lithium;2-[2-[[4-[2-(aminomethyl)-4-pyridinyl]-1-methylindazol-6-yl]methoxy]phenyl]acetic acid;tert-butyl N-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]methyl]carbamate;ethyl 2-[2-[[4-[2-(aminomethyl)-4-pyridinyl]-1-methylindazol-6-yl]methoxy]phenyl]acetate;ethyl 2-[2-[(4-bromo-1-methylindazol-6-yl)methoxy]phenyl]acetate;ethyl 2-[2-[[4-(2-ethyl-4-pyridinyl)-1-methylindazol-6-yl]methoxy]phenyl]acetate;2,2,2-trifluoroacetaldehyde;hydroxide

C112H123BBrF3LiN15O18 — CID 161045672

About lithium;2-[2-[[4-[2-(aminomethyl)-4-pyridinyl]-1-methylindazol-6-yl]methoxy]phenyl]acetic acid;tert-butyl N-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]methyl]carbamate;ethyl 2-[2-[[4-[2-(aminomethyl)-4-pyridinyl]-1-methylindazol-6-yl]methoxy]phenyl]acetate;ethyl 2-[2-[(4-bromo-1-methylindazol-6-yl)methoxy]phenyl]acetate;ethyl 2-[2-[[4-(2-ethyl-4-pyridinyl)-1-methylindazol-6-yl]methoxy]phenyl]acetate;2,2,2-trifluoroacetaldehyde;hydroxide

lithium;2-[2-[[4-[2-(aminomethyl)-4-pyridinyl]-1-methylindazol-6-yl]methoxy]phenyl]acetic acid;tert-butyl N-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]methyl]carbamate;ethyl 2-[2-[[4-[2-(aminomethyl)-4-pyridinyl]-1-methylindazol-6-yl]methoxy]phenyl]acetate;ethyl 2-[2-[(4-bromo-1-methylindazol-6-yl)methoxy]phenyl]acetate;ethyl 2-[2-[[4-(2-ethyl-4-pyridinyl)-1-methylindazol-6-yl]methoxy]phenyl]acetate;2,2,2-trifluoroacetaldehyde;hydroxide (PubChem CID 161045672) has the molecular formula C112H123BBrF3LiN15O18 and a molecular weight of 2121.95 g/mol. Its IUPAC name is lithium;2-[2-[[4-[2-(aminomethyl)-4-pyridinyl]-1-methylindazol-6-yl]methoxy]phenyl]acetic acid;tert-butyl N-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]methyl]carbamate;ethyl 2-[2-[[4-[2-(aminomethyl)-4-pyridinyl]-1-methylindazol-6-yl]methoxy]phenyl]acetate;ethyl 2-[2-[(4-bromo-1-methylindazol-6-yl)methoxy]phenyl]acetate;ethyl 2-[2-[[4-(2-ethyl-4-pyridinyl)-1-methylindazol-6-yl]methoxy]phenyl]acetate;2,2,2-trifluoroacetaldehyde;hydroxide.

