Lithium;2-[2-[[4-[2-(aminomethyl)-4-pyridinyl]-1-methylindol-6-yl]methoxy]phenyl]acetic acid;2-[2-[(R)-tert-butylsulfinyl]ethyl]-4-chloropyridine;ethyl 2-[2-[[4-[2-(aminomethyl)-4-pyridinyl]-1-methylindol-6-yl]methoxy]phenyl]acetate;ethyl 2-[2-[(4-bromo-1-methylindol-6-yl)methoxy]phenyl]acetate;ethyl 2-[2-[[4-[2-[2-[(R)-tert-butylsulfinyl]ethyl]-4-pyridinyl]-1-methylindol-6-yl]methoxy]phenyl]acetate;ethyl 2-[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

C₁₅₀H₁₈₀B₃BrCl₂LiN₁₁O₂₄S₂ — CID 158899297

About Lithium;2-[2-[[4-[2-(aminomethyl)-4-pyridinyl]-1-methylindol-6-yl]methoxy]phenyl]acetic acid;2-[2-[(R)-tert-butylsulfinyl]ethyl]-4-chloropyridine;ethyl 2-[2-[[4-[2-(aminomethyl)-4-pyridinyl]-1-methylindol-6-yl]methoxy]phenyl]acetate;ethyl 2-[2-[(4-bromo-1-methylindol-6-yl)methoxy]phenyl]acetate;ethyl 2-[2-[[4-[2-[2-[(R)-tert-butylsulfinyl]ethyl]-4-pyridinyl]-1-methylindol-6-yl]methoxy]phenyl]acetate;ethyl 2-[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)-4-pyridinyl]-1-methylindol-6-yl]methoxy]phenyl]acetic acid;2-[2-[(R)-tert-butylsulfinyl]ethyl]-4-chloropyridine;ethyl 2-[2-[[4-[2-(aminomethyl)-4-pyridinyl]-1-methylindol-6-yl]methoxy]phenyl]acetate;ethyl 2-[2-[(4-bromo-1-methylindol-6-yl)methoxy]phenyl]acetate;ethyl 2-[2-[[4-[2-[2-[(R)-tert-butylsulfinyl]ethyl]-4-pyridinyl]-1-methylindol-6-yl]methoxy]phenyl]acetate;ethyl 2-[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 158899297) has the molecular formula C₁₅₀H₁₈₀B₃BrCl₂LiN₁₁O₂₄S₂ and a molecular weight of 2775.46 g/mol. Its IUPAC name is lithium;2-[2-[[4-[2-(aminomethyl)-4-pyridinyl]-1-methylindol-6-yl]methoxy]phenyl]acetic acid;2-[2-[(R)-tert-butylsulfinyl]ethyl]-4-chloropyridine;ethyl 2-[2-[[4-[2-(aminomethyl)-4-pyridinyl]-1-methylindol-6-yl]methoxy]phenyl]acetate;ethyl 2-[2-[(4-bromo-1-methylindol-6-yl)methoxy]phenyl]acetate;ethyl 2-[2-[[4-[2-[2-[(R)-tert-butylsulfinyl]ethyl]-4-pyridinyl]-1-methylindol-6-yl]methoxy]phenyl]acetate;ethyl 2-[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 Name: Lithium;2-[2-[[4-[2-(aminomethyl)-4-pyridinyl]-1-methylindol-6-yl]methoxy]phenyl]acetic acid;2-[2-[(R)-tert-butylsulfinyl]ethyl]-4-chloropyridine;ethyl 2-[2-[[4-[2-(aminomethyl)-4-pyridinyl]-1-methylindol-6-yl]methoxy]phenyl]acetate;ethyl 2-[2-[(4-bromo-1-methylindol-6-yl)methoxy]phenyl]acetate;ethyl 2-[2-[[4-[2-[2-[(R)-tert-butylsulfinyl]ethyl]-4-pyridinyl]-1-methylindol-6-yl]methoxy]phenyl]acetate;ethyl 2-[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: 158899297
