4-[2-(1-buta-1,3-dien-2-ylpyrrolidin-3-yl)-1-benzofuran-6-yl]-5-methyl-1H-indazole;4-[2-(1-buta-1,3-dien-2-ylpyrrolidin-3-yl)-1-benzofuran-6-yl]naphthalen-2-ol;1-[3-[6-chloro-4-fluoro-5-(2-fluoro-6-hydroxyphenyl)benzimidazol-1-yl]azetidin-1-yl]prop-2-en-1-one;1-[3-[6-chloro-5-(2-fluoro-6-hydroxyphenyl)benzimidazol-1-yl]azetidin-1-yl]prop-2-en-1-one;1-[3-[1-[3-(dimethylamino)propyl]-6-(3-hydroxynaphthalen-1-yl)benzimidazol-2-yl]azetidin-1-yl]prop-2-en-1-one;1-[3-[1-[3-(dimethylamino)propyl]-6-(5-methyl-1H-indazol-4-yl)benzimidazol-2-yl]azetidin-1-yl]prop-2-en-1-one;5-(2-fluoro-6-hydroxyphenyl)-1-(1-prop-2-enoylazetidin-3-yl)benzimidazole-2-carbonitrile;1-[3-[5-(3-hydroxynaphthalen-1-yl)benzimidazol-1-yl]azetidin-1-yl]prop-2-en-1-one;1-[3-[6-(3-hydroxynaphthalen-1-yl)-1-benzofuran-2-yl]azetidin-1-yl]but-2-yn-1-one;1-[3-[5-(3-hydroxynaphthalen-1-yl)indol-1-yl]azetidin-1-yl]prop-2-en-1-one;6-(3-hydroxynaphthalen-1-yl)-2-(1-prop-2-enoylazetidin-3-yl)imidazo[1,2-a]pyridine-3-carboxamide;6-(5-methyl-1H-indazol-4-yl)-2-(1-prop-2-enoylazetidin-3-yl)imidazo[1,2-a]pyridine-3-carboxamide

C280H248Cl2F4N40O24 — CID 165056091

IUPAC4-[2-(1-buta-1,3-dien-2-ylpyrrolidin-3-yl)-1-benzofuran-6-yl]-5-methyl-1H-indazole;4-[2-(1-buta-1,3-dien-2-ylpyrrolidin-3-yl)-1-benzofuran-6-yl]naphthalen-2-ol;1-[3-[6-chloro-4-fluoro-5-(2-fluoro-6-hydroxyphenyl)benzimidazol-1-yl]azetidin-1-yl]prop-2-en-1-one;1-[3-[6-chloro-5-(2-fluoro-6-hydroxyphenyl)benzimidazol-1-yl]azetidin-1-yl]prop-2-en-1-one;1-[3-[1-[3-(dimethylamino)propyl]-6-(3-hydroxynaphthalen-1-yl)benzimidazol-2-yl]azetidin-1-yl]prop-2-en-1-one;1-[3-[1-[3-(dimethylamino)propyl]-6-(5-methyl-1H-indazol-4-yl)benzimidazol-2-yl]azetidin-1-yl]prop-2-en-1-one;5-(2-fluoro-6-hydroxyphenyl)-1-(1-prop-2-enoylazetidin-3-yl)benzimidazole-2-carbonitrile;1-[3-[5-(3-hydroxynaphthalen-1-yl)benzimidazol-1-yl]azetidin-1-yl]prop-2-en-1-one;1-[3-[6-(3-hydroxynaphthalen-1-yl)-1-benzofuran-2-yl]azetidin-1-yl]but-2-yn-1-one;1-[3-[5-(3-hydroxynaphthalen-1-yl)indol-1-yl]azetidin-1-yl]prop-2-en-1-one;6-(3-hydroxynaphthalen-1-yl)-2-(1-prop-2-enoylazetidin-3-yl)imidazo[1,2-a]pyridine-3-carboxamide;6-(5-methyl-1H-indazol-4-yl)-2-(1-prop-2-enoylazetidin-3-yl)imidazo[1,2-a]pyridine-3-carboxamide
SMILESC=CC(=C)N1CCC(c2cc3ccc(-c4c(C)ccc5[nH]ncc45)cc3o2)C1.C=CC(=C)N1CCC(c2cc3ccc(-c4cc(O)cc5ccccc45)cc3o2)C1.C=CC(=O)N1CC(c2nc3ccc(-c4c(C)ccc5[nH]ncc45)cc3n2CCCN(C)C)C1.C=CC(=O)N1CC(c2nc3ccc(-c4c(C)ccc5[nH]ncc45)cn3c2C(N)=O)C1.C=CC(=O)N1CC(c2nc3ccc(-c4cc(O)cc5ccccc45)cc3n2CCCN(C)C)C1.C=CC(=O)N1CC(c2nc3ccc(-c4cc(O)cc5ccccc45)cn3c2C(N)=O)C1.C=CC(=O)N1CC(n2c(C#N)nc3cc(-c4c(O)cccc4F)ccc32)C1.C=CC(=O)N1CC(n2ccc3cc(-c4cc(O)cc5ccccc45)ccc32)C1.C=CC(=O)N1CC(n2cnc3c(F)c(-c4c(O)cccc4F)c(Cl)cc32)C1.C=CC(=O)N1CC(n2cnc3cc(-c4c(O)cccc4F)c(Cl)cc32)C1.C=CC(=O)N1CC(n2cnc3cc(-c4cc(O)cc5ccccc45)ccc32)C1.CC#CC(=O)N1CC(c2cc3ccc(-c4cc(O)cc5ccccc45)cc3o2)C1
InChIInChI=1S/C28H30N4O2.C26H30N6O.C26H23NO2.C25H19NO3.C24H20N4O3.C24H23N3O.C24H20N2O2.C23H19N3O2.C22H20N6O2.C20H15FN4O2.C19H14ClF2N3O2.C19H15ClFN3O2/c1-4-27(34)31-17-21(18-31)28-29-25-11-10-20(15-26(25)32(28)13-7-12-30(2)3)24-16-22(33)14-19-8-5-6-9-23(19)24;1-5-24(33)31-15-19(16-31)26-28-22-10-8-18(13-23(22)32(26)12-6-11-30(3)4)25-17(2)7-9-21-20(25)14-27-29-21;1-3-17(2)27-11-10-21(16-27)26-14-20-9-8-19(13-25(20)29-26)24-15-22(28)12-18-6-4-5-7-23(18)24;1-2-5-25(28)26-14-19(15-26)24-12-18-9-8-17(11-23(18)29