3-bromo-2-ethenylpyridine;3-bromofuran-2-carbaldehyde;2,3-dibromopyridine;methane;methyl 1-(2-amino-2-oxoethyl)-2-(3-bromo-2-pyridinyl)-3-cyclohexylindole-6-carboxylate;methyl 2-(3-bromo-2-pyridinyl)-3-cyclohexyl-1H-indole-6-carboxylate;methyl 18-cyclohexyl-6,11-diazatetracyclo[9.7.0.02,7.012,17]octadeca-1(18),2(7),3,5,8,12(17),13,15-octaene-14-carboxylate;methyl 3-cyclohexyl-2-(2-ethenylfuran-3-yl)-1-prop-2-enylindole-6-carboxylate;methyl 3-cyclohexyl-2-(2-ethenyl-3-pyridinyl)-1H-indole-6-carboxylate;methyl 3-cyclohexyl-2-(2-ethenyl-3-pyridinyl)-1-prop-2-enylindole-6-carboxylate;methyl 3-cyclohexyl-2-(2-formylfuran-3-yl)-1H-indole-6-carboxylate;methyl 17-cyclohexyl-5-oxa-10-azatetracyclo[8.7.0.02,6.011,16]heptadeca-1(17),2(6),3,7,11(16),12,14-heptaene-13-carboxylate;methyl 18-cyclohexyl-9-oxo-3,8,11-triazatetracyclo[9.7.0.02,7.012,17]octadeca-1(18),2(7),3,5,12(17),13,15-heptaene-14-carboxylate;methyl 3-cyclohexyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole-6-carboxylate;methylidene(triphenyl)-λ5-phosphane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane

C280H302B3Br6N20O34P — CID 158035760

IUPAC3-bromo-2-ethenylpyridine;3-bromofuran-2-carbaldehyde;2,3-dibromopyridine;methane;methyl 1-(2-amino-2-oxoethyl)-2-(3-bromo-2-pyridinyl)-3-cyclohexylindole-6-carboxylate;methyl 2-(3-bromo-2-pyridinyl)-3-cyclohexyl-1H-indole-6-carboxylate;methyl 18-cyclohexyl-6,11-diazatetracyclo[9.7.0.02,7.012,17]octadeca-1(18),2(7),3,5,8,12(17),13,15-octaene-14-carboxylate;methyl 3-cyclohexyl-2-(2-ethenylfuran-3-yl)-1-prop-2-enylindole-6-carboxylate;methyl 3-cyclohexyl-2-(2-ethenyl-3-pyridinyl)-1H-indole-6-carboxylate;methyl 3-cyclohexyl-2-(2-ethenyl-3-pyridinyl)-1-prop-2-enylindole-6-carboxylate;methyl 3-cyclohexyl-2-(2-formylfuran-3-yl)-1H-indole-6-carboxylate;methyl 17-cyclohexyl-5-oxa-10-azatetracyclo[8.7.0.02,6.011,16]heptadeca-1(17),2(6),3,7,11(16),12,14-heptaene-13-carboxylate;methyl 18-cyclohexyl-9-oxo-3,8,11-triazatetracyclo[9.7.0.02,7.012,17]octadeca-1(18),2(7),3,5,12(17),13,15-heptaene-14-carboxylate;methyl 3-cyclohexyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole-6-carboxylate;methylidene(triphenyl)-λ5-phosphane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
SMILESBrc1cccnc1Br.C.C=CCn1c(-c2cccnc2C=C)c(C2CCCCC2)c2ccc(C(=O)OC)cc21.C=CCn1c(-c2ccoc2C=C)c(C2CCCCC2)c2ccc(C(=O)OC)cc21.C=Cc1ncccc1-c1[nH]c2cc(C(=O)OC)ccc2c1C1CCCCC1.C=Cc1ncccc1Br.C=P(c1ccccc1)(c1ccccc1)c1ccccc1.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.COC(=O)c1ccc2c(C3CCCCC3)c(-c3ccoc3C=O)[nH]c2c1.COC(=O)c1ccc2c(C3CCCCC3)c(-c3ncccc3Br)[nH]c2c1.COC(=O)c1ccc2c(C3CCCCC3)c(-c3ncccc3Br)n(CC(N)=O)c2c1.COC(=O)c1ccc2c(C3CCCCC3)c(B3OC(C)(C)C(C)(C)O3)[nH]c2c1.COC(=O)c1ccc2c(C3CCCCC3)c3n(c2c1)CC(=O)Nc1cccnc1-3.COC(=O)c1ccc2c(C3CCCCC3)c3n(c2c1)CC=Cc1ncccc1-3.COC(=O)c1ccc2c(C3CCCCC3)c3n(c2c1)CC=Cc1occc1-3.O=Cc1occc1Br
InChIInChI=1S/C26H28N2O2.C25H27NO3.C24H24N2O2.C23H24BrN3O3.C23H23N3O3.C23H24N2O2.C23H23NO3.C22H30BNO4.C21H21BrN2O2.C21H21NO4.C19H17P.C12H24B2O4.C7H6BrN.C5H3Br2N.C5H3BrO2.CH4/c1-4-16-28-23-17-19(26(29)30-3)13-14-21(23)24(18-10-7-6-8-11-18)25(28)20-12-9-15-27-22(20)5-2;1-4-14-26-21-16-18(25(27)28-3)11-12-19(21)23(17-9-7-6-8-10-17)24(26)20-13-15-29-22(20)5-2;1-28-24(27)17-11-12-19-21(15-17)26-14-6-10-20-18(9-5-13-25-20)23(26)22(19)16-7-3-2-4-8-16;1-30-23(29)15-9-10-16-18(12-15)27(13-19(25)28)22(21-17(24)8-5-11-26-21)20(16)14-6-3-2-4-7-14;1-29-23(28)15-9-10-16-18(12-15