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-[[1-methyl-4-[2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-4-pyridinyl]indazol-6-yl]methoxy]phenyl]acetate;hydroxide

C114H129BBrLiN16O19 — CID 167671956

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-[[1-methyl-4-[2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-4-pyridinyl]indazol-6-yl]methoxy]phenyl]acetate;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-[[1-methyl-4-[2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-4-pyridinyl]indazol-6-yl]methoxy]phenyl]acetate;hydroxide (PubChem CID 167671956) has the molecular formula C114H129BBrLiN16O19 and a molecular weight of 2125.04 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-[[1-methyl-4-[2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-4-pyridinyl]indazol-6-yl]methoxy]phenyl]acetate;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-[[1-methyl-4-[2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-4-pyridinyl]indazol-6-yl]methoxy]phenyl]acetate;hydroxide
• PubChem CID: 167671956
• Molecular Formula: C114H129BBrLiN16O19
• Molecular Weight: 2125.04 g/mol
• Exact Mass: 2122.91
• 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-[[1-methyl-4-[2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-4-pyridinyl]indazol-6-yl]methoxy]phenyl]acetate;hydroxide
• SMILES: CC(C)(C)OC(=O)NCc1cc(B2OC(C)(C)C(C)(C)O2)ccn1.CCOC(=O)Cc1ccccc1OCc1cc(-c2ccnc(CN)c2)c2cnn(C)c2c1.CCOC(=O)Cc1ccccc1OCc1cc(-c2ccnc(CNC(=O)OC(C)(C)C)c2)c2cnn(C)c2c1.CCOC(=O)Cc1ccccc1OCc1cc(Br)c2cnn(C)c2c1.Cn1ncc2c(-c3ccnc(CN)c3)cc(COc3ccccc3CC(=O)O)cc21.[Li+].[OH-]
• InChI: InChI=1S/C30H34N4O5.C25H26N4O3.C23H22N4O3.C19H19BrN2O3.C17H27BN2O4.Li.H2O/c1-6-37-28(35)16-22-9-7-8-10-27(22)38-19-20-13-24(25-18-33-34(5)26(25)14-20)21-11-12-31-23(15-21)17-32-29(36)39-30(2,3)4;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;;/h7-15,18H,6,16-17,19H2,1-5H3,(H,32,36);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);;1H2/q;;;;;+1;/p-1
• InChIKey: UGBAMXHADYCIOH-UHFFFAOYSA-M
• XLogP: 15.68
• TPSA: 453.12 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 32
• Rotatable Bonds: 33
• Heavy Atoms: 152
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2125.04
LogP ≤ 5	15.68
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	32

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-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-[[1-methyl-4-[2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-4-pyridinyl]indazol-6-yl]methoxy]phenyl]acetate;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-[[1-methyl-4-[2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-4-pyridinyl]indazol-6-yl]methoxy]phenyl]acetate;hydroxide (CID 167671956) 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-[[1-methyl-4-[2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-4-pyridinyl]indazol-6-yl]methoxy]phenyl]acetate;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-[[1-methyl-4-[2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-4-pyridinyl]indazol-6-yl]methoxy]phenyl]acetate;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-[[1-methyl-4-[2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-4-pyridinyl]indazol-6-yl]methoxy]phenyl]acetate;hydroxide is CC(C)(C)OC(=O)NCc1cc(B2OC(C)(C)C(C)(C)O2)ccn1.CCOC(=O)Cc1ccccc1OCc1cc(-c2ccnc(CN)c2)c2cnn(C)c2c1.CCOC(=O)Cc1ccccc1OCc1cc(-c2ccnc(CNC(=O)OC(C)(C)C)c2)c2cnn(C)c2c1.CCOC(=O)Cc1ccccc1OCc1cc(Br)c2cnn(C)c2c1.Cn1ncc2c(-c3ccnc(CN)c3)cc(COc3ccccc3CC(=O)O)cc21.[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-[[1-methyl-4-[2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-4-pyridinyl]indazol-6-yl]methoxy]phenyl]acetate;hydroxide?

The InChIKey is UGBAMXHADYCIOH-UHFFFAOYSA-M. The full InChI is InChI=1S/C30H34N4O5.C25H26N4O3.C23H22N4O3.C19H19BrN2O3.C17H27BN2O4.Li.H2O/c1-6-37-28(35)16-22-9-7-8-10-27(22)38-19-20-13-24(25-18-33-34(5)26(25)14-20)21-11-12-31-23(15-21)17-32-29(36)39-30(2,3)4;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;;/h7-15,18H,6,16-17,19H2,1-5H3,(H,32,36);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);;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-[[1-methyl-4-[2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-4-pyridinyl]indazol-6-yl]methoxy]phenyl]acetate;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-[[1-methyl-4-[2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-4-pyridinyl]indazol-6-yl]methoxy]phenyl]acetate;hydroxide has a molecular weight of 2125.04 g/mol, XLogP of 15.68, 33 rotatable bonds, 5 hydrogen bond donors, and 32 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-[[1-methyl-4-[2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-4-pyridinyl]indazol-6-yl]methoxy]phenyl]acetate;hydroxide is sourced from PubChem (CID 167671956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).