lithium;2-[2-[[4-[2-(aminomethyl)-3-fluoro-4-pyridinyl]-1-methylindol-6-yl]methoxy]-4-methylphenyl]acetic acid;2-[2-[(R)-tert-butylsulfinyl]ethyl]-4-chloro-3-fluoropyridine;ethyl 2-[2-[[4-[2-(aminomethyl)-3-fluoro-4-pyridinyl]-1-methylindol-6-yl]methoxy]-4-methylphenyl]acetate;ethyl 2-[2-[(4-bromo-1-methylindol-6-yl)methoxy]-4-methylphenyl]acetate;ethyl 2-[2-[[4-[2-[[[(S)-tert-butylsulfinyl]amino]methyl]-3-fluoro-4-pyridinyl]-1-methylindol-6-yl]methoxy]-4-methylphenyl]acetate;ethyl 2-[4-methyl-2-[[1-methyl-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

C154H185B3BrCl2F4LiN12O24S2 — CID 159218201

IUPAClithium;2-[2-[[4-[2-(aminomethyl)-3-fluoro-4-pyridinyl]-1-methylindol-6-yl]methoxy]-4-methylphenyl]acetic acid;2-[2-[(R)-tert-butylsulfinyl]ethyl]-4-chloro-3-fluoropyridine;ethyl 2-[2-[[4-[2-(aminomethyl)-3-fluoro-4-pyridinyl]-1-methylindol-6-yl]methoxy]-4-methylphenyl]acetate;ethyl 2-[2-[(4-bromo-1-methylindol-6-yl)methoxy]-4-methylphenyl]acetate;ethyl 2-[2-[[4-[2-[[[(S)-tert-butylsulfinyl]amino]methyl]-3-fluoro-4-pyridinyl]-1-methylindol-6-yl]methoxy]-4-methylphenyl]acetate;ethyl 2-[4-methyl-2-[[1-methyl-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
SMILESCC(C)(C)[S@](=O)CCc1nccc(Cl)c1F.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CCOC(=O)Cc1ccc(C)cc1OCc1cc(-c2ccnc(CN)c2F)c2ccn(C)c2c1.CCOC(=O)Cc1ccc(C)cc1OCc1cc(-c2ccnc(CN[S@@](=O)C(C)(C)C)c2F)c2ccn(C)c2c1.CCOC(=O)Cc1ccc(C)cc1OCc1cc(B2OC(C)(C)C(C)(C)O2)c2ccn(C)c2c1.CCOC(=O)Cc1ccc(C)cc1OCc1cc(Br)c2ccn(C)c2c1.Cc1ccc(CC(=O)O)c(OCc2cc(-c3ccnc(CN)c3F)c3ccn(C)c3c2)c1.Cl.[Li+].[OH-]
InChIInChI=1S/C31H36FN3O4S.C27H34BNO5.C27H28FN3O3.C25H24FN3O3.C21H22BrNO3.C12H24B2O4.C11H15ClFNOS.ClH.Li.H2O/c1-7-38-29(36)17-22-9-8-20(2)14-28(22)39-19-21-15-25(23-11-13-35(6)27(23)16-21)24-10-12-33-26(30(24)32)18-34-40(37)31(3,4)5;1-8-31-25(30)16-20-10-9-18(2)13-24(20)32-17-19-14-22(21-11-12-29(7)23(21)15-19)28-33-26(3,4)27(5,6)34-28;1-4-33-26(32)14-19-6-5-17(2)11-25(19)34-16-18-12-22(20-8-10-31(3)24(20)13-18)21-7-9-30-23(15-29)27(21)28;1-15-3-4-17(12-24(30)31)23(9-15)32-14-16-10-20(18-6-8-29(2)22(18)11-16)19-5-7-28-21(13-27)25(19)26;1-4-25-21(24)12-16-6-5-14(2)9-20(16)26-13-15-10-18(22)17-7-8-23(3)19(17)11-15;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;1-11(2,3)16(15)7-5-9-10(13)8(12)4-6-14-9;;;/h8-16,34H,7,17-19H2,1-6H3;9-15H,8,16-17H2,1-7H3;5-13H,4,14-16,29H2,1-3H3;3-11H,12-14,27H2,1-2H3,(H,30,31);5-11H,4,12-13H2,1-3H3;1-8H3;4,6H,5,7H2,1-3H3;1H;;1H2/q;;;;;;;;+1;/p-1/t40-;;;;;;16-;;;/m0.....1.../s1
