About 1-[3-(1-aminoethenyl)phenyl]-3-[3-fluoro-4-[2-[5-[(2-methoxyethylamino)methyl]-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one;1-cyclopropyl-3-[3-fluoro-4-[2-[5-[(2-methoxyethylamino)methyl]-1-methylimidazol-2-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one;1-[3-fluoro-4-[2-[5-[(2-methoxyethylamino)methyl]-1-methylimidazol-2-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-3-(2-fluorophenyl)propan-2-one;1-[3-fluoro-4-[2-[5-[(2-methoxyethylamino)methyl]-1-methylimidazol-2-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-3-[2-fluoro-5-(trifluoromethyl)phenyl]propan-2-one;1-[3-fluoro-4-[2-[5-(propylaminomethyl)-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-3-[3-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]propan-2-one
1-[3-(1-aminoethenyl)phenyl]-3-[3-fluoro-4-[2-[5-[(2-methoxyethylamino)methyl]-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one;1-cyclopropyl-3-[3-fluoro-4-[2-[5-[(2-methoxyethylamino)methyl]-1-methylimidazol-2-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one;1-[3-fluoro-4-[2-[5-[(2-methoxyethylamino)methyl]-1-methylimidazol-2-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-3-(2-fluorophenyl)propan-2-one;1-[3-fluoro-4-[2-[5-[(2-methoxyethylamino)methyl]-1-methylimidazol-2-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-3-[2-fluoro-5-(trifluoromethyl)phenyl]propan-2-one;1-[3-fluoro-4-[2-[5-(propylaminomethyl)-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-3-[3-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]propan-2-one (PubChem CID 158019131) has the molecular formula C154H147F10N19O15S6
and a molecular weight of 2886.37 g/mol. Its IUPAC name is 1-[3-(1-aminoethenyl)phenyl]-3-[3-fluoro-4-[2-[5-[(2-methoxyethylamino)methyl]-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one;1-cyclopropyl-3-[3-fluoro-4-[2-[5-[(2-methoxyethylamino)methyl]-1-methylimidazol-2-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one;1-[3-fluoro-4-[2-[5-[(2-methoxyethylamino)methyl]-1-methylimidazol-2-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-3-(2-fluorophenyl)propan-2-one;1-[3-fluoro-4-[2-[5-[(2-methoxyethylamino)methyl]-1-methylimidazol-2-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-3-[2-fluoro-5-(trifluoromethyl)phenyl]propan-2-one;1-[3-fluoro-4-[2-[5-(propylaminomethyl)-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-3-[3-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]propan-2-one.
Frequently Asked Questions
What is the IUPAC name of 1-[3-(1-aminoethenyl)phenyl]-3-[3-fluoro-4-[2-[5-[(2-methoxyethylamino)methyl]-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one;1-cyclopropyl-3-[3-fluoro-4-[2-[5-[(2-methoxyethylamino)methyl]-1-methylimidazol-2-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one;1-[3-fluoro-4-[2-[5-[(2-methoxyethylamino)methyl]-1-methylimidazol-2-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-3-(2-fluorophenyl)propan-2-one;1-[3-fluoro-4-[2-[5-[(2-methoxyethylamino)methyl]-1-methylimidazol-2-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-3-[2-fluoro-5-(trifluoromethyl)phenyl]propan-2-one;1-[3-fluoro-4-[2-[5-(propylaminomethyl)-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-3-[3-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]propan-2-one?
The IUPAC name of 1-[3-(1-aminoethenyl)phenyl]-3-[3-fluoro-4-[2-[5-[(2-methoxyethylamino)methyl]-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one;1-cyclopropyl-3-[3-fluoro-4-[2-[5-[(2-methoxyethylamino)methyl]-1-methylimidazol-2-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one;1-[3-fluoro-4-[2-[5-[(2-methoxyethylamino)methyl]-1-methylimidazol-2-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-3-(2-fluorophenyl)propan-2-one;1-[3-fluoro-4-[2-[5-[(2-methoxyethylamino)methyl]-1-methylimidazol-2-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-3-[2-fluoro-5-(trifluoromethyl)phenyl]propan-2-one;1-[3-fluoro-4-[2-[5-(propylaminomethyl)-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-3-[3-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]propan-2-one (CID 158019131) is 1-[3-(1-aminoethenyl)phenyl]-3-[3-fluoro-4-[2-[5-[(2-methoxyethylamino)methyl]-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one;1-cyclopropyl-3-[3-fluoro-4-[2-[5-[(2-methoxyethylamino)methyl]-1-methylimidazol-2-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one;1-[3-fluoro-4-[2-[5-[(2-methoxyethylamino)methyl]-1-methylimidazol-2-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-3-(2-fluorophenyl)propan-2-one;1-[3-fluoro-4-[2-[5-[(2-methoxyethylamino)methyl]-1-methylimidazol-2-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-3-[2-fluoro-5-(trifluoromethyl)phenyl]propan-2-one;1-[3-fluoro-4-[2-[5-(propylaminomethyl)-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-3-[3-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]propan-2-one.
