About 2-(dimethylamino)ethyl 2-[4-[(Z)-[5-fluoro-2-methyl-3-[2-oxo-2-(pyridin-2-ylmethylamino)ethyl]inden-1-ylidene]methyl]-2,6-dimethoxyphenoxy]acetate;2-(dimethylamino)ethyl 2-[4-[(Z)-[5-fluoro-2-methyl-3-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]inden-1-ylidene]methyl]-2,6-dimethoxyphenoxy]acetate;2-(dimethylamino)ethyl 3-[4-[(Z)-[5-fluoro-2-methyl-3-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]inden-1-ylidene]methyl]-2,6-dimethoxyphenoxy]propanoate;2-[4-[(Z)-[5-fluoro-2-methyl-3-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]inden-1-ylidene]methyl]-2,6-dimethoxyphenoxy]ethylboronic acid
2-(dimethylamino)ethyl 2-[4-[(Z)-[5-fluoro-2-methyl-3-[2-oxo-2-(pyridin-2-ylmethylamino)ethyl]inden-1-ylidene]methyl]-2,6-dimethoxyphenoxy]acetate;2-(dimethylamino)ethyl 2-[4-[(Z)-[5-fluoro-2-methyl-3-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]inden-1-ylidene]methyl]-2,6-dimethoxyphenoxy]acetate;2-(dimethylamino)ethyl 3-[4-[(Z)-[5-fluoro-2-methyl-3-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]inden-1-ylidene]methyl]-2,6-dimethoxyphenoxy]propanoate;2-[4-[(Z)-[5-fluoro-2-methyl-3-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]inden-1-ylidene]methyl]-2,6-dimethoxyphenoxy]ethylboronic acid (PubChem CID 160703076) has the molecular formula C129H140BF4N11O24
and a molecular weight of 2315.40 g/mol. Its IUPAC name is 2-(dimethylamino)ethyl 2-[4-[(Z)-[5-fluoro-2-methyl-3-[2-oxo-2-(pyridin-2-ylmethylamino)ethyl]inden-1-ylidene]methyl]-2,6-dimethoxyphenoxy]acetate;2-(dimethylamino)ethyl 2-[4-[(Z)-[5-fluoro-2-methyl-3-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]inden-1-ylidene]methyl]-2,6-dimethoxyphenoxy]acetate;2-(dimethylamino)ethyl 3-[4-[(Z)-[5-fluoro-2-methyl-3-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]inden-1-ylidene]methyl]-2,6-dimethoxyphenoxy]propanoate;2-[4-[(Z)-[5-fluoro-2-methyl-3-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]inden-1-ylidene]methyl]-2,6-dimethoxyphenoxy]ethylboronic acid.
Frequently Asked Questions
What is the IUPAC name of 2-(dimethylamino)ethyl 2-[4-[(Z)-[5-fluoro-2-methyl-3-[2-oxo-2-(pyridin-2-ylmethylamino)ethyl]inden-1-ylidene]methyl]-2,6-dimethoxyphenoxy]acetate;2-(dimethylamino)ethyl 2-[4-[(Z)-[5-fluoro-2-methyl-3-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]inden-1-ylidene]methyl]-2,6-dimethoxyphenoxy]acetate;2-(dimethylamino)ethyl 3-[4-[(Z)-[5-fluoro-2-methyl-3-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]inden-1-ylidene]methyl]-2,6-dimethoxyphenoxy]propanoate;2-[4-[(Z)-[5-fluoro-2-methyl-3-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]inden-1-ylidene]methyl]-2,6-dimethoxyphenoxy]ethylboronic acid?
