About lithium;2-[2-[[4-[2-(aminomethyl)-4-pyridinyl]-1-propan-2-ylindol-6-yl]methoxy]-4-methoxyphenyl]acetic acid;2-[2-[(S)-tert-butylsulfinyl]ethyl]-4-chloropyridine;ethyl 2-[2-[[4-[2-(aminomethyl)-4-pyridinyl]-1-propan-2-ylindol-6-yl]methoxy]-4-methoxyphenyl]acetate;ethyl 2-[2-[(4-bromo-1-propan-2-ylindol-6-yl)methoxy]-4-methoxyphenyl]acetate;ethyl 2-[2-[[4-[2-[2-[(S)-tert-butylsulfinyl]ethyl]-4-pyridinyl]-1-propan-2-ylindol-6-yl]methoxy]-4-methoxyphenyl]acetate;ethyl 2-[4-methoxy-2-[[1-propan-2-yl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indol-6-yl]methoxy]phenyl]acetate;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;hydroxide;hydrochloride
lithium;2-[2-[[4-[2-(aminomethyl)-4-pyridinyl]-1-propan-2-ylindol-6-yl]methoxy]-4-methoxyphenyl]acetic acid;2-[2-[(S)-tert-butylsulfinyl]ethyl]-4-chloropyridine;ethyl 2-[2-[[4-[2-(aminomethyl)-4-pyridinyl]-1-propan-2-ylindol-6-yl]methoxy]-4-methoxyphenyl]acetate;ethyl 2-[2-[(4-bromo-1-propan-2-ylindol-6-yl)methoxy]-4-methoxyphenyl]acetate;ethyl 2-[2-[[4-[2-[2-[(S)-tert-butylsulfinyl]ethyl]-4-pyridinyl]-1-propan-2-ylindol-6-yl]methoxy]-4-methoxyphenyl]acetate;ethyl 2-[4-methoxy-2-[[1-propan-2-yl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indol-6-yl]methoxy]phenyl]acetate;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;hydroxide;hydrochloride (PubChem CID 158953410) has the molecular formula C165H210B3BrCl2LiN11O29S2
and a molecular weight of 3065.86 g/mol. Its IUPAC name is lithium;2-[2-[[4-[2-(aminomethyl)-4-pyridinyl]-1-propan-2-ylindol-6-yl]methoxy]-4-methoxyphenyl]acetic acid;2-[2-[(S)-tert-butylsulfinyl]ethyl]-4-chloropyridine;ethyl 2-[2-[[4-[2-(aminomethyl)-4-pyridinyl]-1-propan-2-ylindol-6-yl]methoxy]-4-methoxyphenyl]acetate;ethyl 2-[2-[(4-bromo-1-propan-2-ylindol-6-yl)methoxy]-4-methoxyphenyl]acetate;ethyl 2-[2-[[4-[2-[2-[(S)-tert-butylsulfinyl]ethyl]-4-pyridinyl]-1-propan-2-ylindol-6-yl]methoxy]-4-methoxyphenyl]acetate;ethyl 2-[4-methoxy-2-[[1-propan-2-yl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indol-6-yl]methoxy]phenyl]acetate;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;hydroxide;hydrochloride.
Frequently Asked Questions
What is the IUPAC name of lithium;2-[2-[[4-[2-(aminomethyl)-4-pyridinyl]-1-propan-2-ylindol-6-yl]methoxy]-4-methoxyphenyl]acetic acid;2-[2-[(S)-tert-butylsulfinyl]ethyl]-4-chloropyridine;ethyl 2-[2-[[4-[2-(aminomethyl)-4-pyridinyl]-1-propan-2-ylindol-6-yl]methoxy]-4-methoxyphenyl]acetate;ethyl 2-[2-[(4-bromo-1-propan-2-ylindol-6-yl)methoxy]-4-methoxyphenyl]acetate;ethyl 2-[2-[[4-[2-[2-[(S)-tert-butylsulfinyl]ethyl]-4-pyridinyl]-1-propan-2-ylindol-6-yl]methoxy]-4-methoxyphenyl]acetate;ethyl 2-[4-methoxy-2-[[1-propan-2-yl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indol-6-yl]methoxy]phenyl]acetate;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;hydroxide;hydrochloride?