-24)22-13-20(27)10-16-6-3-4-7-21(16)22;1-2-21(30)27-11-16(12-27)22-23(24(25)31)28-13-15(7-8-20(28)26-22)19-10-17(29)9-14-5-3-4-6-18(14)19;1-4-16(3)27-10-9-19(14-27)23-11-17-6-7-18(12-22(17)28-23)24-15(2)5-8-21-20(24)13-25-26-21;1-2-24(28)25-14-19(15-25)26-10-9-18-11-17(7-8-23(18)26)22-13-20(27)12-16-5-3-4-6-21(16)22;1-2-23(28)25-12-17(13-25)26-14-24-21-10-16(7-8-22(21)26)20-11-18(27)9-15-5-3-4-6-19(15)20;1-3-18(29)27-9-14(10-27)20-21(22(23)30)28-11-13(5-7-17(28)25-20)19-12(2)4-6-16-15(19)8-24-26-16;1-2-19(27)24-10-13(11-24)25-16-7-6-12(8-15(16)23-18(25)9-22)20-14(21)4-3-5-17(20)26;1-2-15(27)24-7-10(8-24)25-9-23-19-13(25)6-11(20)16(18(19)22)17-12(21)4-3-5-14(17)26;1-2-18(26)23-8-11(9-23)24-10-22-15-6-12(13(20)7-16(15)24)19-14(21)4-3-5-17(19)25/h4-6,8-11,14-16,21,33H,1,7,12-13,17-18H2,2-3H3;5,7-10,13-14,19H,1,6,11-12,15-16H2,2-4H3,(H,27,29);3-9,12-15,21,28H,1-2,10-11,16H2;3-4,6-13,19,27H,14-15H2,1H3;2-10,13,16,29H,1,11-12H2,(H2,25,31);4-8,11-13,19H,1,3,9-10,14H2,2H3,(H,25,26);2-13,19,27H,1,14-15H2;2-11,14,17,27H,1,12-13H2;3-8,11,14H,1,9-10H2,2H3,(H2,23,30)(H,24,26);2-8,13,26H,1,10-11H2;2-6,9-10,26H,1,7-8H2;2-7,10-11,25H,1,8-9H2
InChIKeyQLEKKQFWWNHEBB-UHFFFAOYSA-N
MW4704.22 g/mol
LogP50.71
Rot. Bonds47

About 4-[2-(1-buta-1,3-dien-2-ylpyrrolidin-3-yl)-1-benzofuran-6-yl]-5-methyl-1H-indazole;4-[2-(1-buta-1,3-dien-2-ylpyrrolidin-3-yl)-1-benzofuran-6-yl]naphthalen-2-ol;1-[3-[6-chloro-4-fluoro-5-(2-fluoro-6-hydroxyphenyl)benzimidazol-1-yl]azetidin-1-yl]prop-2-en-1-one;1-[3-[6-chloro-5-(2-fluoro-6-hydroxyphenyl)benzimidazol-1-yl]azetidin-1-yl]prop-2-en-1-one;1-[3-[1-[3-(dimethylamino)propyl]-6-(3-hydroxynaphthalen-1-yl)benzimidazol-2-yl]azetidin-1-yl]prop-2-en-1-one;1-[3-[1-[3-(dimethylamino)propyl]-6-(5-methyl-1H-indazol-4-yl)benzimidazol-2-yl]azetidin-1-yl]prop-2-en-1-one;5-(2-fluoro-6-hydroxyphenyl)-1-(1-prop-2-enoylazetidin-3-yl)benzimidazole-2-carbonitrile;1-[3-[5-(3-hydroxynaphthalen-1-yl)benzimidazol-1-yl]azetidin-1-yl]prop-2-en-1-one;1-[3-[6-(3-hydroxynaphthalen-1-yl)-1-benzofuran-2-yl]azetidin-1-yl]but-2-yn-1-one;1-[3-[5-(3-hydroxynaphthalen-1-yl)indol-1-yl]azetidin-1-yl]prop-2-en-1-one;6-(3-hydroxynaphthalen-1-yl)-2-(1-prop-2-enoylazetidin-3-yl)imidazo[1,2-a]pyridine-3-carboxamide;6-(5-methyl-1H-indazol-4-yl)-2-(1-prop-2-enoylazetidin-3-yl)imidazo[1,2-a]pyridine-3-carboxamide

4-[2-(1-buta-1,3-dien-2-ylpyrrolidin-3-yl)-1-benzofuran-6-yl]-5-methyl-1H-indazole;4-[2-(1-buta-1,3-dien-2-ylpyrrolidin-3-yl)-1-benzofuran-6-yl]naphthalen-2-ol;1-[3-[6-chloro-4-fluoro-5-(2-fluoro-6-hydroxyphenyl)benzimidazol-1-yl]azetidin-1-yl]prop-2-en-1-one;1-[3-[6-chloro-5-(2-fluoro-6-hydroxyphenyl)benzimidazol-1-yl]azetidin-1-yl]prop-2-en-1-one;1-[3-[1-[3-(dimethylamino)propyl]-6-(3-hydroxynaphthalen-1-yl)benzimidazol-2-yl]azetidin-1-yl]prop-2-en-1-one;1-[3-[1-[3-(dimethylamino)propyl]-6-(5-methyl-1H-indazol-4-yl)benzimidazol-2-yl]azetidin-1-yl]prop-2-en-1-one;5-(2-fluoro-6-hydroxyphenyl)-1-(1-prop-2-enoylazetidin-3-yl)benzimidazole-2-carbonitrile;1-[3-[5-(3-hydroxynaphthalen-1-yl)benzimidazol-1-yl]azetidin-1-yl]prop-2-en-1-one;1-[3-[6-(3-hydroxynaphthalen-1-yl)-1-benzofuran-2-yl]azetidin-1-yl]but-2-yn-1-one;1-[3-[5-(3-hydroxynaphthalen-1-yl)indol-1-yl]azetidin-1-yl]prop-2-en-1-one;6-(3-hydroxynaphthalen-1-yl)-2-(1-prop-2-enoylazetidin-3-yl)imidazo[1,2-a]pyridine-3-carboxamide;6-(5-methyl-1H-indazol-4-yl)-2-(1-prop-2-enoylazetidin-3-yl)imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 