The IUPAC name of 2-(dimethylamino)ethyl 2-[4-[(Z)-[5-fluoro-2-methyl-3-[2-oxo-2-(pyridin-2-ylmethylamino)ethyl]inden-1-ylidene]methyl]-2,6-dimethoxyphenoxy]acetate;2-(dimethylamino)ethyl 2-[4-[(Z)-[5-fluoro-2-methyl-3-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]inden-1-ylidene]methyl]-2,6-dimethoxyphenoxy]acetate;2-(dimethylamino)ethyl 3-[4-[(Z)-[5-fluoro-2-methyl-3-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]inden-1-ylidene]methyl]-2,6-dimethoxyphenoxy]propanoate;2-[4-[(Z)-[5-fluoro-2-methyl-3-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]inden-1-ylidene]methyl]-2,6-dimethoxyphenoxy]ethylboronic acid (CID 160703076) is 2-(dimethylamino)ethyl 2-[4-[(Z)-[5-fluoro-2-methyl-3-[2-oxo-2-(pyridin-2-ylmethylamino)ethyl]inden-1-ylidene]methyl]-2,6-dimethoxyphenoxy]acetate;2-(dimethylamino)ethyl 2-[4-[(Z)-[5-fluoro-2-methyl-3-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]inden-1-ylidene]methyl]-2,6-dimethoxyphenoxy]acetate;2-(dimethylamino)ethyl 3-[4-[(Z)-[5-fluoro-2-methyl-3-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]inden-1-ylidene]methyl]-2,6-dimethoxyphenoxy]propanoate;2-[4-[(Z)-[5-fluoro-2-methyl-3-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]inden-1-ylidene]methyl]-2,6-dimethoxyphenoxy]ethylboronic acid.
What is the SMILES notation for 2-(dimethylamino)ethyl 2-[4-[(Z)-[5-fluoro-2-methyl-3-[2-oxo-2-(pyridin-2-ylmethylamino)ethyl]inden-1-ylidene]methyl]-2,6-dimethoxyphenoxy]acetate;2-(dimethylamino)ethyl 2-[4-[(Z)-[5-fluoro-2-methyl-3-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]inden-1-ylidene]methyl]-2,6-dimethoxyphenoxy]acetate;2-(dimethylamino)ethyl 3-[4-[(Z)-[5-fluoro-2-methyl-3-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]inden-1-ylidene]methyl]-2,6-dimethoxyphenoxy]propanoate;2-[4-[(Z)-[5-fluoro-2-methyl-3-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]inden-1-ylidene]methyl]-2,6-dimethoxyphenoxy]ethylboronic acid?
The canonical SMILES for 2-(dimethylamino)ethyl 2-[4-[(Z)-[5-fluoro-2-methyl-3-[2-oxo-2-(pyridin-2-ylmethylamino)ethyl]inden-1-ylidene]methyl]-2,6-dimethoxyphenoxy]acetate;2-(dimethylamino)ethyl 2-[4-[(Z)-[5-fluoro-2-methyl-3-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]inden-1-ylidene]methyl]-2,6-dimethoxyphenoxy]acetate;2-(dimethylamino)ethyl 3-[4-[(Z)-[5-fluoro-2-methyl-3-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]inden-1-ylidene]methyl]-2,6-dimethoxyphenoxy]propanoate;2-[4-[(Z)-[5-fluoro-2-methyl-3-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]inden-1-ylidene]methyl]-2,6-dimethoxyphenoxy]ethylboronic acid is COc1cc(/C=C2/C(C)=C(CC(=O)NCc3ccccn3)c3cc(F)ccc32)cc(OC)c1OCC(=O)OCCN(C)C.COc1cc(/C=C2/C(C)=C(CC(=O)NCc3cccnc3)c3cc(F)ccc32)cc(OC)c1OCC(=O)OCCN(C)C.COc1cc(/C=C2/C(C)=C(CC(=O)NCc3cccnc3)c3cc(F)ccc32)cc(OC)c1OCCB(O)O.COc1cc(/C=C2/C(C)=C(CC(=O)NCc3cccnc3)c3cc(F)ccc32)cc(OC)c1OCCC(=O)OCCN(C)C.
What is the InChIKey of 2-(dimethylamino)ethyl 2-[4-[(Z)-[5-fluoro-2-methyl-3-[2-oxo-2-(pyridin-2-ylmethylamino)ethyl]inden-1-ylidene]methyl]-2,6-dimethoxyphenoxy]acetate;2-(dimethylamino)ethyl 2-[4-[(Z)-[5-fluoro-2-methyl-3-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]inden-1-ylidene]methyl]-2,6-dimethoxyphenoxy]acetate;2-(dimethylamino)ethyl 3-[4-[(Z)-[5-fluoro-2-methyl-3-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]inden-1-ylidene]methyl]-2,6-dimethoxyphenoxy]propanoate;2-[4-[(Z)-[5-fluoro-2-methyl-3-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]inden-1-ylidene]methyl]-2,6-dimethoxyphenoxy]ethylboronic acid?