)26-13-19(27)25-17-8-5-11-24-21(17)22(26)20(16)14-6-3-2-4-7-14;1-3-19-18(10-7-13-24-19)22-21(15-8-5-4-6-9-15)17-12-11-16(23(26)27-2)14-20(17)25-22;1-26-23(25)16-9-10-17-19(14-16)24-12-5-8-20-18(11-13-27-20)22(24)21(17)15-6-3-2-4-7-15;1-21(2)22(3,4)28-23(27-21)19-18(14-9-7-6-8-10-14)16-12-11-15(20(25)26-5)13-17(16)24-19;1-26-21(25)14-9-10-15-17(12-14)24-20(19-16(22)8-5-11-23-19)18(15)13-6-3-2-4-7-13;1-25-21(24)14-7-8-15-17(11-14)22-20(16-9-10-26-18(16)12-23)19(15)13-5-3-2-4-6-13;1-20(17-11-5-2-6-12-17,18-13-7-3-8-14-18)19-15-9-4-10-16-19;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;1-2-7-6(8)4-3-5-9-7;6-4-2-1-3-8-5(4)7;6-4-1-2-8-5(4)3-7;/h4-5,9,12-15,17-18H,1-2,6-8,10-11,16H2,3H3;4-5,11-13,15-17H,1-2,6-10,14H2,3H3;5-6,9-13,15-16H,2-4,7-8,14H2,1H3;5,8-12,14H,2-4,6-7,13H2,1H3,(H2,25,28);5,8-12,14H,2-4,6-7,13H2,1H3,(H,25,27);3,7,10-15,25H,1,4-6,8-9H2,2H3;5,8-11,13-15H,2-4,6-7,12H2,1H3;11-14,24H,6-10H2,1-5H3;5,8-13,24H,2-4,6-7H2,1H3;7-13,22H,2-6H2,1H3;2-16H,1H2;1-8H3;2-5H,1H2;2*1-3H;1H4
InChIKeyFHSMSRIYWKELDO-UHFFFAOYSA-N
MW5034.44 g/mol
LogP67.69
Rot. Bonds43

About 3-bromo-2-ethenylpyridine;3-bromofuran-2-carbaldehyde;2,3-dibromopyridine;methane;methyl 1-(2-amino-2-oxoethyl)-2-(3-bromo-2-pyridinyl)-3-cyclohexylindole-6-carboxylate;methyl 2-(3-bromo-2-pyridinyl)-3-cyclohexyl-1H-indole-6-carboxylate;methyl 18-cyclohexyl-6,11-diazatetracyclo[9.7.0.02,7.012,17]octadeca-1(18),2(7),3,5,8,12(17),13,15-octaene-14-carboxylate;methyl 3-cyclohexyl-2-(2-ethenylfuran-3-yl)-1-prop-2-enylindole-6-carboxylate;methyl 3-cyclohexyl-2-(2-ethenyl-3-pyridinyl)-1H-indole-6-carboxylate;methyl 3-cyclohexyl-2-(2-ethenyl-3-pyridinyl)-1-prop-2-enylindole-6-carboxylate;methyl 3-cyclohexyl-2-(2-formylfuran-3-yl)-1H-indole-6-carboxylate;methyl 17-cyclohexyl-5-oxa-10-azatetracyclo[8.7.0.02,6.011,16]heptadeca-1(17),2(6),3,7,11(16),12,14-heptaene-13-carboxylate;methyl 18-cyclohexyl-9-oxo-3,8,11-triazatetracyclo[9.7.0.02,7.012,17]octadeca-1(18),2(7),3,5,12(17),13,15-heptaene-14-carboxylate;methyl 3-cyclohexyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole-6-carboxylate;methylidene(triphenyl)-λ5-phosphane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane

3-bromo-2-ethenylpyridine;3-bromofuran-2-carbaldehyde;2,3-dibromopyridine;methane;methyl 1-(2-amino-2-oxoethyl)-2-(3-bromo-2-pyridinyl)-3-cyclohexylindole-6-carboxylate;methyl 2-(3-bromo-2-pyridinyl)-3-cyclohexyl-1H-indole-6-carboxylate;methyl 18-cyclohexyl-6,11-diazatetracyclo[9.7.0.02,7.012,17]octadeca-1(18),2(7),3,5,8,12(17),13,15-octaene-14-carboxylate;methyl 3-cyclohexyl-2-(2-ethenylfuran-3-yl)-1-prop-2-enylindole-6-carboxylate;methyl 3-cyclohexyl-2-(2-ethenyl-3-pyridinyl)-1H-indole-6-carboxylate;methyl 3-cyclohexyl-2-(2-ethenyl-3-pyridinyl)-1-prop-2-enylindole-6-carboxylate;methyl 3-cyclohexyl-2-(2-formylfuran-3-yl)-1H-indole-6-carboxylate;methyl 17-cyclohexyl-5-oxa-10-azatetracyclo[8.7.0.02,6.011,16]heptadeca-1(17),2(6),3,7,11(16),12,14-heptaene-13-carboxylate;methyl 18-cyclohexyl-9-oxo-3,8,11-triazatetracyclo[9.7.0.02,7.012,17]octadeca-1(18),2(7),3,5,12(17),13,15-heptaene-14-carboxylate;methyl 3-cyclohexyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole-6-carboxylate;methylidene(triphenyl)-λ5-phosphane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane (PubChem CID 158035760) has the molecular formula C280H302B3Br6N20O34P and a molecular weight of 5034.44 g/mol. Its IUPAC name is 