Molecular Properties

• Compound Name: lithium;2-[2-[[4-[2-(aminomethyl)-4-pyridinyl]-1-methylindazol-6-yl]methoxy]phenyl]acetic acid;tert-butyl N-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]methyl]carbamate;ethyl 2-[2-[[4-[2-(aminomethyl)-4-pyridinyl]-1-methylindazol-6-yl]methoxy]phenyl]acetate;ethyl 2-[2-[(4-bromo-1-methylindazol-6-yl)methoxy]phenyl]acetate;ethyl 2-[2-[[4-(2-ethyl-4-pyridinyl)-1-methylindazol-6-yl]methoxy]phenyl]acetate;2,2,2-trifluoroacetaldehyde;hydroxide
• PubChem CID: 161045672
• Molecular Formula: C112H123BBrF3LiN15O18
• Molecular Weight: 2121.95 g/mol
• Exact Mass: 2119.86
• IUPAC Name: lithium;2-[2-[[4-[2-(aminomethyl)-4-pyridinyl]-1-methylindazol-6-yl]methoxy]phenyl]acetic acid;tert-butyl N-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]methyl]carbamate;ethyl 2-[2-[[4-[2-(aminomethyl)-4-pyridinyl]-1-methylindazol-6-yl]methoxy]phenyl]acetate;ethyl 2-[2-[(4-bromo-1-methylindazol-6-yl)methoxy]phenyl]acetate;ethyl 2-[2-[[4-(2-ethyl-4-pyridinyl)-1-methylindazol-6-yl]methoxy]phenyl]acetate;2,2,2-trifluoroacetaldehyde;hydroxide
• SMILES: CC(C)(C)OC(=O)NCc1cc(B2OC(C)(C)C(C)(C)O2)ccn1.CCOC(=O)Cc1ccccc1OCc1cc(-c2ccnc(CC)c2)c2cnn(C)c2c1.CCOC(=O)Cc1ccccc1OCc1cc(-c2ccnc(CN)c2)c2cnn(C)c2c1.CCOC(=O)Cc1ccccc1OCc1cc(Br)c2cnn(C)c2c1.Cn1ncc2c(-c3ccnc(CN)c3)cc(COc3ccccc3CC(=O)O)cc21.O=CC(F)(F)F.[Li+].[OH-]
• InChI: InChI=1S/C26H27N3O3.C25H26N4O3.C23H22N4O3.C19H19BrN2O3.C17H27BN2O4.C2HF3O.Li.H2O/c1-4-21-14-19(10-11-27-21)22-12-18(13-24-23(22)16-28-29(24)3)17-32-25-9-7-6-8-20(25)15-26(30)31-5-2;1-3-31-25(30)13-19-6-4-5-7-24(19)32-16-17-10-21(18-8-9-27-20(12-18)14-26)22-15-28-29(2)23(22)11-17;1-27-21-9-15(14-30-22-5-3-2-4-17(22)11-23(28)29)8-19(20(21)13-26-27)16-6-7-25-18(10-16)12-24;1-3-24-19(23)10-14-6-4-5-7-18(14)25-12-13-8-16(20)15-11-21-22(2)17(15)9-13;1-15(2,3)22-14(21)20-11-13-10-12(8-9-19-13)18-23-16(4,5)17(6,7)24-18;3-2(4,5)1-6;;/h6-14,16H,4-5,15,17H2,1-3H3;4-12,15H,3,13-14,16,26H2,1-2H3;2-10,13H,11-12,14,24H2,1H3,(H,28,29);4-9,11H,3,10,12H2,1-2H3;8-10H,11H2,1-7H3,(H,20,21);1H;;1H2/q;;;;;;+1;/p-1
• InChIKey: UBLVRFYLQBNFES-UHFFFAOYSA-M
• XLogP: 15.96
• TPSA: 431.86 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 31
• Rotatable Bonds: 32
• Heavy Atoms: 151
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2121.95
LogP ≤ 5	15.96
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	31

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', '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-methylindazol-6-yl]methoxy]phenyl]acetic acid;tert-butyl N-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]methyl]carbamate;ethyl 2-[2-[[4-[2-(aminomethyl)-4-pyridinyl]-1-methylindazol-6-yl]methoxy]phenyl]acetate;ethyl 2-[2-[(4-bromo-1-methylindazol-6-yl)methoxy]phenyl]acetate;ethyl 2-[2-[[4-(2-ethyl-4-pyridinyl)-1-methylindazol-6-yl]methoxy]phenyl]acetate;2,2,2-trifluoroacetaldehyde;hydroxide?

