enoylazepan-3-yl]-7,8-dihydro-[1,4]dioxino[2,3-e]benzimidazol-2-yl]pyridine-4-carboxamide);2-methyl-N-[3-[(3R)-1-prop-2-enoylazepan-3-yl]-10,13,16-trioxa-3,5-diazatricyclo[7.7.0.02,6]hexadeca-1(9),2(6),4,7-tetraen-4-yl]pyridine-4-carboxamide;N-[1-[(3R)-1-[(E)-pent-2-enoyl]azepan-3-yl]-7,8-dihydro-[1,4]dioxino[2,3-e]benzimidazol-2-yl]-2-(trifluoromethyl)pyridine-4-carboxamide?
N-[9-cyclopropyl-1-[(3R)-1-prop-2-enoylazepan-3-yl]-7,8-dihydroimidazo[4,5-f][1,4]benzoxazin-2-yl]-2-methylpyridine-4-carboxamide;N-[8,8-difluoro-1-[(3R)-1-prop-2-enoylazepan-3-yl]-7,9-dihydro-[1,4]dioxepino[2,3-e]benzimidazol-2-yl]-3-methylbenzamide;3-hydroxy-N-[1-[(3R)-1-prop-2-enoylazepan-3-yl]-7,8-dihydro-[1,4]dioxino[2,3-e]benzimidazol-2-yl]benzamide;methane;3-methoxy-N-[1-[(3R)-1-prop-2-enoylazepan-3-yl]-7,8-dihydro-[1,4]dioxino[2,3-e]benzimidazol-2-yl]benzamide;3-methyl-N-[1-[(3R)-1-prop-2-enoylazepan-3-yl]-8,9-dihydro-7H-[1,4]dioxepino[2,3-e]benzimidazol-2-yl]benzamide;3-methyl-N-[1-[(3R)-1-prop-2-enoylazepan-3-yl]-7,8-dihydro-[1,4]dioxino[2,3-e]benzimidazol-2-yl]benzamide;bis(2-methyl-N-[1-[(3R)-1-prop-2-enoylazepan-3-yl]-7,8-dihydro-[1,4]dioxino[2,3-e]benzimidazol-2-yl]pyridine-4-carboxamide);2-methyl-N-[3-[(3R)-1-prop-2-enoylazepan-3-yl]-10,13,16-trioxa-3,5-diazatricyclo[7.7.0.02,6]hexadeca-1(9),2(6),4,7-tetraen-4-yl]pyridine-4-carboxamide;N-[1-[(3R)-1-[(E)-pent-2-enoyl]azepan-3-yl]-7,8-dihydro-[1,4]dioxino[2,3-e]benzimidazol-2-yl]-2-(trifluoromethyl)pyridine-4-carboxamide has a molecular weight of 4873.49 g/mol, XLogP of 40.91, 43 rotatable bonds, 11 hydrogen bond donors, and 68 hydrogen bond acceptors.
Where does this data come from?
All data for N-[9-cyclopropyl-1-[(3R)-1-prop-2-enoylazepan-3-yl]-7,8-dihydroimidazo[4,5-f][1,4]benzoxazin-2-yl]-2-methylpyridine-4-carboxamide;N-[8,8-difluoro-1-[(3R)-1-prop-2-enoylazepan-3-yl]-7,9-dihydro-[1,4]dioxepino[2,3-e]benzimidazol-2-yl]-3-methylbenzamide;3-hydroxy-N-[1-[(3R)-1-prop-2-enoylazepan-3-yl]-7,8-dihydro-[1,4]dioxino[2,3-e]benzimidazol-2-yl]benzamide;methane;3-methoxy-N-[1-[(3R)-1-prop-2-enoylazepan-3-yl]-7,8-dihydro-[1,4]dioxino[2,3-e]benzimidazol-2-yl]benzamide;3-methyl-N-[1-[(3R)-1-prop-2-enoylazepan-3-yl]-8,9-dihydro-7H-[1,4]dioxepino[2,3-e]benzimidazol-2-yl]benzamide;3-methyl-N-[1-[(3R)-1-prop-2-enoylazepan-3-yl]-7,8-dihydro-[1,4]dioxino[2,3-e]benzimidazol-2-yl]benzamide;bis(2-methyl-N-[1-[(3R)-1-prop-2-enoylazepan-3-yl]-7,8-dihydro-[1,4]dioxino[2,3-e]benzimidazol-2-yl]pyridine-4-carboxamide);2-methyl-N-[3-[(3R)-1-prop-2-enoylazepan-3-yl]-10,13,16-trioxa-3,5-diazatricyclo[7.7.0.02,6]hexadeca-1(9),2(6),4,7-tetraen-4-yl]pyridine-4-carboxamide;N-[1-[(3R)-1-[(E)-pent-2-enoyl]azepan-3-yl]-7,8-dihydro-[1,4]dioxino[2,3-e]benzimidazol-2-yl]-2-(trifluoromethyl)pyridine-4-carboxamide is sourced from PubChem (CID 158152405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).