165056091) has the molecular formula C280H248Cl2F4N40O24 and a molecular weight of 4704.22 g/mol. Its IUPAC name is 4-[2-(1-buta-1,3-dien-2-ylpyrrolidin-3-yl)-1-benzofuran-6-yl]-5-methyl-1H-indazole;4-[2-(1-buta-1,3-dien-2-ylpyrrolidin-3-yl)-1-benzofuran-6-yl]naphthalen-2-ol;1-[3-[6-chloro-4-fluoro-5-(2-fluoro-6-hydroxyphenyl)benzimidazol-1-yl]azetidin-1-yl]prop-2-en-1-one;1-[3-[6-chloro-5-(2-fluoro-6-hydroxyphenyl)benzimidazol-1-yl]azetidin-1-yl]prop-2-en-1-one;1-[3-[1-[3-(dimethylamino)propyl]-6-(3-hydroxynaphthalen-1-yl)benzimidazol-2-yl]azetidin-1-yl]prop-2-en-1-one;1-[3-[1-[3-(dimethylamino)propyl]-6-(5-methyl-1H-indazol-4-yl)benzimidazol-2-yl]azetidin-1-yl]prop-2-en-1-one;5-(2-fluoro-6-hydroxyphenyl)-1-(1-prop-2-enoylazetidin-3-yl)benzimidazole-2-carbonitrile;1-[3-[5-(3-hydroxynaphthalen-1-yl)benzimidazol-1-yl]azetidin-1-yl]prop-2-en-1-one;1-[3-[6-(3-hydroxynaphthalen-1-yl)-1-benzofuran-2-yl]azetidin-1-yl]but-2-yn-1-one;1-[3-[5-(3-hydroxynaphthalen-1-yl)indol-1-yl]azetidin-1-yl]prop-2-en-1-one;6-(3-hydroxynaphthalen-1-yl)-2-(1-prop-2-enoylazetidin-3-yl)imidazo[1,2-a]pyridine-3-carboxamide;6-(5-methyl-1H-indazol-4-yl)-2-(1-prop-2-enoylazetidin-3-yl)imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name4-[2-(1-buta-1,3-dien-2-ylpyrrolidin-3-yl)-1-benzofuran-6-yl]-5-methyl-1H-indazole;4-[2-(1-buta-1,3-dien-2-ylpyrrolidin-3-yl)-1-benzofuran-6-yl]naphthalen-2-ol;1-[3-[6-chloro-4-fluoro-5-(2-fluoro-6-hydroxyphenyl)benzimidazol-1-yl]azetidin-1-yl]prop-2-en-1-one;1-[3-[6-chloro-5-(2-fluoro-6-hydroxyphenyl)benzimidazol-1-yl]azetidin-1-yl]prop-2-en-1-one;1-[3-[1-[3-(dimethylamino)propyl]-6-(3-hydroxynaphthalen-1-yl)benzimidazol-2-yl]azetidin-1-yl]prop-2-en-1-one;1-[3-[1-[3-(dimethylamino)propyl]-6-(5-methyl-1H-indazol-4-yl)benzimidazol-2-yl]azetidin-1-yl]prop-2-en-1-one;5-(2-fluoro-6-hydroxyphenyl)-1-(1-prop-2-enoylazetidin-3-yl)benzimidazole-2-carbonitrile;1-[3-[5-(3-hydroxynaphthalen-1-yl)benzimidazol-1-yl]azetidin-1-yl]prop-2-en-1-one;1-[3-[6-(3-hydroxynaphthalen-1-yl)-1-benzofuran-2-yl]azetidin-1-yl]but-2-yn-1-one;1-[3-[5-(3-hydroxynaphthalen-1-yl)indol-1-yl]azetidin-1-yl]prop-2-en-1-one;6-(3-hydroxynaphthalen-1-yl)-2-(1-prop-2-enoylazetidin-3-yl)imidazo[1,2-a]pyridine-3-carboxamide;6-(5-methyl-1H-indazol-4-yl)-2-(1-prop-2-enoylazetidin-3-yl)imidazo[1,2-a]pyridine-3-carboxamide
PubChem CID165056091
Molecular FormulaC280H248Cl2F4N40O24
Molecular Weight4704.22 g/mol
Exact Mass4699.87
IUPAC Name4-[2-(1-buta-1,3-dien-2-ylpyrrolidin-3-yl)-1-benzofuran-6-yl]-5-methyl-1H-indazole;4-[2-(1-buta-1,3-dien-2-ylpyrrolidin-3-yl)-1-benzofuran-6-yl]naphthalen-2-ol;1-[3-[6-chloro-4-fluoro-5-(2-fluoro-6-hydroxyphenyl)benzimidazol-1-yl]azetidin-1-yl]prop-2-en-1-one;1-[3-[6-chloro-5-(2-fluoro-6-hydroxyphenyl)benzimidazol-1-yl]azetidin-1-yl]prop-2-en-1-one;1-[3-[1-[3-(dimethylamino)propyl]-6-(3-hydroxynaphthalen-1-yl)benzimidazol-2-yl]azetidin-1-yl]prop-2-en-1-one;1-[3-[1-[3-(dimethylamino)propyl]-6-(5-methyl-1H-indazol-4-yl)benzimidazol-2-yl]azetidin-1-yl]prop-2-en-1-one;5-(2-fluoro-6-hydroxyphenyl)-1-(1-prop-2-enoylazetidin-3-yl)benzimidazole-2-carbonitrile;1-[3-[5-(3-hydroxynaphthalen-1-yl)benzimidazol-1-yl]azetidin-1-yl]prop-2-en-1-one;1-[3-[6-(3-hydroxynaphthalen-1-yl)-1-benzofuran-2-yl]azetidin-1-yl]but-2-yn-1-one;1-[3-[5-(3-hydroxynaphthalen-1-yl)indol-1-yl]azetidin-1-yl]prop-2-en-1-one;6-(3-hydroxynaphthalen-1-yl)-2-(1-prop-2-enoylazetidin-3-yl)imidazo[1,2-a]pyridine-3-carboxamide;6-(5-methyl-1H-indazol-4-yl)-2-(1-prop-2-enoylazetidin-3-yl)imidazo[1,2-a]pyridine-3-carboxamide