3-bromo-2-ethenylpyridine;3-bromofuran-2-carbaldehyde;2,3-dibromopyridine;methane;methyl 1-(2-amino-2-oxoethyl)-2-(3-bromo-2-pyridinyl)-3-cyclohexylindole-6-carboxylate;methyl 2-(3-bromo-2-pyridinyl)-3-cyclohexyl-1H-indole-6-carboxylate;methyl 18-cyclohexyl-6,11-diazatetracyclo[9.7.0.02,7.012,17]octadeca-1(18),2(7),3,5,8,12(17),13,15-octaene-14-carboxylate;methyl 3-cyclohexyl-2-(2-ethenylfuran-3-yl)-1-prop-2-enylindole-6-carboxylate;methyl 3-cyclohexyl-2-(2-ethenyl-3-pyridinyl)-1H-indole-6-carboxylate;methyl 3-cyclohexyl-2-(2-ethenyl-3-pyridinyl)-1-prop-2-enylindole-6-carboxylate;methyl 3-cyclohexyl-2-(2-formylfuran-3-yl)-1H-indole-6-carboxylate;methyl 17-cyclohexyl-5-oxa-10-azatetracyclo[8.7.0.02,6.011,16]heptadeca-1(17),2(6),3,7,11(16),12,14-heptaene-13-carboxylate;methyl 18-cyclohexyl-9-oxo-3,8,11-triazatetracyclo[9.7.0.02,7.012,17]octadeca-1(18),2(7),3,5,12(17),13,15-heptaene-14-carboxylate;methyl 3-cyclohexyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole-6-carboxylate;methylidene(triphenyl)-λ5-phosphane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane.

Molecular Properties

Compound Name3-bromo-2-ethenylpyridine;3-bromofuran-2-carbaldehyde;2,3-dibromopyridine;methane;methyl 1-(2-amino-2-oxoethyl)-2-(3-bromo-2-pyridinyl)-3-cyclohexylindole-6-carboxylate;methyl 2-(3-bromo-2-pyridinyl)-3-cyclohexyl-1H-indole-6-carboxylate;methyl 18-cyclohexyl-6,11-diazatetracyclo[9.7.0.02,7.012,17]octadeca-1(18),2(7),3,5,8,12(17),13,15-octaene-14-carboxylate;methyl 3-cyclohexyl-2-(2-ethenylfuran-3-yl)-1-prop-2-enylindole-6-carboxylate;methyl 3-cyclohexyl-2-(2-ethenyl-3-pyridinyl)-1H-indole-6-carboxylate;methyl 3-cyclohexyl-2-(2-ethenyl-3-pyridinyl)-1-prop-2-enylindole-6-carboxylate;methyl 3-cyclohexyl-2-(2-formylfuran-3-yl)-1H-indole-6-carboxylate;methyl 17-cyclohexyl-5-oxa-10-azatetracyclo[8.7.0.02,6.011,16]heptadeca-1(17),2(6),3,7,11(16),12,14-heptaene-13-carboxylate;methyl 18-cyclohexyl-9-oxo-3,8,11-triazatetracyclo[9.7.0.02,7.012,17]octadeca-1(18),2(7),3,5,12(17),13,15-heptaene-14-carboxylate;methyl 3-cyclohexyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole-6-carboxylate;methylidene(triphenyl)-λ5-phosphane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
PubChem CID158035760
Molecular FormulaC280H302B3Br6N20O34P
Molecular Weight5034.44 g/mol
Exact Mass5025.76
IUPAC Name3-bromo-2-ethenylpyridine;3-bromofuran-2-carbaldehyde;2,3-dibromopyridine;methane;methyl 1-(2-amino-2-oxoethyl)-2-(3-bromo-2-pyridinyl)-3-cyclohexylindole-6-carboxylate;methyl 2-(3-bromo-2-pyridinyl)-3-cyclohexyl-1H-indole-6-carboxylate;methyl 18-cyclohexyl-6,11-diazatetracyclo[9.7.0.02,7.012,17]octadeca-1(18),2(7),3,5,8,12(17),13,15-octaene-14-carboxylate;methyl 3-cyclohexyl-2-(2-ethenylfuran-3-yl)-1-prop-2-enylindole-6-carboxylate;methyl 3-cyclohexyl-2-(2-ethenyl-3-pyridinyl)-1H-indole-6-carboxylate;methyl 3-cyclohexyl-2-(2-ethenyl-3-pyridinyl)-1-prop-2-enylindole-6-carboxylate;methyl 3-cyclohexyl-2-(2-formylfuran-3-yl)-1H-indole-6-carboxylate;methyl 17-cyclohexyl-5-oxa-10-azatetracyclo[8.7.0.02,6.011,16]heptadeca-1(17),2(6),3,7,11(16),12,14-heptaene-13-carboxylate;methyl 18-cyclohexyl-9-oxo-3,8,11-triazatetracyclo[9.7.0.02,7.012,17]octadeca-1(18),2(7),3,5,12(17),13,15-heptaene-14-carboxylate;methyl 3-cyclohexyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole-6-carboxylate;methylidene(triphenyl)-λ5-phosphane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