InChIKeyZKIPRVMFNMFZME-SGYFWVJKSA-M
MW2918.55 g/mol
LogP26.97
Rot. Bonds42

About lithium;2-[2-[[4-[2-(aminomethyl)-3-fluoro-4-pyridinyl]-1-methylindol-6-yl]methoxy]-4-methylphenyl]acetic acid;2-[2-[(R)-tert-butylsulfinyl]ethyl]-4-chloro-3-fluoropyridine;ethyl 2-[2-[[4-[2-(aminomethyl)-3-fluoro-4-pyridinyl]-1-methylindol-6-yl]methoxy]-4-methylphenyl]acetate;ethyl 2-[2-[(4-bromo-1-methylindol-6-yl)methoxy]-4-methylphenyl]acetate;ethyl 2-[2-[[4-[2-[[[(S)-tert-butylsulfinyl]amino]methyl]-3-fluoro-4-pyridinyl]-1-methylindol-6-yl]methoxy]-4-methylphenyl]acetate;ethyl 2-[4-methyl-2-[[1-methyl-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)-3-fluoro-4-pyridinyl]-1-methylindol-6-yl]methoxy]-4-methylphenyl]acetic acid;2-[2-[(R)-tert-butylsulfinyl]ethyl]-4-chloro-3-fluoropyridine;ethyl 2-[2-[[4-[2-(aminomethyl)-3-fluoro-4-pyridinyl]-1-methylindol-6-yl]methoxy]-4-methylphenyl]acetate;ethyl 2-[2-[(4-bromo-1-methylindol-6-yl)methoxy]-4-methylphenyl]acetate;ethyl 2-[2-[[4-[2-[[[(S)-tert-butylsulfinyl]amino]methyl]-3-fluoro-4-pyridinyl]-1-methylindol-6-yl]methoxy]-4-methylphenyl]acetate;ethyl 2-[4-methyl-2-[[1-methyl-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 159218201) has the molecular formula C154H185B3BrCl2F4LiN12O24S2 and a molecular weight of 2918.55 g/mol. Its IUPAC name is lithium;2-[2-[[4-[2-(aminomethyl)-3-fluoro-4-pyridinyl]-1-methylindol-6-yl]methoxy]-4-methylphenyl]acetic acid;2-[2-[(R)-tert-butylsulfinyl]ethyl]-4-chloro-3-fluoropyridine;ethyl 2-[2-[[4-[2-(aminomethyl)-3-fluoro-4-pyridinyl]-1-methylindol-6-yl]methoxy]-4-methylphenyl]acetate;ethyl 2-[2-[(4-bromo-1-methylindol-6-yl)methoxy]-4-methylphenyl]acetate;ethyl 2-[2-[[4-[2-[[[(S)-tert-butylsulfinyl]amino]methyl]-3-fluoro-4-pyridinyl]-1-methylindol-6-yl]methoxy]-4-methylphenyl]acetate;ethyl 2-[4-methyl-2-[[1-methyl-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.