SMILESC=CC(=C)N1CCC(c2cc3ccc(-c4c(C)ccc5[nH]ncc45)cc3o2)C1.C=CC(=C)N1CCC(c2cc3ccc(-c4cc(O)cc5ccccc45)cc3o2)C1.C=CC(=O)N1CC(c2nc3ccc(-c4c(C)ccc5[nH]ncc45)cc3n2CCCN(C)C)C1.C=CC(=O)N1CC(c2nc3ccc(-c4c(C)ccc5[nH]ncc45)cn3c2C(N)=O)C1.C=CC(=O)N1CC(c2nc3ccc(-c4cc(O)cc5ccccc45)cc3n2CCCN(C)C)C1.C=CC(=O)N1CC(c2nc3ccc(-c4cc(O)cc5ccccc45)cn3c2C(N)=O)C1.C=CC(=O)N1CC(n2c(C#N)nc3cc(-c4c(O)cccc4F)ccc32)C1.C=CC(=O)N1CC(n2ccc3cc(-c4cc(O)cc5ccccc45)ccc32)C1.C=CC(=O)N1CC(n2cnc3c(F)c(-c4c(O)cccc4F)c(Cl)cc32)C1.C=CC(=O)N1CC(n2cnc3cc(-c4c(O)cccc4F)c(Cl)cc32)C1.C=CC(=O)N1CC(n2cnc3cc(-c4cc(O)cc5ccccc45)ccc32)C1.CC#CC(=O)N1CC(c2cc3ccc(-c4cc(O)cc5ccccc45)cc3o2)C1
InChIInChI=1S/C28H30N4O2.C26H30N6O.C26H23NO2.C25H19NO3.C24H20N4O3.C24H23N3O.C24H20N2O2.C23H19N3O2.C22H20N6O2.C20H15FN4O2.C19H14ClF2N3O2.C19H15ClFN3O2/c1-4-27(34)31-17-21(18-31)28-29-25-11-10-20(15-26(25)32(28)13-7-12-30(2)3)24-16-22(33)14-19-8-5-6-9-23(19)24;1-5-24(33)31-15-19(16-31)26-28-22-10-8-18(13-23(22)32(26)12-6-11-30(3)4)25-17(2)7-9-21-20(25)14-27-29-21;1-3-17(2)27-11-10-21(16-27)26-14-20-9-8-19(13-25(20)29-26)24-15-22(28)12-18-6-4-5-7-23(18)24;1-2-5-25(28)26-14-19(15-26)24-12-18-9-8-17(11-23(18)29-24)22-13-20(27)10-16-6-3-4-7-21(16)22;1-2-21(30)27-11-16(12-27)22-23(24(25)31)28-13-15(7-8-20(28)26-22)19-10-17(29)9-14-5-3-4-6-18(14)19;1-4-16(3)27-10-9-19(14-27)23-11-17-6-7-18(12-22(17)28-23)24-15(2)5-8-21-20(24)13-25-26-21;1-2-24(28)25-14-19(15-25)26-10-9-18-11-17(7-8-23(18)26)22-13-20(27)12-16-5-3-4-6-21(16)22;1-2-23(28)25-12-17(13-25)26-14-24-21-10-16(7-8-22(21)26)20-11-18(27)9-15-5-3-4-6-19(15)20;1-3-18(29)27-9-14(10-27)20-21(22(23)30)28-11-13(5-7-17(28)25-20)19-12(2)4-6-16-15(19)8-24-26-16;1-2-19(27)24-10-13(11-24)25-16-7-6-12(8-15(16)23-18(25)9-22)20-14(21)4-3-5-17(20)26;1-2-15(27)24-7-10(8-24)25-9-23-19-13(25)6-11(20)16(18(19)22)17-12(21)4-3-5-14(17)26;1-2-18(26)23-8-11(9-23)24-10-22-15-6-12(13(20)7-16(15)24)19-14(21)4-3-5-17(19)25/h4-6,8-11,14-16,21,33H,1,7,12-13,17-18H2,2-3H3;5,7-10,13-14,19H,1,6,11-12,15-16H2,2-4H3,(H,27,29);3-9,12-15,21,28H,1-2,10-11,16H2;3-4,6-13,19,27H,14-15H2,1H3;2-10,13,16,29H,1,11-12H2,(H2,25,31);4-8,11-13,19H,1,3,9-10,14H2,2H3,(H,25,26);2-13,19,27H,1,14-15H2;2-11,14,17,27H,1,12-13H2;3-8,11,14H,1,9-10H2,2H3,(H2,23,30)(H,24,26);2-8,13,26H,1,10-11H2;2-6,9-10,26H,1,7-8H2;2-7,10-11,25H,1,8-9H2
InChIKeyQLEKKQFWWNHEBB-UHFFFAOYSA-N
XLogP50.71
TPSA780.01 Ų
H-Bond Donors14
H-Bond Acceptors49
Rotatable Bonds47
Heavy Atoms350
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004704.22
LogP ≤ 550.71
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1049

Analyze 4-[2-(1-buta-1,3-dien-2-ylpyrrolidin-3-yl)-1-benzofuran-6-yl]-5-methyl-1H-indazole;4-[2-(1-buta-1,3-dien-2-ylpyrrolidin-3-yl)-1-benzofuran-6-yl]naphthalen-2-ol;1-[3-[6-chloro-4-fluoro-5-(2-fluoro-6-hydroxyphenyl)benzimidazol-1-yl]azetidin-1-yl]prop-2-en-1-one;1-[3-[6-chloro-5-(2-fluoro-6-hydroxyphenyl)benzimidazol-1-yl]azetidin-1-yl]prop-2-en-1-one;1-[3-[1-[3-(dimethylamino)propyl]-6-(3-hydroxynaphthalen-1-yl)benzimidazol-2-yl]azetidin-1-yl]prop-2-en-1-one;1-[3-[1-[3-(dimethylamino)propyl]-6-(5-methyl-1H-indazol-4-yl)benzimidazol-2-yl]azetidin-1-yl]prop-2-en-1-one;5-(2-fluoro-6-hydroxyphenyl)-1-(1-prop-2-enoylazetidin-3-yl)benzimidazole-2-carbonitrile;1-[3-[5-(3-hydroxynaphthalen-1-yl)benzimidazol-1-yl]azetidin-1-yl]prop-2-en-1-one;1-[3-[6-(3-hydroxynaphthalen-1-yl)-1-benzofuran-2-yl]azetidin-1-yl]but-2-yn-1-one;1-[3-[5-(3-hydroxynaphthalen-1-yl)indol-1-yl]azetidin-1-yl]prop-2-en-1-one;6-(3-hydroxynaphthalen-1-yl)-2-(1-prop-2-enoylazetidin-3-yl)imidazo[1,2-a]pyridine-3-carboxamide;6-(5-methyl-1H-indazol-4-yl)-2-(1-prop-2-enoylazetidin-3-yl)imidazo[1,2-a]pyridine-3-carboxamide with MolForge

