About 2-(2-aminoethoxy)ethyl N-[2-(diethylamino)ethyl]-N-[5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl]carbamate;2-[5-[2-[3-[2-[5-[2-[2-[ethyl(methyl)amino]ethyl-[5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl]carbamoyl]oxyethoxy]-2-oxopentoxy]ethoxy]-2,2-bis[2-[5-[2-[2-[ethyl(methyl)amino]ethyl-[5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl]carbamoyl]oxyethoxy]-2-oxopentoxy]ethoxymethyl]propoxy]ethoxy]-4-oxopentoxy]ethyl N-[2-(diethylamino)ethyl]-N-[5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl]carbamate;methane;2-[6-(2-methoxyethoxy)-4-oxohexoxy]ethyl N-[2-(diethylamino)ethyl]-N-[5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl]carbamate
2-(2-aminoethoxy)ethyl N-[2-(diethylamino)ethyl]-N-[5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl]carbamate;2-[5-[2-[3-[2-[5-[2-[2-[ethyl(methyl)amino]ethyl-[5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl]carbamoyl]oxyethoxy]-2-oxopentoxy]ethoxy]-2,2-bis[2-[5-[2-[2-[ethyl(methyl)amino]ethyl-[5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl]carbamoyl]oxyethoxy]-2-oxopentoxy]ethoxymethyl]propoxy]ethoxy]-4-oxopentoxy]ethyl N-[2-(diethylamino)ethyl]-N-[5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl]carbamate;methane;2-[6-(2-methoxyethoxy)-4-oxohexoxy]ethyl N-[2-(diethylamino)ethyl]-N-[5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl]carbamate (PubChem CID 160564001) has the molecular formula C192H257F6N25O45
and a molecular weight of 3749.29 g/mol. Its IUPAC name is 2-(2-aminoethoxy)ethyl N-[2-(diethylamino)ethyl]-N-[5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl]carbamate;2-[5-[2-[3-[2-[5-[2-[2-[ethyl(methyl)amino]ethyl-[5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl]carbamoyl]oxyethoxy]-2-oxopentoxy]ethoxy]-2,2-bis[2-[5-[2-[2-[ethyl(methyl)amino]ethyl-[5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl]carbamoyl]oxyethoxy]-2-oxopentoxy]ethoxymethyl]propoxy]ethoxy]-4-oxopentoxy]ethyl N-[2-(diethylamino)ethyl]-N-[5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl]carbamate;methane;2-[6-(2-methoxyethoxy)-4-oxohexoxy]ethyl N-[2-(diethylamino)ethyl]-N-[5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl]carbamate.
Frequently Asked Questions
What is the IUPAC name of 2-(2-aminoethoxy)ethyl N-[2-(diethylamino)ethyl]-N-[5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl]carbamate;2-[5-[2-[3-[2-[5-[2-[2-[ethyl(methyl)amino]ethyl-[5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl]carbamoyl]oxyethoxy]-2-oxopentoxy]ethoxy]-2,2-bis[2-[5-[2-[2-[ethyl(methyl)amino]ethyl-[5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl]carbamoyl]oxyethoxy]-2-oxopentoxy]ethoxymethyl]propoxy]ethoxy]-4-oxopentoxy]ethyl N-[2-(diethylamino)ethyl]-N-[5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl]carbamate;methane;2-[6-(2-methoxyethoxy)-4-oxohexoxy]ethyl N-[2-(diethylamino)ethyl]-N-[5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl]carbamate?
The IUPAC name of 2-(2-aminoethoxy)ethyl N-[2-(diethylamino)ethyl]-N-[5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl]carbamate;2-[5-[2-[3-[2-[5-[2-[2-[ethyl(methyl)amino]ethyl-[5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl]carbamoyl]oxyethoxy]-2-oxopentoxy]ethoxy]-2,2-bis[2-[5-[2-[2-[ethyl(methyl)amino]ethyl-[5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl]carbamoyl]oxyethoxy]-2-oxopentoxy]ethoxymethyl]propoxy]ethoxy]-4-oxopentoxy]ethyl N-[2-(diethylamino)ethyl]-N-[5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl]carbamate;methane;2-[6-(2-methoxyethoxy)-4-oxohexoxy]ethyl N-[2-(diethylamino)ethyl]-N-[5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl]carbamate (CID 160564001) is 2-(2-aminoethoxy)ethyl N-[2-(diethylamino)ethyl]-N-[5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl]carbamate;2-[5-[2-[3-[2-[5-[2-[2-[ethyl(methyl)amino]ethyl-[5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl]carbamoyl]oxyethoxy]-2-oxopentoxy]ethoxy]-2,2-bis[2-[5-[2-[2-[ethyl(methyl)amino]ethyl-[5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl]carbamoyl]oxyethoxy]-2-oxopentoxy]ethoxymethyl]propoxy]ethoxy]-4-oxopentoxy]ethyl N-[2-(diethylamino)ethyl]-N-[5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl]carbamate;methane;2-[6-(2-methoxyethoxy)-4-oxohexoxy]ethyl N-[2-(diethylamino)ethyl]-N-[5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl]carbamate.