Molecular Properties

Compound Namelithium;2-[2-[[4-[2-(aminomethyl)-3-fluoro-4-pyridinyl]-1-methylindol-6-yl]methoxy]-4-methylphenyl]acetic acid;2-[2-[(R)-tert-butylsulfinyl]ethyl]-4-chloro-3-fluoropyridine;ethyl 2-[2-[[4-[2-(aminomethyl)-3-fluoro-4-pyridinyl]-1-methylindol-6-yl]methoxy]-4-methylphenyl]acetate;ethyl 2-[2-[(4-bromo-1-methylindol-6-yl)methoxy]-4-methylphenyl]acetate;ethyl 2-[2-[[4-[2-[[[(S)-tert-butylsulfinyl]amino]methyl]-3-fluoro-4-pyridinyl]-1-methylindol-6-yl]methoxy]-4-methylphenyl]acetate;ethyl 2-[4-methyl-2-[[1-methyl-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 CID159218201
Molecular FormulaC154H185B3BrCl2F4LiN12O24S2
Molecular Weight2918.55 g/mol
Exact Mass2915.20
IUPAC Namelithium;2-[2-[[4-[2-(aminomethyl)-3-fluoro-4-pyridinyl]-1-methylindol-6-yl]methoxy]-4-methylphenyl]acetic acid;2-[2-[(R)-tert-butylsulfinyl]ethyl]-4-chloro-3-fluoropyridine;ethyl 2-[2-[[4-[2-(aminomethyl)-3-fluoro-4-pyridinyl]-1-methylindol-6-yl]methoxy]-4-methylphenyl]acetate;ethyl 2-[2-[(4-bromo-1-methylindol-6-yl)methoxy]-4-methylphenyl]acetate;ethyl 2-[2-[[4-[2-[[[(S)-tert-butylsulfinyl]amino]methyl]-3-fluoro-4-pyridinyl]-1-methylindol-6-yl]methoxy]-4-methylphenyl]acetate;ethyl 2-[4-methyl-2-[[1-methyl-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
SMILESCC(C)(C)[S@](=O)CCc1nccc(Cl)c1F.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CCOC(=O)Cc1ccc(C)cc1OCc1cc(-c2ccnc(CN)c2F)c2ccn(C)c2c1.CCOC(=O)Cc1ccc(C)cc1OCc1cc(-c2ccnc(CN[S@@](=O)C(C)(C)C)c2F)c2ccn(C)c2c1.CCOC(=O)Cc1ccc(C)cc1OCc1cc(B2OC(C)(C)C(C)(C)O2)c2ccn(C)c2c1.CCOC(=O)Cc1ccc(C)cc1OCc1cc(Br)c2ccn(C)c2c1.Cc1ccc(CC(=O)O)c(OCc2cc(-c3ccnc(CN)c3F)c3ccn(C)c3c2)c1.Cl.[Li+].[OH-]
InChIInChI=1S/C31H36FN3O4S.C27H34BNO5.C27H28FN3O3.C25H24FN3O3.C21H22BrNO3.C12H24B2O4.C11H15ClFNOS.ClH.Li.H2O/c1-7-38-29(36)17-22-9-8-20(2)14-28(22)39-19-21-15-25(23-11-13-35(6)27(23)16-21)24-10-12-33-26(30(24)32)18-34-40(37)31(3,4)5;1-8-31-25(30)16-20-10-9-18(2)13-24(20)32-17-19-14-22(21-11-12-29(7)23(21)15-19)28-33-26(3,4)27(5,6)34-28;1-4-33-26(32)14-19-6-5-17(2)11-25(19)34-16-18-12-22(20-8-10-31(3)24(20)13-18)21-7-9-30-23(15-29)27(21)28;1-15-3-4-17(12-24(30)31)23(9-15)32-14-16-10-20(18-6-8-29(2)22(18)11-16)19-5-7-28-21(13-27)25(19)26;1-4-25-21(24)12-16-6-5-14(2)9-20(16)26-13-15-10-18(22)17-7-8-23(3)19(17)11-15;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;1-11(2,3)16(15)7-5-9-10(13)8(12)4-6-14-9;;;/h8-16,34H,7,17-19H2,1-6H3;9-15H,8,16-17H2,1-7H3;5-13H,4,14-16,29H2,1-3H3;3-11H,12-14,27H2,1-2H3,(H,30,31);5-11H,4,12-13H2,1-3H3;1-8H3;4,6H,5,7H2,1-3H3;1H;;1H2/q;;;;;;;;+1;/p-1/t40-;;;;;;16-;;;/m0.....1.../s1