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What is the IUPAC name of 4-[2-(1-buta-1,3-dien-2-ylpyrrolidin-3-yl)-1-benzofuran-6-yl]-5-methyl-1H-indazole;4-[2-(1-buta-1,3-dien-2-ylpyrrolidin-3-yl)-1-benzofuran-6-yl]naphthalen-2-ol;1-[3-[6-chloro-4-fluoro-5-(2-fluoro-6-hydroxyphenyl)benzimidazol-1-yl]azetidin-1-yl]prop-2-en-1-one;1-[3-[6-chloro-5-(2-fluoro-6-hydroxyphenyl)benzimidazol-1-yl]azetidin-1-yl]prop-2-en-1-one;1-[3-[1-[3-(dimethylamino)propyl]-6-(3-hydroxynaphthalen-1-yl)benzimidazol-2-yl]azetidin-1-yl]prop-2-en-1-one;1-[3-[1-[3-(dimethylamino)propyl]-6-(5-methyl-1H-indazol-4-yl)benzimidazol-2-yl]azetidin-1-yl]prop-2-en-1-one;5-(2-fluoro-6-hydroxyphenyl)-1-(1-prop-2-enoylazetidin-3-yl)benzimidazole-2-carbonitrile;1-[3-[5-(3-hydroxynaphthalen-1-yl)benzimidazol-1-yl]azetidin-1-yl]prop-2-en-1-one;1-[3-[6-(3-hydroxynaphthalen-1-yl)-1-benzofuran-2-yl]azetidin-1-yl]but-2-yn-1-one;1-[3-[5-(3-hydroxynaphthalen-1-yl)indol-1-yl]azetidin-1-yl]prop-2-en-1-one;6-(3-hydroxynaphthalen-1-yl)-2-(1-prop-2-enoylazetidin-3-yl)imidazo[1,2-a]pyridine-3-carboxamide;6-(5-methyl-1H-indazol-4-yl)-2-(1-prop-2-enoylazetidin-3-yl)imidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of 4-[2-(1-buta-1,3-dien-2-ylpyrrolidin-3-yl)-1-benzofuran-6-yl]-5-methyl-1H-indazole;4-[2-(1-buta-1,3-dien-2-ylpyrrolidin-3-yl)-1-benzofuran-6-yl]naphthalen-2-ol;1-[3-[6-chloro-4-fluoro-5-(2-fluoro-6-hydroxyphenyl)benzimidazol-1-yl]azetidin-1-yl]prop-2-en-1-one;1-[3-[6-chloro-5-(2-fluoro-6-hydroxyphenyl)benzimidazol-1-yl]azetidin-1-yl]prop-2-en-1-one;1-[3-[1-[3-(dimethylamino)propyl]-6-(3-hydroxynaphthalen-1-yl)benzimidazol-2-yl]azetidin-1-yl]prop-2-en-1-one;1-[3-[1-[3-(dimethylamino)propyl]-6-(5-methyl-1H-indazol-4-yl)benzimidazol-2-yl]azetidin-1-yl]prop-2-en-1-one;5-(2-fluoro-6-hydroxyphenyl)-1-(1-prop-2-enoylazetidin-3-yl)benzimidazole-2-carbonitrile;1-[3-[5-(3-hydroxynaphthalen-1-yl)benzimidazol-1-yl]azetidin-1-yl]prop-2-en-1-one;1-[3-[6-(3-hydroxynaphthalen-1-yl)-1-benzofuran-2-yl]azetidin-1-yl]but-2-yn-1-one;1-[3-[5-(3-hydroxynaphthalen-1-yl)indol-1-yl]azetidin-1-yl]prop-2-en-1-one;6-(3-hydroxynaphthalen-1-yl)-2-(1-prop-2-enoylazetidin-3-yl)imidazo[1,2-a]pyridine-3-carboxamide;6-(5-methyl-1H-indazol-4-yl)-2-(1-prop-2-enoylazetidin-3-yl)imidazo[1,2-a]pyridine-3-carboxamide (CID 165056091) is 4-[2-(1-buta-1,3-dien-2-ylpyrrolidin-3-yl)-1-benzofuran-6-yl]-5-methyl-1H-indazole;4-[2-(1-buta-1,3-dien-2-ylpyrrolidin-3-yl)-1-benzofuran-6-yl]naphthalen-2-ol;1-[3-[6-chloro-4-fluoro-5-(2-fluoro-6-hydroxyphenyl)benzimidazol-1-yl]azetidin-1-yl]prop-2-en-1-one;1-[3-[6-chloro-5-(2-fluoro-6-hydroxyphenyl)benzimidazol-1-yl]azetidin-1-yl]prop-2-en-1-one;1-[3-[1-[3-(dimethylamino)propyl]-6-(3-hydroxynaphthalen-1-yl)benzimidazol-2-yl]azetidin-1-yl]prop-2-en-1-one;1-[3-[1-[3-(dimethylamino)propyl]-6-(5-methyl-1H-indazol-4-yl)benzimidazol-2-yl]azetidin-1-yl]prop-2-en-1-one;5-(2-fluoro-6-