The IUPAC name of lithium;2-[2-[[4-[2-(aminomethyl)-4-pyridinyl]-1-propan-2-ylindol-6-yl]methoxy]-4-methoxyphenyl]acetic acid;2-[2-[(S)-tert-butylsulfinyl]ethyl]-4-chloropyridine;ethyl 2-[2-[[4-[2-(aminomethyl)-4-pyridinyl]-1-propan-2-ylindol-6-yl]methoxy]-4-methoxyphenyl]acetate;ethyl 2-[2-[(4-bromo-1-propan-2-ylindol-6-yl)methoxy]-4-methoxyphenyl]acetate;ethyl 2-[2-[[4-[2-[2-[(S)-tert-butylsulfinyl]ethyl]-4-pyridinyl]-1-propan-2-ylindol-6-yl]methoxy]-4-methoxyphenyl]acetate;ethyl 2-[4-methoxy-2-[[1-propan-2-yl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indol-6-yl]methoxy]phenyl]acetate;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;hydroxide;hydrochloride (CID 158953410) is lithium;2-[2-[[4-[2-(aminomethyl)-4-pyridinyl]-1-propan-2-ylindol-6-yl]methoxy]-4-methoxyphenyl]acetic acid;2-[2-[(S)-tert-butylsulfinyl]ethyl]-4-chloropyridine;ethyl 2-[2-[[4-[2-(aminomethyl)-4-pyridinyl]-1-propan-2-ylindol-6-yl]methoxy]-4-methoxyphenyl]acetate;ethyl 2-[2-[(4-bromo-1-propan-2-ylindol-6-yl)methoxy]-4-methoxyphenyl]acetate;ethyl 2-[2-[[4-[2-[2-[(S)-tert-butylsulfinyl]ethyl]-4-pyridinyl]-1-propan-2-ylindol-6-yl]methoxy]-4-methoxyphenyl]acetate;ethyl 2-[4-methoxy-2-[[1-propan-2-yl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indol-6-yl]methoxy]phenyl]acetate;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;hydroxide;hydrochloride.
What is the SMILES notation for lithium;2-[2-[[4-[2-(aminomethyl)-4-pyridinyl]-1-propan-2-ylindol-6-yl]methoxy]-4-methoxyphenyl]acetic acid;2-[2-[(S)-tert-butylsulfinyl]ethyl]-4-chloropyridine;ethyl 2-[2-[[4-[2-(aminomethyl)-4-pyridinyl]-1-propan-2-ylindol-6-yl]methoxy]-4-methoxyphenyl]acetate;ethyl 2-[2-[(4-bromo-1-propan-2-ylindol-6-yl)methoxy]-4-methoxyphenyl]acetate;ethyl 2-[2-[[4-[2-[2-[(S)-tert-butylsulfinyl]ethyl]-4-pyridinyl]-1-propan-2-ylindol-6-yl]methoxy]-4-methoxyphenyl]acetate;ethyl 2-[4-methoxy-2-[[1-propan-2-yl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indol-6-yl]methoxy]phenyl]acetate;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;hydroxide;hydrochloride?
The canonical SMILES for lithium;2-[2-[[4-[2-(aminomethyl)-4-pyridinyl]-1-propan-2-ylindol-6-yl]methoxy]-4-methoxyphenyl]acetic acid;2-[2-[(S)-tert-butylsulfinyl]ethyl]-4-chloropyridine;ethyl 2-[2-[[4-[2-(aminomethyl)-4-pyridinyl]-1-propan-2-ylindol-6-yl]methoxy]-4-methoxyphenyl]acetate;ethyl 2-[2-[(4-bromo-1-propan-2-ylindol-6-yl)methoxy]-4-methoxyphenyl]acetate;ethyl 2-[2-[[4-[2-[2-[(S)-tert-butylsulfinyl]ethyl]-4-pyridinyl]-1-propan-2-ylindol-6-yl]methoxy]-4-methoxyphenyl]acetate;ethyl 2-[4-methoxy-2-[[1-propan-2-yl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indol-6-yl]methoxy]phenyl]acetate;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;hydroxide;hydrochloride is CC(C)(C)[S@@](=O)CCc1cc(Cl)ccn1.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CCOC(=O)Cc1ccc(OC)cc1OCc1cc(-c2ccnc(CC[S@](=O)C(C)(C)C)c2)c2ccn(C(C)C)c2c1.CCOC(=O)Cc1ccc(OC)cc1OCc1cc(-c2ccnc(CN)c2)c2ccn(C(C)C)c2c1.CCOC(=O)Cc1ccc(OC)cc1OCc1cc(B2OC(C)(C)C(C)(C)O2)c2ccn(C(C)C)c2c1.CCOC(=O)Cc1ccc(OC)cc1OCc1cc(Br)c2ccn(C(C)C)c2c1.COc1ccc(CC(=O)O)c(OCc2cc(-c3ccnc(CN)c3)c3ccn(C(C)C)c3c2)c1.Cl.[Li+].[OH-].
What is the InChIKey of lithium;2-[2-[[4-[2-(aminomethyl)-4-pyridinyl]-1-propan-2-ylindol-6-yl]methoxy]-4-methoxyphenyl]acetic acid;2-[2-[(S)-tert-butylsulfinyl]ethyl]-4-chloropyridine;ethyl 2-[2-[[4-[2-(aminomethyl)-4-pyridinyl]-1-propan-2-ylindol-6-yl]methoxy]-4-methoxyphenyl]acetate;ethyl 2-[2-[(4-bromo-1-propan-2-ylindol-6-yl)methoxy]-4-methoxyphenyl]acetate;ethyl 2-[2-[[4-[2-[2-[(S)-tert-butylsulfinyl]ethyl]-4-pyridinyl]-1-propan-2-ylindol-6-yl]methoxy]-4-methoxyphenyl]acetate;ethyl 2-[4-methoxy-2-[[1-propan-2-yl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indol-6-yl]methoxy]phenyl]acetate;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;hydroxide;hydrochloride?