SMILESBrc1cccnc1Br.C.C=CCn1c(-c2cccnc2C=C)c(C2CCCCC2)c2ccc(C(=O)OC)cc21.C=CCn1c(-c2ccoc2C=C)c(C2CCCCC2)c2ccc(C(=O)OC)cc21.C=Cc1ncccc1-c1[nH]c2cc(C(=O)OC)ccc2c1C1CCCCC1.C=Cc1ncccc1Br.C=P(c1ccccc1)(c1ccccc1)c1ccccc1.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.COC(=O)c1ccc2c(C3CCCCC3)c(-c3ccoc3C=O)[nH]c2c1.COC(=O)c1ccc2c(C3CCCCC3)c(-c3ncccc3Br)[nH]c2c1.COC(=O)c1ccc2c(C3CCCCC3)c(-c3ncccc3Br)n(CC(N)=O)c2c1.COC(=O)c1ccc2c(C3CCCCC3)c(B3OC(C)(C)C(C)(C)O3)[nH]c2c1.COC(=O)c1ccc2c(C3CCCCC3)c3n(c2c1)CC(=O)Nc1cccnc1-3.COC(=O)c1ccc2c(C3CCCCC3)c3n(c2c1)CC=Cc1ncccc1-3.COC(=O)c1ccc2c(C3CCCCC3)c3n(c2c1)CC=Cc1occc1-3.O=Cc1occc1Br
InChIInChI=1S/C26H28N2O2.C25H27NO3.C24H24N2O2.C23H24BrN3O3.C23H23N3O3.C23H24N2O2.C23H23NO3.C22H30BNO4.C21H21BrN2O2.C21H21NO4.C19H17P.C12H24B2O4.C7H6BrN.C5H3Br2N.C5H3BrO2.CH4/c1-4-16-28-23-17-19(26(29)30-3)13-14-21(23)24(18-10-7-6-8-11-18)25(28)20-12-9-15-27-22(20)5-2;1-4-14-26-21-16-18(25(27)28-3)11-12-19(21)23(17-9-7-6-8-10-17)24(26)20-13-15-29-22(20)5-2;1-28-24(27)17-11-12-19-21(15-17)26-14-6-10-20-18(9-5-13-25-20)23(26)22(19)16-7-3-2-4-8-16;1-30-23(29)15-9-10-16-18(12-15)27(13-19(25)28)22(21-17(24)8-5-11-26-21)20(16)14-6-3-2-4-7-14;1-29-23(28)15-9-10-16-18(12-15)26-13-19(27)25-17-8-5-11-24-21(17)22(26)20(16)14-6-3-2-4-7-14;1-3-19-18(10-7-13-24-19)22-21(15-8-5-4-6-9-15)17-12-11-16(23(26)27-2)14-20(17)25-22;1-26-23(25)16-9-10-17-19(14-16)24-12-5-8-20-18(11-13-27-20)22(24)21(17)15-6-3-2-4-7-15;1-21(2)22(3,4)28-23(27-21)19-18(14-9-7-6-8-10-14)16-12-11-15(20(25)26-5)13-17(16)24-19;1-26-21(25)14-9-10-15-17(12-14)24-20(19-16(22)8-5-11-23-19)18(15)13-6-3-2-4-7-13;1-25-21(24)14-7-8-15-17(11-14)22-20(16-9-10-26-18(16)12-23)19(15)13-5-3-2-4-6-13;1-20(17-11-5-2-6-12-17,18-13-7-3-8-14-18)19-15-9-4-10-16-19;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;1-2-7-6(8)4-3-5-9-7;6-4-2-1-3-8-5(4)7;6-4-1-2-8-5(4)3-7;/h4-5,9,12-15,17-18H,1-2,6-8,10-11,16H2,3H3;4-5,11-13,15-17H,1-2,6-10,14H2,3H3;5-6,9-13,15-16H,2-4,7-8,14H2,1H3;5,8-12,14H,2-4,6-7,13H2,1H3,(H2,25,28);5,8-12,14H,2-4,6-7,13H2,1H3,(H,25,27);3,7,10-15,25H,1,4-6,8-9H2,2H3;5,8-11,13-15H,2-4,6-7,12H2,1H3;11-14,24H,6-10H2,1-5H3;5,8-13,24H,2-4,6-7H2,1H3;7-13,22H,2-6H2,1H3;2-16H,1H2;1-8H3;2-5H,1H2;2*1-3H;1H4
InChIKeyFHSMSRIYWKELDO-UHFFFAOYSA-N
XLogP67.69
TPSA673.13 Ų
H-Bond Donors6
H-Bond Acceptors48
Rotatable Bonds43
Heavy Atoms344
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5005034.44
LogP ≤ 567.69
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1048

Analyze 3-bromo-2-ethenylpyridine;3-bromofuran-2-carbaldehyde;2,3-dibromopyridine;methane;methyl 1-(2-amino-2-oxoethyl)-2-(3-bromo-2-pyridinyl)-3-cyclohexylindole-6-carboxylate;methyl 2-(3-bromo-2-pyridinyl)-3-cyclohexyl-1H-indole-6-carboxylate;methyl 18-cyclohexyl-6,11-diazatetracyclo[9.7.0.02,7.012,17]octadeca-1(18),2(7),3,5,8,12(17),13,15-octaene-14-carboxylate;methyl 3-cyclohexyl-2-(2-ethenylfuran-3-yl)-1-prop-2-enylindole-6-carboxylate;methyl 3-cyclohexyl-2-(2-ethenyl-3-pyridinyl)-1H-indole-6-carboxylate;methyl 3-cyclohexyl-2-(2-ethenyl-3-pyridinyl)-1-prop-2-enylindole-6-carboxylate;methyl 3-cyclohexyl-2-(2-formylfuran-3-yl)-1H-indole-6-carboxylate;methyl 17-cyclohexyl-5-oxa-10-azatetracyclo[8.7.0.02,6.011,16]heptadeca-1(17),2(6),3,7,11(16),12,14-heptaene-13-carboxylate;methyl 18-cyclohexyl-9-oxo-3,8,11-triazatetracyclo[9.7.0.02,7.012,17]octadeca-1(18),2(7),3,5,12(17),13,15-heptaene-14-carboxylate;methyl 