The IUPAC name of lithium;2-[2-[[4-[2-(aminomethyl)-4-pyridinyl]-1-methylindazol-6-yl]methoxy]phenyl]acetic acid;tert-butyl N-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]methyl]carbamate;ethyl 2-[2-[[4-[2-(aminomethyl)-4-pyridinyl]-1-methylindazol-6-yl]methoxy]phenyl]acetate;ethyl 2-[2-[(4-bromo-1-methylindazol-6-yl)methoxy]phenyl]acetate;ethyl 2-[2-[[4-(2-ethyl-4-pyridinyl)-1-methylindazol-6-yl]methoxy]phenyl]acetate;2,2,2-trifluoroacetaldehyde;hydroxide (CID 161045672) is lithium;2-[2-[[4-[2-(aminomethyl)-4-pyridinyl]-1-methylindazol-6-yl]methoxy]phenyl]acetic acid;tert-butyl N-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]methyl]carbamate;ethyl 2-[2-[[4-[2-(aminomethyl)-4-pyridinyl]-1-methylindazol-6-yl]methoxy]phenyl]acetate;ethyl 2-[2-[(4-bromo-1-methylindazol-6-yl)methoxy]phenyl]acetate;ethyl 2-[2-[[4-(2-ethyl-4-pyridinyl)-1-methylindazol-6-yl]methoxy]phenyl]acetate;2,2,2-trifluoroacetaldehyde;hydroxide.

What is the SMILES notation for lithium;2-[2-[[4-[2-(aminomethyl)-4-pyridinyl]-1-methylindazol-6-yl]methoxy]phenyl]acetic acid;tert-butyl N-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]methyl]carbamate;ethyl 2-[2-[[4-[2-(aminomethyl)-4-pyridinyl]-1-methylindazol-6-yl]methoxy]phenyl]acetate;ethyl 2-[2-[(4-bromo-1-methylindazol-6-yl)methoxy]phenyl]acetate;ethyl 2-[2-[[4-(2-ethyl-4-pyridinyl)-1-methylindazol-6-yl]methoxy]phenyl]acetate;2,2,2-trifluoroacetaldehyde;hydroxide?

The canonical SMILES for lithium;2-[2-[[4-[2-(aminomethyl)-4-pyridinyl]-1-methylindazol-6-yl]methoxy]phenyl]acetic acid;tert-butyl N-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]methyl]carbamate;ethyl 2-[2-[[4-[2-(aminomethyl)-4-pyridinyl]-1-methylindazol-6-yl]methoxy]phenyl]acetate;ethyl 2-[2-[(4-bromo-1-methylindazol-6-yl)methoxy]phenyl]acetate;ethyl 2-[2-[[4-(2-ethyl-4-pyridinyl)-1-methylindazol-6-yl]methoxy]phenyl]acetate;2,2,2-trifluoroacetaldehyde;hydroxide is CC(C)(C)OC(=O)NCc1cc(B2OC(C)(C)C(C)(C)O2)ccn1.CCOC(=O)Cc1ccccc1OCc1cc(-c2ccnc(CC)c2)c2cnn(C)c2c1.CCOC(=O)Cc1ccccc1OCc1cc(-c2ccnc(CN)c2)c2cnn(C)c2c1.CCOC(=O)Cc1ccccc1OCc1cc(Br)c2cnn(C)c2c1.Cn1ncc2c(-c3ccnc(CN)c3)cc(COc3ccccc3CC(=O)O)cc21.O=CC(F)(F)F.[Li+].[OH-].

What is the InChIKey of lithium;2-[2-[[4-[2-(aminomethyl)-4-pyridinyl]-1-methylindazol-6-yl]methoxy]phenyl]acetic acid;tert-butyl N-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]methyl]carbamate;ethyl 2-[2-[[4-[2-(aminomethyl)-4-pyridinyl]-1-methylindazol-6-yl]methoxy]phenyl]acetate;ethyl 2-[2-[(4-bromo-1-methylindazol-6-yl)methoxy]phenyl]acetate;ethyl 2-[2-[[4-(2-ethyl-4-pyridinyl)-1-methylindazol-6-yl]methoxy]phenyl]acetate;2,2,2-trifluoroacetaldehyde;hydroxide?