The InChIKey is RQWKBJWQMKYTMM-BYOXTZLASA-N. The full InChI is InChI=1S/C34H38FN3O6.2C33H36FN3O6.C29H30BFN2O6/c1-22-27(26-9-8-25(35)18-29(26)28(22)19-32(39)37-21-23-7-6-11-36-20-23)15-24-16-30(41-4)34(31(17-24)42-5)44-13-10-33(40)43-14-12-38(2)3;1-21-26(13-23-14-29(40-4)33(30(15-23)41-5)43-20-32(39)42-12-11-37(2)3)25-9-8-24(34)16-28(25)27(21)17-31(38)36-19-22-7-6-10-35-18-22;1-21-26(14-22-15-29(40-4)33(30(16-22)41-5)43-20-32(39)42-13-12-37(2)3)25-10-9-23(34)17-28(25)27(21)18-31(38)36-19-24-8-6-7-11-35-24;1-18-23(11-20-12-26(37-2)29(27(13-20)38-3)39-10-8-30(35)36)22-7-6-21(31)14-25(22)24(18)15-28(34)33-17-19-5-4-9-32-16-19/h6-9,11,15-18,20H,10,12-14,19,21H2,1-5H3,(H,37,39);6-10,13-16,18H,11-12,17,19-20H2,1-5H3,(H,36,38);6-11,14-17H,12-13,18-20H2,1-5H3,(H,36,38);4-7,9,11-14,16,35-36H,8,10,15,17H2,1-3H3,(H,33,34)/b27-15-;26-13-;26-14-;23-11-.
What are the key properties of 2-(dimethylamino)ethyl 2-[4-[(Z)-[5-fluoro-2-methyl-3-[2-oxo-2-(pyridin-2-ylmethylamino)ethyl]inden-1-ylidene]methyl]-2,6-dimethoxyphenoxy]acetate;2-(dimethylamino)ethyl 2-[4-[(Z)-[5-fluoro-2-methyl-3-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]inden-1-ylidene]methyl]-2,6-dimethoxyphenoxy]acetate;2-(dimethylamino)ethyl 3-[4-[(Z)-[5-fluoro-2-methyl-3-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]inden-1-ylidene]methyl]-2,6-dimethoxyphenoxy]propanoate;2-[4-[(Z)-[5-fluoro-2-methyl-3-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]inden-1-ylidene]methyl]-2,6-dimethoxyphenoxy]ethylboronic acid?
2-(dimethylamino)ethyl 2-[4-[(Z)-[5-fluoro-2-methyl-3-[2-oxo-2-(pyridin-2-ylmethylamino)ethyl]inden-1-ylidene]methyl]-2,6-dimethoxyphenoxy]acetate;2-(dimethylamino)ethyl 2-[4-[(Z)-[5-fluoro-2-methyl-3-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]inden-1-ylidene]methyl]-2,6-dimethoxyphenoxy]acetate;2-(dimethylamino)ethyl 3-[4-[(Z)-[5-fluoro-2-methyl-3-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]inden-1-ylidene]methyl]-2,6-dimethoxyphenoxy]propanoate;2-[4-[(Z)-[5-fluoro-2-methyl-3-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]inden-1-ylidene]methyl]-2,6-dimethoxyphenoxy]ethylboronic acid has a molecular weight of 2315.40 g/mol, XLogP of 18.78, 51 rotatable bonds, 6 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)ethyl 2-[4-[(Z)-[5-fluoro-2-methyl-3-[2-oxo-2-(pyridin-2-ylmethylamino)ethyl]inden-1-ylidene]methyl]-2,6-dimethoxyphenoxy]acetate;2-(dimethylamino)ethyl 2-[4-[(Z)-[5-fluoro-2-methyl-3-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]inden-1-ylidene]methyl]-2,6-dimethoxyphenoxy]acetate;2-(dimethylamino)ethyl 3-[4-[(Z)-[5-fluoro-2-methyl-3-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]inden-1-ylidene]methyl]-2,6-dimethoxyphenoxy]propanoate;2-[4-[(Z)-[5-fluoro-2-methyl-3-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]inden-1-ylidene]methyl]-2,6-dimethoxyphenoxy]ethylboronic acid is sourced from PubChem (CID 160703076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).