3-cyclohexyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole-6-carboxylate;methylidene(triphenyl)-λ5-phosphane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-ethenylpyridine;3-bromofuran-2-carbaldehyde;2,3-dibromopyridine;methane;methyl 1-(2-amino-2-oxoethyl)-2-(3-bromo-2-pyridinyl)-3-cyclohexylindole-6-carboxylate;methyl 2-(3-bromo-2-pyridinyl)-3-cyclohexyl-1H-indole-6-carboxylate;methyl 18-cyclohexyl-6,11-diazatetracyclo[9.7.0.02,7.012,17]octadeca-1(18),2(7),3,5,8,12(17),13,15-octaene-14-carboxylate;methyl 3-cyclohexyl-2-(2-ethenylfuran-3-yl)-1-prop-2-enylindole-6-carboxylate;methyl 3-cyclohexyl-2-(2-ethenyl-3-pyridinyl)-1H-indole-6-carboxylate;methyl 3-cyclohexyl-2-(2-ethenyl-3-pyridinyl)-1-prop-2-enylindole-6-carboxylate;methyl 3-cyclohexyl-2-(2-formylfuran-3-yl)-1H-indole-6-carboxylate;methyl 17-cyclohexyl-5-oxa-10-azatetracyclo[8.7.0.02,6.011,16]heptadeca-1(17),2(6),3,7,11(16),12,14-heptaene-13-carboxylate;methyl 18-cyclohexyl-9-oxo-3,8,11-triazatetracyclo[9.7.0.02,7.012,17]octadeca-1(18),2(7),3,5,12(17),13,15-heptaene-14-carboxylate;methyl 3-cyclohexyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole-6-carboxylate;methylidene(triphenyl)-λ5-phosphane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?
The IUPAC name of 3-bromo-2-ethenylpyridine;3-bromofuran-2-carbaldehyde;2,3-dibromopyridine;methane;methyl 1-(2-amino-2-oxoethyl)-2-(3-bromo-2-pyridinyl)-3-cyclohexylindole-6-carboxylate;methyl 2-(3-bromo-2-pyridinyl)-3-cyclohexyl-1H-indole-6-carboxylate;methyl 18-cyclohexyl-6,11-diazatetracyclo[9.7.0.02,7.012,17]octadeca-1(18),2(7),3,5,8,12(17),13,15-octaene-14-carboxylate;methyl 3-cyclohexyl-2-(2-ethenylfuran-3-yl)-1-prop-2-enylindole-6-carboxylate;methyl 3-cyclohexyl-2-(2-ethenyl-3-pyridinyl)-1H-indole-6-carboxylate;methyl 3-cyclohexyl-2-(2-ethenyl-3-pyridinyl)-1-prop-2-enylindole-6-carboxylate;methyl 3-cyclohexyl-2-(2-formylfuran-3-yl)-1H-indole-6-carboxylate;methyl 17-cyclohexyl-5-oxa-10-azatetracyclo[8.7.0.02,6.011,16]heptadeca-1(17),2(6),3,7,11(16),12,14-heptaene-13-carboxylate;methyl 18-cyclohexyl-9-oxo-3,8,11-triazatetracyclo[9.7.0.02,7.012,17]octadeca-1(18),2(7),3,5,12(17),13,15-heptaene-14-carboxylate;methyl 3-cyclohexyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole-6-carboxylate;methylidene(triphenyl)-λ5-phosphane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane (CID 158035760) is 3-bromo-2-ethenylpyridine;3-bromofuran-2-carbaldehyde;2,3-dibromopyridine;methane;methyl 1-(2-amino-2-oxoethyl)-2-(3-bromo-2-pyridinyl)-3-cyclohexylindole-6-carboxylate;methyl 2-(3-bromo-2-pyridinyl)-3-cyclohexyl-1H-indole-6-carboxylate;methyl 18-cyclohexyl-6,11-diazatetracyclo[9.7.0.02,7.012,17]octadeca-1(18),2(7),3,5,8,12(17),13,15-octaene-14-carboxylate;methyl 3-cyclohexyl-2-(2-ethenylfuran-3-yl)-1-prop-2-enylindole-6-carboxylate;methyl 3-cyclohexyl-2-(2-ethenyl-3-pyridinyl)-1H-indole-6-carboxylate;methyl 3-cyclohexyl-2-(2-ethenyl-3-pyridinyl)-1-prop-2-enylindole-6-carboxylate;methyl 3-cyclohexyl-2-(2-formylfuran-3-yl)-1H-indole-6-carboxylate;methyl 17-cyclohexyl-5-oxa-10-azatetracyclo[8.7.0.02,6.011,16]heptadeca-1(17),2(6),3,7,11(16),12,14-heptaene-13-carboxylate;methyl 18-cyclohexyl-9-oxo-3,8,11-triazatetracyclo[9.7.0.02,7.012,17]octadeca-1(18),2(7),3,5,12(17),13,15-heptaene-14-carboxylate;methyl 3-cyclohexyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole-6-carboxylate;methylidene(triphenyl)-λ5-phosphane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane.