hydroxyphenyl)-1-(1-prop-2-enoylazetidin-3-yl)benzimidazole-2-carbonitrile;1-[3-[5-(3-hydroxynaphthalen-1-yl)benzimidazol-1-yl]azetidin-1-yl]prop-2-en-1-one;1-[3-[6-(3-hydroxynaphthalen-1-yl)-1-benzofuran-2-yl]azetidin-1-yl]but-2-yn-1-one;1-[3-[5-(3-hydroxynaphthalen-1-yl)indol-1-yl]azetidin-1-yl]prop-2-en-1-one;6-(3-hydroxynaphthalen-1-yl)-2-(1-prop-2-enoylazetidin-3-yl)imidazo[1,2-a]pyridine-3-carboxamide;6-(5-methyl-1H-indazol-4-yl)-2-(1-prop-2-enoylazetidin-3-yl)imidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for 4-[2-(1-buta-1,3-dien-2-ylpyrrolidin-3-yl)-1-benzofuran-6-yl]-5-methyl-1H-indazole;4-[2-(1-buta-1,3-dien-2-ylpyrrolidin-3-yl)-1-benzofuran-6-yl]naphthalen-2-ol;1-[3-[6-chloro-4-fluoro-5-(2-fluoro-6-hydroxyphenyl)benzimidazol-1-yl]azetidin-1-yl]prop-2-en-1-one;1-[3-[6-chloro-5-(2-fluoro-6-hydroxyphenyl)benzimidazol-1-yl]azetidin-1-yl]prop-2-en-1-one;1-[3-[1-[3-(dimethylamino)propyl]-6-(3-hydroxynaphthalen-1-yl)benzimidazol-2-yl]azetidin-1-yl]prop-2-en-1-one;1-[3-[1-[3-(dimethylamino)propyl]-6-(5-methyl-1H-indazol-4-yl)benzimidazol-2-yl]azetidin-1-yl]prop-2-en-1-one;5-(2-fluoro-6-hydroxyphenyl)-1-(1-prop-2-enoylazetidin-3-yl)benzimidazole-2-carbonitrile;1-[3-[5-(3-hydroxynaphthalen-1-yl)benzimidazol-1-yl]azetidin-1-yl]prop-2-en-1-one;1-[3-[6-(3-hydroxynaphthalen-1-yl)-1-benzofuran-2-yl]azetidin-1-yl]but-2-yn-1-one;1-[3-[5-(3-hydroxynaphthalen-1-yl)indol-1-yl]azetidin-1-yl]prop-2-en-1-one;6-(3-hydroxynaphthalen-1-yl)-2-(1-prop-2-enoylazetidin-3-yl)imidazo[1,2-a]pyridine-3-carboxamide;6-(5-methyl-1H-indazol-4-yl)-2-(1-prop-2-enoylazetidin-3-yl)imidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for 4-[2-(1-buta-1,3-dien-2-ylpyrrolidin-3-yl)-1-benzofuran-6-yl]-5-methyl-1H-indazole;4-[2-(1-buta-1,3-dien-2-ylpyrrolidin-3-yl)-1-benzofuran-6-yl]naphthalen-2-ol;1-[3-[6-chloro-4-fluoro-5-(2-fluoro-6-hydroxyphenyl)benzimidazol-1-yl]azetidin-1-yl]prop-2-en-1-one;1-[3-[6-chloro-5-(2-fluoro-6-hydroxyphenyl)benzimidazol-1-yl]azetidin-1-yl]prop-2-en-1-one;1-[3-[1-[3-(dimethylamino)propyl]-6-(3-hydroxynaphthalen-1-yl)benzimidazol-2-yl]azetidin-1-yl]prop-2-en-1-one;1-[3-[1-[3-(dimethylamino)propyl]-6-(5-methyl-1H-indazol-4-yl)benzimidazol-2-yl]azetidin-1-yl]prop-2-en-1-one;5-(2-fluoro-6-hydroxyphenyl)-1-(1-prop-2-enoylazetidin-3-yl)benzimidazole-2-carbonitrile;1-[3-[5-(3-hydroxynaphthalen-1-yl)benzimidazol-1-yl]azetidin-1-yl]prop-2-en-1-one;1-[3-[6-(3-hydroxynaphthalen-1-yl)-1-benzofuran-2-yl]azetidin-1-yl]but-2-yn-1-one;1-[3-[5-(3-hydroxynaphthalen-1-yl)indol-1-yl]azetidin-1-yl]prop-2-en-1-one;6-(3-hydroxynaphthalen-1-yl)-2-(1-prop-2-enoylazetidin-3-yl)imidazo[1,2-a]pyridine-3-carboxamide;6-(5-methyl-1H-indazol-4-yl)-2-(1-prop-2-enoylazetidin-3-yl)imidazo[1,2-a]pyridine-3-carboxamide is C=CC(=C)N1CCC(c2cc3ccc(-c4c(C)ccc5[nH]ncc45)cc3o2)C1.C=CC(=C)N1CCC(c2cc3ccc(-c4cc(O)cc5ccccc45)cc3o2)C1.C=CC(=O)N1CC(c2nc3ccc(-c4c(C)ccc5[nH]ncc45)cc3n2CCCN(C)C)C1.C=CC(=O)N1CC(c2nc3ccc(-c4c(C)ccc5[nH]ncc45)cn3c2C(N)=O)C1.C=CC(=O)N1CC(c2nc3ccc(-c4cc(O)cc5ccccc45)cc3n2CCCN(C)C)C1.C=CC(=O)N1CC(c2nc3ccc(-c4cc(O)cc5ccccc45)cn3c2C(N)=O)C1.C=CC(=O)N1CC(n2c(C#N)nc3cc(-c4c(O)cccc4F)ccc32)C1.C=CC(=O)N1CC(n2ccc3cc(-c4cc(O)cc5ccccc45)ccc32)C1.C=CC(=O)N1CC(n2cnc3c(F)c(-c4c(O)cccc4F)c(Cl)cc32)C1.C=CC(=O)N1CC(n2cnc3cc(-c4c(O)cccc4F)c(Cl)cc32)C1.C=CC(=O)N1CC(n2cnc3cc(-c4cc(O)cc5ccccc45)ccc32)C1.CC#CC(=O)N1CC(c2cc3ccc(-c4cc(O)cc5ccccc45)cc3o2)C1.