• Molecular Formula: C₁₅₀H₁₈₀B₃BrCl₂LiN₁₁O₂₄S₂
• Molecular Weight: 2775.46 g/mol
• Exact Mass: 2772.16
• IUPAC Name: lithium;2-[2-[[4-[2-(aminomethyl)-4-pyridinyl]-1-methylindol-6-yl]methoxy]phenyl]acetic acid;2-[2-[(R)-tert-butylsulfinyl]ethyl]-4-chloropyridine;ethyl 2-[2-[[4-[2-(aminomethyl)-4-pyridinyl]-1-methylindol-6-yl]methoxy]phenyl]acetate;ethyl 2-[2-[(4-bromo-1-methylindol-6-yl)methoxy]phenyl]acetate;ethyl 2-[2-[[4-[2-[2-[(R)-tert-butylsulfinyl]ethyl]-4-pyridinyl]-1-methylindol-6-yl]methoxy]phenyl]acetate;ethyl 2-[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
• SMILES: CC(C)(C)[S@](=O)CCc1cc(Cl)ccn1.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CCOC(=O)Cc1ccccc1OCc1cc(-c2ccnc(CC[S@@](=O)C(C)(C)C)c2)c2ccn(C)c2c1.CCOC(=O)Cc1ccccc1OCc1cc(-c2ccnc(CN)c2)c2ccn(C)c2c1.CCOC(=O)Cc1ccccc1OCc1cc(B2OC(C)(C)C(C)(C)O2)c2ccn(C)c2c1.CCOC(=O)Cc1ccccc1OCc1cc(Br)c2ccn(C)c2c1.Cl.Cn1ccc2c(-c3ccnc(CN)c3)cc(COc3ccccc3CC(=O)O)cc21.[Li+].[OH-]
• InChI: InChI=1S/C31H36N2O4S.C26H32BNO5.C26H27N3O3.C24H23N3O3.C20H20BrNO3.C12H24B2O4.C11H16ClNOS.ClH.Li.H2O/c1-6-36-30(34)20-24-9-7-8-10-29(24)37-21-22-17-27(26-12-15-33(5)28(26)18-22)23-11-14-32-25(19-23)13-16-38(35)31(2,3)4;1-7-30-24(29)16-19-10-8-9-11-23(19)31-17-18-14-21(20-12-13-28(6)22(20)15-18)27-32-25(2,3)26(4,5)33-27;1-3-31-26(30)15-20-6-4-5-7-25(20)32-17-18-12-23(19-8-10-28-21(14-19)16-27)22-9-11-29(2)24(22)13-18;1-27-9-7-20-21(17-6-8-26-19(12-17)14-25)10-16(11-22(20)27)15-30-23-5-3-2-4-18(23)13-24(28)29;1-3-24-20(23)12-15-6-4-5-7-19(15)25-13-14-10-17(21)16-8-9-22(2)18(16)11-14;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;;;/h7-12,14-15,17-19H,6,13,16,20-21H2,1-5H3;8-15H,7,16-17H2,1-6H3;4-14H,3,15-17,27H2,1-2H3;2-12H,13-15,25H2,1H3,(H,28,29);4-11H,3,12-13H2,1-2H3;1-8H3;4,6,8H,5,7H2,1-3H3;1H;;1H2/q;;;;;;;;+1;/p-1/t38-;;;;;;15-;;;/m1.....1.../s1
• InChIKey: AMPMSDNSXPOHAD-RVORJJIUSA-M
• XLogP: 25.41
• TPSA: 436.42 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 34
• Rotatable Bonds: 42
• Heavy Atoms: 194
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2775.46
LogP ≤ 5	25.41
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	34