The InChIKey is UBLVRFYLQBNFES-UHFFFAOYSA-M. The full InChI is InChI=1S/C26H27N3O3.C25H26N4O3.C23H22N4O3.C19H19BrN2O3.C17H27BN2O4.C2HF3O.Li.H2O/c1-4-21-14-19(10-11-27-21)22-12-18(13-24-23(22)16-28-29(24)3)17-32-25-9-7-6-8-20(25)15-26(30)31-5-2;1-3-31-25(30)13-19-6-4-5-7-24(19)32-16-17-10-21(18-8-9-27-20(12-18)14-26)22-15-28-29(2)23(22)11-17;1-27-21-9-15(14-30-22-5-3-2-4-17(22)11-23(28)29)8-19(20(21)13-26-27)16-6-7-25-18(10-16)12-24;1-3-24-19(23)10-14-6-4-5-7-18(14)25-12-13-8-16(20)15-11-21-22(2)17(15)9-13;1-15(2,3)22-14(21)20-11-13-10-12(8-9-19-13)18-23-16(4,5)17(6,7)24-18;3-2(4,5)1-6;;/h6-14,16H,4-5,15,17H2,1-3H3;4-12,15H,3,13-14,16,26H2,1-2H3;2-10,13H,11-12,14,24H2,1H3,(H,28,29);4-9,11H,3,10,12H2,1-2H3;8-10H,11H2,1-7H3,(H,20,21);1H;;1H2/q;;;;;;+1;/p-1.

What are the key properties of lithium;2-[2-[[4-[2-(aminomethyl)-4-pyridinyl]-1-methylindazol-6-yl]methoxy]phenyl]acetic acid;tert-butyl N-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]methyl]carbamate;ethyl 2-[2-[[4-[2-(aminomethyl)-4-pyridinyl]-1-methylindazol-6-yl]methoxy]phenyl]acetate;ethyl 2-[2-[(4-bromo-1-methylindazol-6-yl)methoxy]phenyl]acetate;ethyl 2-[2-[[4-(2-ethyl-4-pyridinyl)-1-methylindazol-6-yl]methoxy]phenyl]acetate;2,2,2-trifluoroacetaldehyde;hydroxide?

lithium;2-[2-[[4-[2-(aminomethyl)-4-pyridinyl]-1-methylindazol-6-yl]methoxy]phenyl]acetic acid;tert-butyl N-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]methyl]carbamate;ethyl 2-[2-[[4-[2-(aminomethyl)-4-pyridinyl]-1-methylindazol-6-yl]methoxy]phenyl]acetate;ethyl 2-[2-[(4-bromo-1-methylindazol-6-yl)methoxy]phenyl]acetate;ethyl 2-[2-[[4-(2-ethyl-4-pyridinyl)-1-methylindazol-6-yl]methoxy]phenyl]acetate;2,2,2-trifluoroacetaldehyde;hydroxide has a molecular weight of 2121.95 g/mol, XLogP of 15.96, 32 rotatable bonds, 4 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for lithium;2-[2-[[4-[2-(aminomethyl)-4-pyridinyl]-1-methylindazol-6-yl]methoxy]phenyl]acetic acid;tert-butyl N-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]methyl]carbamate;ethyl 2-[2-[[4-[2-(aminomethyl)-4-pyridinyl]-1-methylindazol-6-yl]methoxy]phenyl]acetate;ethyl 2-[2-[(4-bromo-1-methylindazol-6-yl)methoxy]phenyl]acetate;ethyl 2-[2-[[4-(2-ethyl-4-pyridinyl)-1-methylindazol-6-yl]methoxy]phenyl]acetate;2,2,2-trifluoroacetaldehyde;hydroxide is sourced from PubChem (CID 161045672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).