What is the InChIKey of 4-[2-(1-buta-1,3-dien-2-ylpyrrolidin-3-yl)-1-benzofuran-6-yl]-5-methyl-1H-indazole;4-[2-(1-buta-1,3-dien-2-ylpyrrolidin-3-yl)-1-benzofuran-6-yl]naphthalen-2-ol;1-[3-[6-chloro-4-fluoro-5-(2-fluoro-6-hydroxyphenyl)benzimidazol-1-yl]azetidin-1-yl]prop-2-en-1-one;1-[3-[6-chloro-5-(2-fluoro-6-hydroxyphenyl)benzimidazol-1-yl]azetidin-1-yl]prop-2-en-1-one;1-[3-[1-[3-(dimethylamino)propyl]-6-(3-hydroxynaphthalen-1-yl)benzimidazol-2-yl]azetidin-1-yl]prop-2-en-1-one;1-[3-[1-[3-(dimethylamino)propyl]-6-(5-methyl-1H-indazol-4-yl)benzimidazol-2-yl]azetidin-1-yl]prop-2-en-1-one;5-(2-fluoro-6-hydroxyphenyl)-1-(1-prop-2-enoylazetidin-3-yl)benzimidazole-2-carbonitrile;1-[3-[5-(3-hydroxynaphthalen-1-yl)benzimidazol-1-yl]azetidin-1-yl]prop-2-en-1-one;1-[3-[6-(3-hydroxynaphthalen-1-yl)-1-benzofuran-2-yl]azetidin-1-yl]but-2-yn-1-one;1-[3-[5-(3-hydroxynaphthalen-1-yl)indol-1-yl]azetidin-1-yl]prop-2-en-1-one;6-(3-hydroxynaphthalen-1-yl)-2-(1-prop-2-enoylazetidin-3-yl)imidazo[1,2-a]pyridine-3-carboxamide;6-(5-methyl-1H-indazol-4-yl)-2-(1-prop-2-enoylazetidin-3-yl)imidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is QLEKKQFWWNHEBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N4O2.C26H30N6O.C26H23NO2.C25H19NO3.C24H20N4O3.C24H23N3O.C24H20N2O2.C23H19N3O2.C22H20N6O2.C20H15FN4O2.C19H14ClF2N3O2.C19H15ClFN3O2/c1-4-27(34)31-17-21(18-31)28-29-25-11-10-20(15-26(25)32(28)13-7-12-30(2)3)24-16-22(33)14-19-8-5-6-9-23(19)24;1-5-24(33)31-15-19(16-31)26-28-22-10-8-18(13-23(22)32(26)12-6-11-30(3)4)25-17(2)7-9-21-20(25)14-27-29-21;1-3-17(2)27-11-10-21(16-27)26-14-20-9-8-19(13-25(20)29-26)24-15-22(28)12-18-6-4-5-7-23(18)24;1-2-5-25(28)26-14-19(15-26)24-12-18-9-8-17(11-23(18)29-24)22-13-20(27)10-16-6-3-4-7-21(16)22;1-2-21(30)27-11-16(12-27)22-23(24(25)31)28-13-15(7-8-20(28)26-22)19-10-17(29)9-14-5-3-4-6-18(14)19;1-4-16(3)27-10-9-19(14-27)23-11-17-6-7-18(12-22(17)28-23)24-15(2)5-8-21-20(24)13-25-26-21;1-2-24(28)25-14-19(15-25)26-10-9-18-11-17(7-8-23(18)26)22-13-20(27)12-16-5-3-4-6-21(16)22;1-2-23(28)25-12-17(13-25)26-14-24-21-10-16(7-8-22(21)26)20-11-18(27)9-15-5-3-4-6-19(15)20;1-3-18(29)27-9-14(10-27)20-21(22(23)30)28-11-13(5-7-17(28)25-20)19-12(2)4-6-16-15(19)8-24-26-16;1-2-19(27)24-10-13(11-24)25-16-7-6-12(8-15(16)23-18(25)9-22)20-14(21)4-3-5-17(20)26;1-2-15(27)24-7-10(8-24)25-9-23-19-13(25)6-11(20)16(18(19)22)17-12(21)4-3-5-14(17)26;1-2-18(26)23-8-11(9-23)24-10-22-15-6-12(13(20)7-16(15)24)19-14(21)4-3-5-17(19)25/h4-6,8-11,14-16,21,33H,1,7,12-13,17-18H2,2-3H3;5,7-10,13-14,19H,1,6,11-12,15-16H2,2-4H3,(H,27,29);3-9,12-15,21,28H,1-2,10-11,16H2;3-4,6-13,19,27H,14-15H2,1H3;2-10,13,16,29H,1,11-12H2,(H2,25,31);4-8,11-13,19H,1,3,9-10,14H2,2H3,(H,25,26);2-13,19,27H,1,14-15H2;2-11,14,17,27H,1,12-13H2;3-8,11,14H,1,9-10H2,2H3,(H2,23,30)(H,24,26);2-8,13,26H,1,10-11H2;2-6,9-10,26H,1,7-8H2;2-7,10-11,25H,1,8-9H2.