What is the SMILES notation for 3-bromo-2-ethenylpyridine;3-bromofuran-2-carbaldehyde;2,3-dibromopyridine;methane;methyl 1-(2-amino-2-oxoethyl)-2-(3-bromo-2-pyridinyl)-3-cyclohexylindole-6-carboxylate;methyl 2-(3-bromo-2-pyridinyl)-3-cyclohexyl-1H-indole-6-carboxylate;methyl 18-cyclohexyl-6,11-diazatetracyclo[9.7.0.02,7.012,17]octadeca-1(18),2(7),3,5,8,12(17),13,15-octaene-14-carboxylate;methyl 3-cyclohexyl-2-(2-ethenylfuran-3-yl)-1-prop-2-enylindole-6-carboxylate;methyl 3-cyclohexyl-2-(2-ethenyl-3-pyridinyl)-1H-indole-6-carboxylate;methyl 3-cyclohexyl-2-(2-ethenyl-3-pyridinyl)-1-prop-2-enylindole-6-carboxylate;methyl 3-cyclohexyl-2-(2-formylfuran-3-yl)-1H-indole-6-carboxylate;methyl 17-cyclohexyl-5-oxa-10-azatetracyclo[8.7.0.02,6.011,16]heptadeca-1(17),2(6),3,7,11(16),12,14-heptaene-13-carboxylate;methyl 18-cyclohexyl-9-oxo-3,8,11-triazatetracyclo[9.7.0.02,7.012,17]octadeca-1(18),2(7),3,5,12(17),13,15-heptaene-14-carboxylate;methyl 3-cyclohexyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole-6-carboxylate;methylidene(triphenyl)-λ5-phosphane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?
The canonical SMILES for 3-bromo-2-ethenylpyridine;3-bromofuran-2-carbaldehyde;2,3-dibromopyridine;methane;methyl 1-(2-amino-2-oxoethyl)-2-(3-bromo-2-pyridinyl)-3-cyclohexylindole-6-carboxylate;methyl 2-(3-bromo-2-pyridinyl)-3-cyclohexyl-1H-indole-6-carboxylate;methyl 18-cyclohexyl-6,11-diazatetracyclo[9.7.0.02,7.012,17]octadeca-1(18),2(7),3,5,8,12(17),13,15-octaene-14-carboxylate;methyl 3-cyclohexyl-2-(2-ethenylfuran-3-yl)-1-prop-2-enylindole-6-carboxylate;methyl 3-cyclohexyl-2-(2-ethenyl-3-pyridinyl)-1H-indole-6-carboxylate;methyl 3-cyclohexyl-2-(2-ethenyl-3-pyridinyl)-1-prop-2-enylindole-6-carboxylate;methyl 3-cyclohexyl-2-(2-formylfuran-3-yl)-1H-indole-6-carboxylate;methyl 17-cyclohexyl-5-oxa-10-azatetracyclo[8.7.0.02,6.011,16]heptadeca-1(17),2(6),3,7,11(16),12,14-heptaene-13-carboxylate;methyl 18-cyclohexyl-9-oxo-3,8,11-triazatetracyclo[9.7.0.02,7.012,17]octadeca-1(18),2(7),3,5,12(17),13,15-heptaene-14-carboxylate;methyl 3-cyclohexyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole-6-carboxylate;methylidene(triphenyl)-λ5-phosphane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane is Brc1cccnc1Br.C.C=CCn1c(-c2cccnc2C=C)c(C2CCCCC2)c2ccc(C(=O)OC)cc21.C=CCn1c(-c2ccoc2C=C)c(C2CCCCC2)c2ccc(C(=O)OC)cc21.C=Cc1ncccc1-c1[nH]c2cc(C(=O)OC)ccc2c1C1CCCCC1.C=Cc1ncccc1Br.C=P(c1ccccc1)(c1ccccc1)c1ccccc1.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.COC(=O)c1ccc2c(C3CCCCC3)c(-c3ccoc3C=O)[nH]c2c1.COC(=O)c1ccc2c(C3CCCCC3)c(-c3ncccc3Br)[nH]c2c1.COC(=O)c1ccc2c(C3CCCCC3)c(-c3ncccc3Br)n(CC(N)=O)c2c1.COC(=O)c1ccc2c(C3CCCCC3)c(B3OC(C)(C)C(C)(C)O3)[nH]c2c1.COC(=O)c1ccc2c(C3CCCCC3)c3n(c2c1)CC(=O)Nc1cccnc1-3.COC(=O)c1ccc2c(C3CCCCC3)c3n(c2c1)CC=Cc1ncccc1-3.COC(=O)c1ccc2c(C3CCCCC3)c3n(c2c1)CC=Cc1occc1-3.O=Cc1occc1Br.