What is the SMILES notation for 2-(2-aminoethoxy)ethyl N-[2-(diethylamino)ethyl]-N-[5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl]carbamate;2-[5-[2-[3-[2-[5-[2-[2-[ethyl(methyl)amino]ethyl-[5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl]carbamoyl]oxyethoxy]-2-oxopentoxy]ethoxy]-2,2-bis[2-[5-[2-[2-[ethyl(methyl)amino]ethyl-[5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl]carbamoyl]oxyethoxy]-2-oxopentoxy]ethoxymethyl]propoxy]ethoxy]-4-oxopentoxy]ethyl N-[2-(diethylamino)ethyl]-N-[5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl]carbamate;methane;2-[6-(2-methoxyethoxy)-4-oxohexoxy]ethyl N-[2-(diethylamino)ethyl]-N-[5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl]carbamate?
The canonical SMILES for 2-(2-aminoethoxy)ethyl N-[2-(diethylamino)ethyl]-N-[5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl]carbamate;2-[5-[2-[3-[2-[5-[2-[2-[ethyl(methyl)amino]ethyl-[5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl]carbamoyl]oxyethoxy]-2-oxopentoxy]ethoxy]-2,2-bis[2-[5-[2-[2-[ethyl(methyl)amino]ethyl-[5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl]carbamoyl]oxyethoxy]-2-oxopentoxy]ethoxymethyl]propoxy]ethoxy]-4-oxopentoxy]ethyl N-[2-(diethylamino)ethyl]-N-[5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl]carbamate;methane;2-[6-(2-methoxyethoxy)-4-oxohexoxy]ethyl N-[2-(diethylamino)ethyl]-N-[5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl]carbamate is C.CCN(C)CCN(C(=O)OCCOCCCC(=O)COCCOCC(COCCOCC(=O)CCCOCCOC(=O)N(CCN(C)CC)C(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(F)cc32)c1C)(COCCOCC(=O)CCCOCCOC(=O)N(CCN(C)CC)C(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(F)cc32)c1C)COCCOCC(=O)CCCOCCOC(=O)N(CCN(CC)CC)C(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(F)cc32)c1C)C(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(F)cc32)c1C.CCN(CC)CCN(C(=O)OCCOCCCC(=O)CCOCCOC)C(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(F)cc32)c1C.CCN(CC)CCN(C(=O)OCCOCCN)C(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(F)cc32)c1C.
What is the InChIKey of 2-(2-aminoethoxy)ethyl N-[2-(diethylamino)ethyl]-N-[5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl]carbamate;2-[5-[2-[3-[2-[5-[2-[2-[ethyl(methyl)amino]ethyl-[5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl]carbamoyl]oxyethoxy]-2-oxopentoxy]ethoxy]-2,2-bis[2-[5-[2-[2-[ethyl(methyl)amino]ethyl-[5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl]carbamoyl]oxyethoxy]-2-oxopentoxy]ethoxymethyl]propoxy]ethoxy]-4-oxopentoxy]ethyl N-[2-(diethylamino)ethyl]-N-[5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl]carbamate;methane;2-[6-(2-methoxyethoxy)-4-oxohexoxy]ethyl N-[2-(diethylamino)ethyl]-N-[5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl]carbamate?