What are the key properties of 4-[2-(1-buta-1,3-dien-2-ylpyrrolidin-3-yl)-1-benzofuran-6-yl]-5-methyl-1H-indazole;4-[2-(1-buta-1,3-dien-2-ylpyrrolidin-3-yl)-1-benzofuran-6-yl]naphthalen-2-ol;1-[3-[6-chloro-4-fluoro-5-(2-fluoro-6-hydroxyphenyl)benzimidazol-1-yl]azetidin-1-yl]prop-2-en-1-one;1-[3-[6-chloro-5-(2-fluoro-6-hydroxyphenyl)benzimidazol-1-yl]azetidin-1-yl]prop-2-en-1-one;1-[3-[1-[3-(dimethylamino)propyl]-6-(3-hydroxynaphthalen-1-yl)benzimidazol-2-yl]azetidin-1-yl]prop-2-en-1-one;1-[3-[1-[3-(dimethylamino)propyl]-6-(5-methyl-1H-indazol-4-yl)benzimidazol-2-yl]azetidin-1-yl]prop-2-en-1-one;5-(2-fluoro-6-hydroxyphenyl)-1-(1-prop-2-enoylazetidin-3-yl)benzimidazole-2-carbonitrile;1-[3-[5-(3-hydroxynaphthalen-1-yl)benzimidazol-1-yl]azetidin-1-yl]prop-2-en-1-one;1-[3-[6-(3-hydroxynaphthalen-1-yl)-1-benzofuran-2-yl]azetidin-1-yl]but-2-yn-1-one;1-[3-[5-(3-hydroxynaphthalen-1-yl)indol-1-yl]azetidin-1-yl]prop-2-en-1-one;6-(3-hydroxynaphthalen-1-yl)-2-(1-prop-2-enoylazetidin-3-yl)imidazo[1,2-a]pyridine-3-carboxamide;6-(5-methyl-1H-indazol-4-yl)-2-(1-prop-2-enoylazetidin-3-yl)imidazo[1,2-a]pyridine-3-carboxamide?
4-[2-(1-buta-1,3-dien-2-ylpyrrolidin-3-yl)-1-benzofuran-6-yl]-5-methyl-1H-indazole;4-[2-(1-buta-1,3-dien-2-ylpyrrolidin-3-yl)-1-benzofuran-6-yl]naphthalen-2-ol;1-[3-[6-chloro-4-fluoro-5-(2-fluoro-6-hydroxyphenyl)benzimidazol-1-yl]azetidin-1-yl]prop-2-en-1-one;1-[3-[6-chloro-5-(2-fluoro-6-hydroxyphenyl)benzimidazol-1-yl]azetidin-1-yl]prop-2-en-1-one;1-[3-[1-[3-(dimethylamino)propyl]-6-(3-hydroxynaphthalen-1-yl)benzimidazol-2-yl]azetidin-1-yl]prop-2-en-1-one;1-[3-[1-[3-(dimethylamino)propyl]-6-(5-methyl-1H-indazol-4-yl)benzimidazol-2-yl]azetidin-1-yl]prop-2-en-1-one;5-(2-fluoro-6-hydroxyphenyl)-1-(1-prop-2-enoylazetidin-3-yl)benzimidazole-2-carbonitrile;1-[3-[5-(3-hydroxynaphthalen-1-yl)benzimidazol-1-yl]azetidin-1-yl]prop-2-en-1-one;1-[3-[6-(3-hydroxynaphthalen-1-yl)-1-benzofuran-2-yl]azetidin-1-yl]but-2-yn-1-one;1-[3-[5-(3-hydroxynaphthalen-1-yl)indol-1-yl]azetidin-1-yl]prop-2-en-1-one;6-(3-hydroxynaphthalen-1-yl)-2-(1-prop-2-enoylazetidin-3-yl)imidazo[1,2-a]pyridine-3-carboxamide;6-(5-methyl-1H-indazol-4-yl)-2-(1-prop-2-enoylazetidin-3-yl)imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 4704.22 g/mol, XLogP of 50.71, 47 rotatable bonds, 14 hydrogen bond donors, and 49 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1-buta-1,3-dien-2-ylpyrrolidin-3-yl)-1-benzofuran-6-yl]-5-methyl-1H-indazole;4-[2-(1-buta-1,3-dien-2-ylpyrrolidin-3-yl)-1-benzofuran-6-yl]naphthalen-2-ol;1-[3-[6-chloro-4-fluoro-5-(2-fluoro-6-hydroxyphenyl)benzimidazol-1-yl]azetidin-1-yl]prop-2-en-1-one;1-[3-[6-chloro-5-(2-fluoro-6-hydroxyphenyl)benzimidazol-1-yl]azetidin-1-yl]prop-2-en-1-one;1-[3-[1-[3-(dimethylamino)propyl]-6-(3-hydroxynaphthalen-1-yl)benzimidazol-2-yl]azetidin-1-yl]prop-2-en-1-one;1-[3-[1-[3-(dimethylamino)propyl]-6-(5-methyl-1H-indazol-4-yl)benzimidazol-2-yl]azetidin-1-yl]prop-2-en-1-one;5-(2-fluoro-6-hydroxyphenyl)-1-(1-prop-2-enoylazetidin-3-yl)benzimidazole-2-carbonitrile;1-[3-[5-(3-hydroxynaphthalen-1-yl)benzimidazol-1-yl]azetidin-1-yl]prop-2-en-1-one;1-[3-[6-(3-hydroxynaphthalen-1-yl)-1-benzofuran-2-yl]azetidin-1-yl]but-2-yn-1-one;1-[3-[5-(3-hydroxynaphthalen-1-yl)indol-1-yl]azetidin-1-yl]prop-2-en-1-one;6-(3-hydroxynaphthalen-1-yl)-2-(1-prop-2-enoylazetidin-3-yl)imidazo[1,2-a]pyridine-3-carboxamide;6-(5-methyl-1H-indazol-4-yl)-2-(1-prop-2-enoylazetidin-3-yl)imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 165056091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).