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of Lithium;2-[2-[[4-[2-(aminomethyl)-4-pyridinyl]-1-methylindol-6-yl]methoxy]phenyl]acetic acid;2-[2-[(R)-tert-butylsulfinyl]ethyl]-4-chloropyridine;ethyl 2-[2-[[4-[2-(aminomethyl)-4-pyridinyl]-1-methylindol-6-yl]methoxy]phenyl]acetate;ethyl 2-[2-[(4-bromo-1-methylindol-6-yl)methoxy]phenyl]acetate;ethyl 2-[2-[[4-[2-[2-[(R)-tert-butylsulfinyl]ethyl]-4-pyridinyl]-1-methylindol-6-yl]methoxy]phenyl]acetate;ethyl 2-[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)-4-pyridinyl]-1-methylindol-6-yl]methoxy]phenyl]acetic acid;2-[2-[(R)-tert-butylsulfinyl]ethyl]-4-chloropyridine;ethyl 2-[2-[[4-[2-(aminomethyl)-4-pyridinyl]-1-methylindol-6-yl]methoxy]phenyl]acetate;ethyl 2-[2-[(4-bromo-1-methylindol-6-yl)methoxy]phenyl]acetate;ethyl 2-[2-[[4-[2-[2-[(R)-tert-butylsulfinyl]ethyl]-4-pyridinyl]-1-methylindol-6-yl]methoxy]phenyl]acetate;ethyl 2-[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 158899297) is lithium;2-[2-[[4-[2-(aminomethyl)-4-pyridinyl]-1-methylindol-6-yl]methoxy]phenyl]acetic acid;2-[2-[(R)-tert-butylsulfinyl]ethyl]-4-chloropyridine;ethyl 2-[2-[[4-[2-(aminomethyl)-4-pyridinyl]-1-methylindol-6-yl]methoxy]phenyl]acetate;ethyl 2-[2-[(4-bromo-1-methylindol-6-yl)methoxy]phenyl]acetate;ethyl 2-[2-[[4-[2-[2-[(R)-tert-butylsulfinyl]ethyl]-4-pyridinyl]-1-methylindol-6-yl]methoxy]phenyl]acetate;ethyl 2-[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)-4-pyridinyl]-1-methylindol-6-yl]methoxy]phenyl]acetic acid;2-[2-[(R)-tert-butylsulfinyl]ethyl]-4-chloropyridine;ethyl 2-[2-[[4-[2-(aminomethyl)-4-pyridinyl]-1-methylindol-6-yl]methoxy]phenyl]acetate;ethyl 2-[2-[(4-bromo-1-methylindol-6-yl)methoxy]phenyl]acetate;ethyl 2-[2-[[4-[2-[2-[(R)-tert-butylsulfinyl]ethyl]-4-pyridinyl]-1-methylindol-6-yl]methoxy]phenyl]acetate;ethyl 2-[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)-4-pyridinyl]-1-methylindol-6-yl]methoxy]phenyl]acetic acid;2-[2-[(R)-tert-butylsulfinyl]ethyl]-4-chloropyridine;ethyl 2-[2-[[4-[2-(aminomethyl)-4-pyridinyl]-1-methylindol-6-yl]methoxy]phenyl]acetate;ethyl 2-[2-[(4-bromo-1-methylindol-6-yl)methoxy]phenyl]acetate;ethyl 2-[2-[[4-[2-[2-[(R)-tert-butylsulfinyl]ethyl]-4-pyridinyl]-1-methylindol-6-yl]methoxy]phenyl]acetate;ethyl 2-[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)CCc1cc(Cl)ccn1.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CCOC(=O)Cc1ccccc1OCc1cc(-c2ccnc(CC[S@@](=O)C(C)(C)C)c2)c2ccn(C)c2c1.CCOC(=O)Cc1ccccc1OCc1cc(-c2ccnc(CN)c2)c2ccn(C)c2c1.CCOC(=O)Cc1ccccc1OCc1cc(B2OC(C)(C)C(C)(C)O2)c2ccn(C)c2c1.CCOC(=O)Cc1ccccc1OCc1cc(Br)c2ccn(C)c2c1.Cl.Cn1ccc2c(-c3ccnc(CN)c3)cc(COc3ccccc3CC(=O)O)cc21.[Li+].[OH-].