InChIKeyZKIPRVMFNMFZME-SGYFWVJKSA-M
XLogP26.97
TPSA448.45 Ų
H-Bond Donors4
H-Bond Acceptors34
Rotatable Bonds42
Heavy Atoms203
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002918.55
LogP ≤ 526.97
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1034

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze lithium;2-[2-[[4-[2-(aminomethyl)-3-fluoro-4-pyridinyl]-1-methylindol-6-yl]methoxy]-4-methylphenyl]acetic acid;2-[2-[(R)-tert-butylsulfinyl]ethyl]-4-chloro-3-fluoropyridine;ethyl 2-[2-[[4-[2-(aminomethyl)-3-fluoro-4-pyridinyl]-1-methylindol-6-yl]methoxy]-4-methylphenyl]acetate;ethyl 2-[2-[(4-bromo-1-methylindol-6-yl)methoxy]-4-methylphenyl]acetate;ethyl 2-[2-[[4-[2-[[[(S)-tert-butylsulfinyl]amino]methyl]-3-fluoro-4-pyridinyl]-1-methylindol-6-yl]methoxy]-4-methylphenyl]acetate;ethyl 2-[4-methyl-2-[[1-methyl-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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of lithium;2-[2-[[4-[2-(aminomethyl)-3-fluoro-4-pyridinyl]-1-methylindol-6-yl]methoxy]-4-methylphenyl]acetic acid;2-[2-[(R)-tert-butylsulfinyl]ethyl]-4-chloro-3-fluoropyridine;ethyl 2-[2-[[4-[2-(aminomethyl)-3-fluoro-4-pyridinyl]-1-methylindol-6-yl]methoxy]-4-methylphenyl]acetate;ethyl 2-[2-[(4-bromo-1-methylindol-6-yl)methoxy]-4-methylphenyl]acetate;ethyl 2-[2-[[4-[2-[[[(S)-tert-butylsulfinyl]amino]methyl]-3-fluoro-4-pyridinyl]-1-methylindol-6-yl]methoxy]-4-methylphenyl]acetate;ethyl 2-[4-methyl-2-[[1-methyl-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)-3-fluoro-4-pyridinyl]-1-methylindol-6-yl]methoxy]-4-methylphenyl]acetic acid;2-[2-[(R)-tert-butylsulfinyl]ethyl]-4-chloro-3-fluoropyridine;ethyl 2-[2-[[4-[2-(aminomethyl)-3-fluoro-4-pyridinyl]-1-methylindol-6-yl]methoxy]-4-methylphenyl]acetate;ethyl 2-[2-[(4-bromo-1-methylindol-6-yl)methoxy]-4-methylphenyl]acetate;ethyl 2-[2-[[4-[2-[[[(S)-tert-butylsulfinyl]amino]methyl]-3-fluoro-4-pyridinyl]-1-methylindol-6-yl]methoxy]-4-methylphenyl]acetate;ethyl 2-[4-methyl-2-[[1-methyl-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 159218201) is lithium;2-[2-[[4-[2-(aminomethyl)-3-fluoro-4-pyridinyl]-1-methylindol-6-yl]methoxy]-4-methylphenyl]acetic acid;2-[2-[(R)-tert-butylsulfinyl]ethyl]-4-chloro-3-fluoropyridine;ethyl 2-[2-[[4-[2-(aminomethyl)-3-fluoro-4-pyridinyl]-1-methylindol-6-yl]methoxy]-4-methylphenyl]acetate;ethyl 2-[2-[(4-bromo-1-methylindol-6-yl)methoxy]-4-methylphenyl]acetate;ethyl 