What is the InChIKey of 3-bromo-2-ethenylpyridine;3-bromofuran-2-carbaldehyde;2,3-dibromopyridine;methane;methyl 1-(2-amino-2-oxoethyl)-2-(3-bromo-2-pyridinyl)-3-cyclohexylindole-6-carboxylate;methyl 2-(3-bromo-2-pyridinyl)-3-cyclohexyl-1H-indole-6-carboxylate;methyl 18-cyclohexyl-6,11-diazatetracyclo[9.7.0.02,7.012,17]octadeca-1(18),2(7),3,5,8,12(17),13,15-octaene-14-carboxylate;methyl 3-cyclohexyl-2-(2-ethenylfuran-3-yl)-1-prop-2-enylindole-6-carboxylate;methyl 3-cyclohexyl-2-(2-ethenyl-3-pyridinyl)-1H-indole-6-carboxylate;methyl 3-cyclohexyl-2-(2-ethenyl-3-pyridinyl)-1-prop-2-enylindole-6-carboxylate;methyl 3-cyclohexyl-2-(2-formylfuran-3-yl)-1H-indole-6-carboxylate;methyl 17-cyclohexyl-5-oxa-10-azatetracyclo[8.7.0.02,6.011,16]heptadeca-1(17),2(6),3,7,11(16),12,14-heptaene-13-carboxylate;methyl 18-cyclohexyl-9-oxo-3,8,11-triazatetracyclo[9.7.0.02,7.012,17]octadeca-1(18),2(7),3,5,12(17),13,15-heptaene-14-carboxylate;methyl 3-cyclohexyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole-6-carboxylate;methylidene(triphenyl)-λ5-phosphane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?
The InChIKey is FHSMSRIYWKELDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O2.C25H27NO3.C24H24N2O2.C23H24BrN3O3.C23H23N3O3.C23H24N2O2.C23H23NO3.C22H30BNO4.C21H21BrN2O2.C21H21NO4.C19H17P.C12H24B2O4.C7H6BrN.C5H3Br2N.C5H3BrO2.CH4/c1-4-16-28-23-17-19(26(29)30-3)13-14-21(23)24(18-10-7-6-8-11-18)25(28)20-12-9-15-27-22(20)5-2;1-4-14-26-21-16-18(25(27)28-3)11-12-19(21)23(17-9-7-6-8-10-17)24(26)20-13-15-29-22(20)5-2;1-28-24(27)17-11-12-19-21(15-17)26-14-6-10-20-18(9-5-13-25-20)23(26)22(19)16-7-3-2-4-8-16;1-30-23(29)15-9-10-16-18(12-15)27(13-19(25)28)22(21-17(24)8-5-11-26-21)20(16)14-6-3-2-4-7-14;1-29-23(28)15-9-10-16-18(12-15)26-13-19(27)25-17-8-5-11-24-21(17)22(26)20(16)14-6-3-2-4-7-14;1-3-19-18(10-7-13-24-19)22-21(15-8-5-4-6-9-15)17-12-11-16(23(26)27-2)14-20(17)25-22;1-26-23(25)16-9-10-17-19(14-16)24-12-5-8-20-18(11-13-27-20)22(24)21(17)15-6-3-2-4-7-15;1-21(2)22(3,4)28-23(27-21)19-18(14-9-7-6-8-10-14)16-12-11-15(20(25)26-5)13-17(16)24-19;1-26-21(25)14-9-10-15-17(12-14)24-20(19-16(22)8-5-11-23-19)18(15)13-6-3-2-4-7-13;1-25-21(24)14-7-8-15-17(11-14)22-20(16-9-10-26-18(16)12-23)19(15)13-5-3-2-4-6-13;1-20(17-11-5-2-6-12-17,18-13-7-3-8-14-18)19-15-9-4-10-16-19;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;1-2-7-6(8)4-3-5-9-7;6-4-2-1-3-8-5(4)7;6-4-1-2-8-5(4)3-7;/h4-5,9,12-15,17-18H,1-2,6-8,10-11,16H2,3H3;4-5,11-13,15-17H,1-2,6-10,14H2,3H3;5-6,9-13,15-16H,2-4,7-8,14H2,1H3;5,8-12,14H,2-4,6-7,13H2,1H3,(H2,25,28);5,8-12,14H,2-4,6-7,13H2,1H3,(H,25,27);3,7,10-15,25H,1,4-6,8-9H2,2H3;5,8-11,13-15H,2-4,6-7,12H2,1H3;11-14,24H,6-10H2,1-5H3;5,8-13,24H,2-4,6-7H2,1H3;7-13,22H,2-6H2,1H3;2-16H,1H2;1-8H3;2-5H,1H2;2*1-3H;1H4.