The InChIKey is JNCSBJAHNBHYKY-BTCJEPPLSA-M. The full InChI is InChI=1S/C34H42N2O5S.C29H38BNO6.C29H33N3O4.C27H29N3O4.C23H26BrNO4.C12H24B2O4.C11H16ClNOS.ClH.Li.H2O/c1-8-40-33(37)20-26-9-10-28(39-7)21-32(26)41-22-24-17-30(29-12-15-36(23(2)3)31(29)18-24)25-11-14-35-27(19-25)13-16-42(38)34(4,5)6;1-9-34-27(32)16-21-10-11-22(33-8)17-26(21)35-18-20-14-24(30-36-28(4,5)29(6,7)37-30)23-12-13-31(19(2)3)25(23)15-20;1-5-35-29(33)15-22-6-7-24(34-4)16-28(22)36-18-20-12-26(21-8-10-31-23(14-21)17-30)25-9-11-32(19(2)3)27(25)13-20;1-17(2)30-9-7-23-24(19-6-8-29-21(12-19)15-28)10-18(11-25(23)30)16-34-26-14-22(33-3)5-4-20(26)13-27(31)32;1-5-28-23(26)12-17-6-7-18(27-4)13-22(17)29-14-16-10-20(24)19-8-9-25(15(2)3)21(19)11-16;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;1-11(2,3)15(14)7-5-10-8-9(12)4-6-13-10;;;/h9-12,14-15,17-19,21,23H,8,13,16,20,22H2,1-7H3;10-15,17,19H,9,16,18H2,1-8H3;6-14,16,19H,5,15,17-18,30H2,1-4H3;4-12,14,17H,13,15-16,28H2,1-3H3,(H,31,32);6-11,13,15H,5,12,14H2,1-4H3;1-8H3;4,6,8H,5,7H2,1-3H3;1H;;1H2/q;;;;;;;;+1;/p-1/t42-;;;;;;15-;;;/m0.....0.../s1.
What are the key properties of lithium;2-[2-[[4-[2-(aminomethyl)-4-pyridinyl]-1-propan-2-ylindol-6-yl]methoxy]-4-methoxyphenyl]acetic acid;2-[2-[(S)-tert-butylsulfinyl]ethyl]-4-chloropyridine;ethyl 2-[2-[[4-[2-(aminomethyl)-4-pyridinyl]-1-propan-2-ylindol-6-yl]methoxy]-4-methoxyphenyl]acetate;ethyl 2-[2-[(4-bromo-1-propan-2-ylindol-6-yl)methoxy]-4-methoxyphenyl]acetate;ethyl 2-[2-[[4-[2-[2-[(S)-tert-butylsulfinyl]ethyl]-4-pyridinyl]-1-propan-2-ylindol-6-yl]methoxy]-4-methoxyphenyl]acetate;ethyl 2-[4-methoxy-2-[[1-propan-2-yl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indol-6-yl]methoxy]phenyl]acetate;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;hydroxide;hydrochloride?
lithium;2-[2-[[4-[2-(aminomethyl)-4-pyridinyl]-1-propan-2-ylindol-6-yl]methoxy]-4-methoxyphenyl]acetic acid;2-[2-[(S)-tert-butylsulfinyl]ethyl]-4-chloropyridine;ethyl 2-[2-[[4-[2-(aminomethyl)-4-pyridinyl]-1-propan-2-ylindol-6-yl]methoxy]-4-methoxyphenyl]acetate;ethyl 2-[2-[(4-bromo-1-propan-2-ylindol-6-yl)methoxy]-4-methoxyphenyl]acetate;ethyl 2-[2-[[4-[2-[2-[(S)-tert-butylsulfinyl]ethyl]-4-pyridinyl]-1-propan-2-ylindol-6-yl]methoxy]-4-methoxyphenyl]acetate;ethyl 2-[4-methoxy-2-[[1-propan-2-yl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indol-6-yl]methoxy]phenyl]acetate;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;hydroxide;hydrochloride has a molecular weight of 3065.86 g/mol, XLogP of 30.68, 52 rotatable bonds, 3 hydrogen bond donors, and 39 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;2-[2-[[4-[2-(aminomethyl)-4-pyridinyl]-1-propan-2-ylindol-6-yl]methoxy]-4-methoxyphenyl]acetic acid;2-[2-[(S)-tert-butylsulfinyl]ethyl]-4-chloropyridine;ethyl 2-[2-[[4-[2-(aminomethyl)-4-pyridinyl]-1-propan-2-ylindol-6-yl]methoxy]-4-methoxyphenyl]acetate;ethyl 2-[2-[(4-bromo-1-propan-2-ylindol-6-yl)methoxy]-4-methoxyphenyl]acetate;ethyl 2-[2-[[4-[2-[2-[(S)-tert-butylsulfinyl]ethyl]-4-pyridinyl]-1-propan-2-ylindol-6-yl]methoxy]-4-methoxyphenyl]acetate;ethyl 2-[4-methoxy-2-[[1-propan-2-yl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indol-6-yl]methoxy]phenyl]acetate;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;hydroxide;hydrochloride is sourced from PubChem (CID 158953410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).