2-[2-[[4-[2-[[[(S)-tert-butylsulfinyl]amino]methyl]-3-fluoro-4-pyridinyl]-1-methylindol-6-yl]methoxy]-4-methylphenyl]acetate;ethyl 2-[4-methyl-2-[[1-methyl-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)-3-fluoro-4-pyridinyl]-1-methylindol-6-yl]methoxy]-4-methylphenyl]acetic acid;2-[2-[(R)-tert-butylsulfinyl]ethyl]-4-chloro-3-fluoropyridine;ethyl 2-[2-[[4-[2-(aminomethyl)-3-fluoro-4-pyridinyl]-1-methylindol-6-yl]methoxy]-4-methylphenyl]acetate;ethyl 2-[2-[(4-bromo-1-methylindol-6-yl)methoxy]-4-methylphenyl]acetate;ethyl 2-[2-[[4-[2-[[[(S)-tert-butylsulfinyl]amino]methyl]-3-fluoro-4-pyridinyl]-1-methylindol-6-yl]methoxy]-4-methylphenyl]acetate;ethyl 2-[4-methyl-2-[[1-methyl-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)-3-fluoro-4-pyridinyl]-1-methylindol-6-yl]methoxy]-4-methylphenyl]acetic acid;2-[2-[(R)-tert-butylsulfinyl]ethyl]-4-chloro-3-fluoropyridine;ethyl 2-[2-[[4-[2-(aminomethyl)-3-fluoro-4-pyridinyl]-1-methylindol-6-yl]methoxy]-4-methylphenyl]acetate;ethyl 2-[2-[(4-bromo-1-methylindol-6-yl)methoxy]-4-methylphenyl]acetate;ethyl 2-[2-[[4-[2-[[[(S)-tert-butylsulfinyl]amino]methyl]-3-fluoro-4-pyridinyl]-1-methylindol-6-yl]methoxy]-4-methylphenyl]acetate;ethyl 2-[4-methyl-2-[[1-methyl-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)CCc1nccc(Cl)c1F.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CCOC(=O)Cc1ccc(C)cc1OCc1cc(-c2ccnc(CN)c2F)c2ccn(C)c2c1.CCOC(=O)Cc1ccc(C)cc1OCc1cc(-c2ccnc(CN[S@@](=O)C(C)(C)C)c2F)c2ccn(C)c2c1.CCOC(=O)Cc1ccc(C)cc1OCc1cc(B2OC(C)(C)C(C)(C)O2)c2ccn(C)c2c1.CCOC(=O)Cc1ccc(C)cc1OCc1cc(Br)c2ccn(C)c2c1.Cc1ccc(CC(=O)O)c(OCc2cc(-c3ccnc(CN)c3F)c3ccn(C)c3c2)c1.Cl.[Li+].[OH-].
What is the InChIKey of lithium;2-[2-[[4-[2-(aminomethyl)-3-fluoro-4-pyridinyl]-1-methylindol-6-yl]methoxy]-4-methylphenyl]acetic acid;2-[2-[(R)-tert-butylsulfinyl]ethyl]-4-chloro-3-fluoropyridine;ethyl 2-[2-[[4-[2-(aminomethyl)-3-fluoro-4-pyridinyl]-1-methylindol-6-yl]methoxy]-4-methylphenyl]acetate;ethyl 2-[2-[(4-bromo-1-methylindol-6-yl)methoxy]-4-methylphenyl]acetate;ethyl 2-[2-[[4-[2-[[[(S)-tert-butylsulfinyl]amino]methyl]-3-fluoro-4-pyridinyl]-1-methylindol-6-yl]methoxy]-4-methylphenyl]acetate;ethyl 2-[4-methyl-2-[[1-methyl-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 ZKIPRVMFNMFZME-SGYFWVJKSA-M. The full InChI is