What is the SMILES notation for 1-[3-(1-aminoethenyl)phenyl]-3-[3-fluoro-4-[2-[5-[(2-methoxyethylamino)methyl]-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one;1-cyclopropyl-3-[3-fluoro-4-[2-[5-[(2-methoxyethylamino)methyl]-1-methylimidazol-2-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one;1-[3-fluoro-4-[2-[5-[(2-methoxyethylamino)methyl]-1-methylimidazol-2-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-3-(2-fluorophenyl)propan-2-one;1-[3-fluoro-4-[2-[5-[(2-methoxyethylamino)methyl]-1-methylimidazol-2-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-3-[2-fluoro-5-(trifluoromethyl)phenyl]propan-2-one;1-[3-fluoro-4-[2-[5-(propylaminomethyl)-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-3-[3-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]propan-2-one?
The canonical SMILES for 1-[3-(1-aminoethenyl)phenyl]-3-[3-fluoro-4-[2-[5-[(2-methoxyethylamino)methyl]-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one;1-cyclopropyl-3-[3-fluoro-4-[2-[5-[(2-methoxyethylamino)methyl]-1-methylimidazol-2-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one;1-[3-fluoro-4-[2-[5-[(2-methoxyethylamino)methyl]-1-methylimidazol-2-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-3-(2-fluorophenyl)propan-2-one;1-[3-fluoro-4-[2-[5-[(2-methoxyethylamino)methyl]-1-methylimidazol-2-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-3-[2-fluoro-5-(trifluoromethyl)phenyl]propan-2-one;1-[3-fluoro-4-[2-[5-(propylaminomethyl)-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-3-[3-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]propan-2-one is C=C(N)c1cccc(CC(=O)Cc2ccc(Oc3ccnc4cc(-c5ccc(CNCCOC)cn5)sc34)c(F)c2)c1.C=S(C)(=O)c1cccc(CC(=O)Cc2ccc(Oc3ccnc4cc(-c5ccc(CNCCC)cn5)sc34)c(F)c2)c1.COCCNCc1cnc(-c2cc3nccc(Oc4ccc(CC(=O)CC5CC5)cc4F)c3s2)n1C.COCCNCc1cnc(-c2cc3nccc(Oc4ccc(CC(=O)Cc5cc(C(F)(F)F)ccc5F)cc4F)c3s2)n1C.COCCNCc1cnc(-c2cc3nccc(Oc4ccc(CC(=O)Cc5ccccc5F)cc4F)c3s2)n1C.
What is the InChIKey of 1-[3-(1-aminoethenyl)phenyl]-3-[3-fluoro-4-[2-[5-[(2-methoxyethylamino)methyl]-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one;1-cyclopropyl-3-[3-fluoro-4-[2-[5-[(2-methoxyethylamino)methyl]-1-methylimidazol-2-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one;1-[3-fluoro-4-[2-[5-[(2-methoxyethylamino)methyl]-1-methylimidazol-2-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-3-(2-fluorophenyl)propan-2-one;1-[3-fluoro-4-[2-[5-[(2-methoxyethylamino)methyl]-1-methylimidazol-2-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-3-[2-fluoro-5-(trifluoromethyl)phenyl]propan-2-one;1-[3-fluoro-4-[2-[5-(propylaminomethyl)-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-3-[3-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]propan-2-one?