What is the InChIKey of Lithium;2-[2-[[4-[2-(aminomethyl)-4-pyridinyl]-1-methylindol-6-yl]methoxy]phenyl]acetic acid;2-[2-[(R)-tert-butylsulfinyl]ethyl]-4-chloropyridine;ethyl 2-[2-[[4-[2-(aminomethyl)-4-pyridinyl]-1-methylindol-6-yl]methoxy]phenyl]acetate;ethyl 2-[2-[(4-bromo-1-methylindol-6-yl)methoxy]phenyl]acetate;ethyl 2-[2-[[4-[2-[2-[(R)-tert-butylsulfinyl]ethyl]-4-pyridinyl]-1-methylindol-6-yl]methoxy]phenyl]acetate;ethyl 2-[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 AMPMSDNSXPOHAD-RVORJJIUSA-M. The full InChI is InChI=1S/C31H36N2O4S.C26H32BNO5.C26H27N3O3.C24H23N3O3.C20H20BrNO3.C12H24B2O4.C11H16ClNOS.ClH.Li.H2O/c1-6-36-30(34)20-24-9-7-8-10-29(24)37-21-22-17-27(26-12-15-33(5)28(26)18-22)23-11-14-32-25(19-23)13-16-38(35)31(2,3)4;1-7-30-24(29)16-19-10-8-9-11-23(19)31-17-18-14-21(20-12-13-28(6)22(20)15-18)27-32-25(2,3)26(4,5)33-27;1-3-31-26(30)15-20-6-4-5-7-25(20)32-17-18-12-23(19-8-10-28-21(14-19)16-27)22-9-11-29(2)24(22)13-18;1-27-9-7-20-21(17-6-8-26-19(12-17)14-25)10-16(11-22(20)27)15-30-23-5-3-2-4-18(23)13-24(28)29;1-3-24-20(23)12-15-6-4-5-7-19(15)25-13-14-10-17(21)16-8-9-22(2)18(16)11-14;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;;;/h7-12,14-15,17-19H,6,13,16,20-21H2,1-5H3;8-15H,7,16-17H2,1-6H3;4-14H,3,15-17,27H2,1-2H3;2-12H,13-15,25H2,1H3,(H,28,29);4-11H,3,12-13H2,1-2H3;1-8H3;4,6,8H,5,7H2,1-3H3;1H;;1H2/q;;;;;;;;+1;/p-1/t38-;;;;;;15-;;;/m1.....1.../s1.

What are the key properties of Lithium;2-[2-[[4-[2-(aminomethyl)-4-pyridinyl]-1-methylindol-6-yl]methoxy]phenyl]acetic acid;2-[2-[(R)-tert-butylsulfinyl]ethyl]-4-chloropyridine;ethyl 2-[2-[[4-[2-(aminomethyl)-4-pyridinyl]-1-methylindol-6-yl]methoxy]phenyl]acetate;ethyl 2-[2-[(4-bromo-1-methylindol-6-yl)methoxy]phenyl]acetate;ethyl 2-[2-[[4-[2-[2-[(R)-tert-butylsulfinyl]ethyl]-4-pyridinyl]-1-methylindol-6-yl]methoxy]phenyl]acetate;ethyl 2-[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)-4-pyridinyl]-1-methylindol-6-yl]methoxy]phenyl]acetic acid;2-[2-[(R)-tert-butylsulfinyl]ethyl]-4-chloropyridine;ethyl 2-[2-[[4-[2-(aminomethyl)-4-pyridinyl]-1-methylindol-6-yl]methoxy]phenyl]acetate;ethyl 2-[2-[(4-bromo-1-methylindol-6-yl)methoxy]phenyl]acetate;ethyl 2-[2-[[4-[2-[2-[(R)-tert-butylsulfinyl]ethyl]-4-pyridinyl]-1-methylindol-6-yl]methoxy]phenyl]acetate;ethyl 2-[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 2775.46 g/mol, XLogP of 25.41, 42 rotatable bonds, 3 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for Lithium;2-[2-[[4-[2-(aminomethyl)-4-pyridinyl]-1-methylindol-6-yl]methoxy]phenyl]acetic acid;2-[2-[(R)-tert-butylsulfinyl]ethyl]-4-chloropyridine;ethyl 2-[2-[[4-[2-(aminomethyl)-4-pyridinyl]-1-methylindol-6-yl]methoxy]phenyl]acetate;ethyl 2-[2-[(4-bromo-1-methylindol-6-yl)methoxy]phenyl]acetate;ethyl 2-[2-[[4-[2-[2-[(R)-tert-butylsulfinyl]ethyl]-4-pyridinyl]-1-methylindol-6-yl]methoxy]phenyl]acetate;ethyl 2-[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 158899297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 158899297 — identifiers, structure, computed properties (public domain)

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