InChI=1S/C31H36FN3O4S.C27H34BNO5.C27H28FN3O3.C25H24FN3O3.C21H22BrNO3.C12H24B2O4.C11H15ClFNOS.ClH.Li.H2O/c1-7-38-29(36)17-22-9-8-20(2)14-28(22)39-19-21-15-25(23-11-13-35(6)27(23)16-21)24-10-12-33-26(30(24)32)18-34-40(37)31(3,4)5;1-8-31-25(30)16-20-10-9-18(2)13-24(20)32-17-19-14-22(21-11-12-29(7)23(21)15-19)28-33-26(3,4)27(5,6)34-28;1-4-33-26(32)14-19-6-5-17(2)11-25(19)34-16-18-12-22(20-8-10-31(3)24(20)13-18)21-7-9-30-23(15-29)27(21)28;1-15-3-4-17(12-24(30)31)23(9-15)32-14-16-10-20(18-6-8-29(2)22(18)11-16)19-5-7-28-21(13-27)25(19)26;1-4-25-21(24)12-16-6-5-14(2)9-20(16)26-13-15-10-18(22)17-7-8-23(3)19(17)11-15;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;1-11(2,3)16(15)7-5-9-10(13)8(12)4-6-14-9;;;/h8-16,34H,7,17-19H2,1-6H3;9-15H,8,16-17H2,1-7H3;5-13H,4,14-16,29H2,1-3H3;3-11H,12-14,27H2,1-2H3,(H,30,31);5-11H,4,12-13H2,1-3H3;1-8H3;4,6H,5,7H2,1-3H3;1H;;1H2/q;;;;;;;;+1;/p-1/t40-;;;;;;16-;;;/m0.....1.../s1.
What are the key properties of lithium;2-[2-[[4-[2-(aminomethyl)-3-fluoro-4-pyridinyl]-1-methylindol-6-yl]methoxy]-4-methylphenyl]acetic acid;2-[2-[(R)-tert-butylsulfinyl]ethyl]-4-chloro-3-fluoropyridine;ethyl 2-[2-[[4-[2-(aminomethyl)-3-fluoro-4-pyridinyl]-1-methylindol-6-yl]methoxy]-4-methylphenyl]acetate;ethyl 2-[2-[(4-bromo-1-methylindol-6-yl)methoxy]-4-methylphenyl]acetate;ethyl 2-[2-[[4-[2-[[[(S)-tert-butylsulfinyl]amino]methyl]-3-fluoro-4-pyridinyl]-1-methylindol-6-yl]methoxy]-4-methylphenyl]acetate;ethyl 2-[4-methyl-2-[[1-methyl-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)-3-fluoro-4-pyridinyl]-1-methylindol-6-yl]methoxy]-4-methylphenyl]acetic acid;2-[2-[(R)-tert-butylsulfinyl]ethyl]-4-chloro-3-fluoropyridine;ethyl 2-[2-[[4-[2-(aminomethyl)-3-fluoro-4-pyridinyl]-1-methylindol-6-yl]methoxy]-4-methylphenyl]acetate;ethyl 2-[2-[(4-bromo-1-methylindol-6-yl)methoxy]-4-methylphenyl]acetate;ethyl 2-[2-[[4-[2-[[[(S)-tert-butylsulfinyl]amino]methyl]-3-fluoro-4-pyridinyl]-1-methylindol-6-yl]methoxy]-4-methylphenyl]acetate;ethyl 2-[4-methyl-2-[[1-methyl-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 2918.55 g/mol, XLogP of 26.97, 42 rotatable bonds, 4 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;2-[2-[[4-[2-(aminomethyl)-3-fluoro-4-pyridinyl]-1-methylindol-6-yl]methoxy]-4-methylphenyl]acetic acid;2-[2-[(R)-tert-butylsulfinyl]ethyl]-4-chloro-3-fluoropyridine;ethyl 2-[2-[[4-[2-(aminomethyl)-3-fluoro-4-pyridinyl]-1-methylindol-6-yl]methoxy]-4-methylphenyl]acetate;ethyl 2-[2-[(4-bromo-1-methylindol-6-yl)methoxy]-4-methylphenyl]acetate;ethyl 2-[2-[[4-[2-[[[(S)-tert-butylsulfinyl]amino]methyl]-3-fluoro-4-pyridinyl]-1-methylindol-6-yl]methoxy]-4-methylphenyl]acetate;ethyl 2-[4-methyl-2-[[1-methyl-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 159218201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).