The InChIKey is QZRMKMOMEKRYTK-NQOGWQDOSA-N. The full InChI is InChI=1S/C130H170F4N16O32.C34H47FN4O8.C27H36FN5O5.CH4/c1-17-143(14)38-42-147(122(159)114-82(6)110(135-86(114)10)70-102-98-66-90(131)30-34-106(98)139-118(102)155)126(163)179-62-58-167-46-22-26-94(151)74-171-50-54-175-78-130(79-176-55-51-172-75-95(152)27-23-47-168-59-63-180-127(164)148(43-39-144(15)18-2)123(160)115-83(7)111(136-87(115)11)71-103-99-67-91(132)31-35-107(99)140-119(103)156,80-177-56-52-173-76-96(153)28-24-48-169-60-64-181-128(165)149(44-40-145(16)19-3)124(161)116-84(8)112(137-88(116)12)72-104-100-68-92(133)32-36-108(100)141-120(104)157)81-178-57-53-174-77-97(154)29-25-49-170-61-65-182-129(166)150(45-41-146(20-4)21-5)125(162)117-85(9)113(138-89(117)13)73-105-101-69-93(134)33-37-109(101)142-121(105)158;1-6-38(7-2)13-14-39(34(43)47-20-19-45-15-8-9-26(40)12-16-46-18-17-44-5)33(42)31-23(3)30(36-24(31)4)22-28-27-21-25(35)10-11-29(27)37-32(28)41;1-5-32(6-2)10-11-33(27(36)38-14-13-37-12-9-29)26(35)24-17(3)23(30-18(24)4)16-21-20-15-19(28)7-8-22(20)31-25(21)34;/h30-37,66-73,135-138H,17-29,38-65,74-81H2,1-16H3,(H,139,155)(H,140,156)(H,141,157)(H,142,158);10-11,21-22,36H,6-9,12-20H2,1-5H3,(H,37,41);7-8,15-16,30H,5-6,9-14,29H2,1-4H3,(H,31,34);1H4/b102-70-,103-71-,104-72-,105-73-;28-22-;21-16-;.
What are the key properties of 2-(2-aminoethoxy)ethyl N-[2-(diethylamino)ethyl]-N-[5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl]carbamate;2-[5-[2-[3-[2-[5-[2-[2-[ethyl(methyl)amino]ethyl-[5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl]carbamoyl]oxyethoxy]-2-oxopentoxy]ethoxy]-2,2-bis[2-[5-[2-[2-[ethyl(methyl)amino]ethyl-[5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl]carbamoyl]oxyethoxy]-2-oxopentoxy]ethoxymethyl]propoxy]ethoxy]-4-oxopentoxy]ethyl N-[2-(diethylamino)ethyl]-N-[5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl]carbamate;methane;2-[6-(2-methoxyethoxy)-4-oxohexoxy]ethyl N-[2-(diethylamino)ethyl]-N-[5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl]carbamate?
2-(2-aminoethoxy)ethyl N-[2-(diethylamino)ethyl]-N-[5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl]carbamate;2-[5-[2-[3-[2-[5-[2-[2-[ethyl(methyl)amino]ethyl-[5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl]carbamoyl]oxyethoxy]-2-oxopentoxy]ethoxy]-2,2-bis[2-[5-[2-[2-[ethyl(methyl)amino]ethyl-[5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl]carbamoyl]oxyethoxy]-2-oxopentoxy]ethoxymethyl]propoxy]ethoxy]-4-oxopentoxy]ethyl N-[2-(diethylamino)ethyl]-N-[5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl]carbamate;methane;2-[6-(2-methoxyethoxy)-4-oxohexoxy]ethyl N-[2-(diethylamino)ethyl]-N-[5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl]carbamate has a molecular weight of 3749.29 g/mol, XLogP of 23.59, 113 rotatable bonds, 13 hydrogen bond donors, and 52 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethoxy)ethyl N-[2-(diethylamino)ethyl]-N-[5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl]carbamate;2-[5-[2-[3-[2-[5-[2-[2-[ethyl(methyl)amino]ethyl-[5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl]carbamoyl]oxyethoxy]-2-oxopentoxy]ethoxy]-2,2-bis[2-[5-[2-[2-[ethyl(methyl)amino]ethyl-[5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl]carbamoyl]oxyethoxy]-2-oxopentoxy]ethoxymethyl]propoxy]ethoxy]-4-oxopentoxy]ethyl N-[2-(diethylamino)ethyl]-N-[5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl]carbamate;methane;2-[6-(2-methoxyethoxy)-4-oxohexoxy]ethyl N-[2-(diethylamino)ethyl]-N-[5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl]carbamate is sourced from PubChem (CID 160564001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).