What are the key properties of 3-bromo-2-ethenylpyridine;3-bromofuran-2-carbaldehyde;2,3-dibromopyridine;methane;methyl 1-(2-amino-2-oxoethyl)-2-(3-bromo-2-pyridinyl)-3-cyclohexylindole-6-carboxylate;methyl 2-(3-bromo-2-pyridinyl)-3-cyclohexyl-1H-indole-6-carboxylate;methyl 18-cyclohexyl-6,11-diazatetracyclo[9.7.0.02,7.012,17]octadeca-1(18),2(7),3,5,8,12(17),13,15-octaene-14-carboxylate;methyl 3-cyclohexyl-2-(2-ethenylfuran-3-yl)-1-prop-2-enylindole-6-carboxylate;methyl 3-cyclohexyl-2-(2-ethenyl-3-pyridinyl)-1H-indole-6-carboxylate;methyl 3-cyclohexyl-2-(2-ethenyl-3-pyridinyl)-1-prop-2-enylindole-6-carboxylate;methyl 3-cyclohexyl-2-(2-formylfuran-3-yl)-1H-indole-6-carboxylate;methyl 17-cyclohexyl-5-oxa-10-azatetracyclo[8.7.0.02,6.011,16]heptadeca-1(17),2(6),3,7,11(16),12,14-heptaene-13-carboxylate;methyl 18-cyclohexyl-9-oxo-3,8,11-triazatetracyclo[9.7.0.02,7.012,17]octadeca-1(18),2(7),3,5,12(17),13,15-heptaene-14-carboxylate;methyl 3-cyclohexyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole-6-carboxylate;methylidene(triphenyl)-λ5-phosphane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?
3-bromo-2-ethenylpyridine;3-bromofuran-2-carbaldehyde;2,3-dibromopyridine;methane;methyl 1-(2-amino-2-oxoethyl)-2-(3-bromo-2-pyridinyl)-3-cyclohexylindole-6-carboxylate;methyl 2-(3-bromo-2-pyridinyl)-3-cyclohexyl-1H-indole-6-carboxylate;methyl 18-cyclohexyl-6,11-diazatetracyclo[9.7.0.02,7.012,17]octadeca-1(18),2(7),3,5,8,12(17),13,15-octaene-14-carboxylate;methyl 3-cyclohexyl-2-(2-ethenylfuran-3-yl)-1-prop-2-enylindole-6-carboxylate;methyl 3-cyclohexyl-2-(2-ethenyl-3-pyridinyl)-1H-indole-6-carboxylate;methyl 3-cyclohexyl-2-(2-ethenyl-3-pyridinyl)-1-prop-2-enylindole-6-carboxylate;methyl 3-cyclohexyl-2-(2-formylfuran-3-yl)-1H-indole-6-carboxylate;methyl 17-cyclohexyl-5-oxa-10-azatetracyclo[8.7.0.02,6.011,16]heptadeca-1(17),2(6),3,7,11(16),12,14-heptaene-13-carboxylate;methyl 18-cyclohexyl-9-oxo-3,8,11-triazatetracyclo[9.7.0.02,7.012,17]octadeca-1(18),2(7),3,5,12(17),13,15-heptaene-14-carboxylate;methyl 3-cyclohexyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole-6-carboxylate;methylidene(triphenyl)-λ5-phosphane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane has a molecular weight of 5034.44 g/mol, XLogP of 67.69, 43 rotatable bonds, 6 hydrogen bond donors, and 48 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-ethenylpyridine;3-bromofuran-2-carbaldehyde;2,3-dibromopyridine;methane;methyl 1-(2-amino-2-oxoethyl)-2-(3-bromo-2-pyridinyl)-3-cyclohexylindole-6-carboxylate;methyl 2-(3-bromo-2-pyridinyl)-3-cyclohexyl-1H-indole-6-carboxylate;methyl 18-cyclohexyl-6,11-diazatetracyclo[9.7.0.02,7.012,17]octadeca-1(18),2(7),3,5,8,12(17),13,15-octaene-14-carboxylate;methyl 3-cyclohexyl-2-(2-ethenylfuran-3-yl)-1-prop-2-enylindole-6-carboxylate;methyl 3-cyclohexyl-2-(2-ethenyl-3-pyridinyl)-1H-indole-6-carboxylate;methyl 3-cyclohexyl-2-(2-ethenyl-3-pyridinyl)-1-prop-2-enylindole-6-carboxylate;methyl 3-cyclohexyl-2-(2-formylfuran-3-yl)-1H-indole-6-carboxylate;methyl 17-cyclohexyl-5-oxa-10-azatetracyclo[8.7.0.02,6.011,16]heptadeca-1(17),2(6),3,7,11(16),12,14-heptaene-13-carboxylate;methyl 18-cyclohexyl-9-oxo-3,8,11-triazatetracyclo[9.7.0.02,7.012,17]octadeca-1(18),2(7),3,5,12(17),13,15-heptaene-14-carboxylate;methyl 3-cyclohexyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole-6-carboxylate;methylidene(triphenyl)-λ5-phosphane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane is sourced from PubChem (CID 158035760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).