The InChIKey is FFVQRTHZHULCFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H31FN4O3S.C33H32FN3O3S2.C31H27F5N4O3S.C30H28F2N4O3S.C27H29FN4O3S/c1-21(35)25-5-3-4-22(14-25)15-26(39)16-23-7-9-30(27(34)17-23)41-31-10-11-37-29-18-32(42-33(29)31)28-8-6-24(20-38-28)19-36-12-13-40-2;1-4-13-35-20-24-8-10-28(37-21-24)32-19-29-33(41-32)31(12-14-36-29)40-30-11-9-23(18-27(30)34)16-25(38)15-22-6-5-7-26(17-22)42(2,3)39;1-40-21(16-37-9-10-42-2)17-39-30(40)28-15-25-29(44-28)27(7-8-38-25)43-26-6-3-18(12-24(26)33)11-22(41)14-19-13-20(31(34,35)36)4-5-23(19)32;1-36-21(17-33-11-12-38-2)18-35-30(36)28-16-25-29(40-28)27(9-10-34-25)39-26-8-7-19(14-24(26)32)13-22(37)15-20-5-3-4-6-23(20)31;1-32-19(15-29-9-10-34-2)16-31-27(32)25-14-22-26(36-25)24(7-8-30-22)35-23-6-5-18(13-21(23)28)12-20(33)11-17-3-4-17/h3-11,14,17-18,20,36H,1,12-13,15-16,19,35H2,2H3;5-12,14,17-19,21,35H,2,4,13,15-16,20H2,1,3H3;3-8,12-13,15,17,37H,9-11,14,16H2,1-2H3;3-10,14,16,18,33H,11-13,15,17H2,1-2H3;5-8,13-14,16-17,29H,3-4,9-12,15H2,1-2H3.
What are the key properties of 1-[3-(1-aminoethenyl)phenyl]-3-[3-fluoro-4-[2-[5-[(2-methoxyethylamino)methyl]-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one;1-cyclopropyl-3-[3-fluoro-4-[2-[5-[(2-methoxyethylamino)methyl]-1-methylimidazol-2-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one;1-[3-fluoro-4-[2-[5-[(2-methoxyethylamino)methyl]-1-methylimidazol-2-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-3-(2-fluorophenyl)propan-2-one;1-[3-fluoro-4-[2-[5-[(2-methoxyethylamino)methyl]-1-methylimidazol-2-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-3-[2-fluoro-5-(trifluoromethyl)phenyl]propan-2-one;1-[3-fluoro-4-[2-[5-(propylaminomethyl)-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-3-[3-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]propan-2-one?
1-[3-(1-aminoethenyl)phenyl]-3-[3-fluoro-4-[2-[5-[(2-methoxyethylamino)methyl]-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one;1-cyclopropyl-3-[3-fluoro-4-[2-[5-[(2-methoxyethylamino)methyl]-1-methylimidazol-2-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one;1-[3-fluoro-4-[2-[5-[(2-methoxyethylamino)methyl]-1-methylimidazol-2-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-3-(2-fluorophenyl)propan-2-one;1-[3-fluoro-4-[2-[5-[(2-methoxyethylamino)methyl]-1-methylimidazol-2-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-3-[2-fluoro-5-(trifluoromethyl)phenyl]propan-2-one;1-[3-fluoro-4-[2-[5-(propylaminomethyl)-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-3-[3-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]propan-2-one has a molecular weight of 2886.37 g/mol, XLogP of 31.17, 61 rotatable bonds, 6 hydrogen bond donors, and 39 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1-aminoethenyl)phenyl]-3-[3-fluoro-4-[2-[5-[(2-methoxyethylamino)methyl]-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one;1-cyclopropyl-3-[3-fluoro-4-[2-[5-[(2-methoxyethylamino)methyl]-1-methylimidazol-2-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one;1-[3-fluoro-4-[2-[5-[(2-methoxyethylamino)methyl]-1-methylimidazol-2-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-3-(2-fluorophenyl)propan-2-one;1-[3-fluoro-4-[2-[5-[(2-methoxyethylamino)methyl]-1-methylimidazol-2-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-3-[2-fluoro-5-(trifluoromethyl)phenyl]propan-2-one;1-[3-fluoro-4-[2-[5-(propylaminomethyl)-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-3-[3-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]propan-2-one is sourced from PubChem (CID 158019131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).