lithium;4-[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-2-methylbenzoic acid;4-bromo-2-methylbenzoic acid;3-bromopyridin-2-amine;1-bromopyrrolidine-2,5-dione;methyl 4-(2-amino-5-bromo-3-pyridinyl)-2-methylbenzoate;methyl 4-[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-2-methylbenzoate;methyl 4-(2-amino-3-pyridinyl)-2-methylbenzoate;methyl 4-bromo-2-methylbenzoate;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;hydroxide

C122H145B4Br5LiN19O23 — CID 158445573

About lithium;4-[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-2-methylbenzoic acid;4-bromo-2-methylbenzoic acid;3-bromopyridin-2-amine;1-bromopyrrolidine-2,5-dione;methyl 4-(2-amino-5-bromo-3-pyridinyl)-2-methylbenzoate;methyl 4-[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-2-methylbenzoate;methyl 4-(2-amino-3-pyridinyl)-2-methylbenzoate;methyl 4-bromo-2-methylbenzoate;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;hydroxide

lithium;4-[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-2-methylbenzoic acid;4-bromo-2-methylbenzoic acid;3-bromopyridin-2-amine;1-bromopyrrolidine-2,5-dione;methyl 4-(2-amino-5-bromo-3-pyridinyl)-2-methylbenzoate;methyl 4-[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-2-methylbenzoate;methyl 4-(2-amino-3-pyridinyl)-2-methylbenzoate;methyl 4-bromo-2-methylbenzoate;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;hydroxide (PubChem CID 158445573) has the molecular formula C122H145B4Br5LiN19O23 and a molecular weight of 2695.32 g/mol. Its IUPAC name is lithium;4-[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-2-methylbenzoic acid;4-bromo-2-methylbenzoic acid;3-bromopyridin-2-amine;1-bromopyrrolidine-2,5-dione;methyl 4-(2-amino-5-bromo-3-pyridinyl)-2-methylbenzoate;methyl 4-[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-2-methylbenzoate;methyl 4-(2-amino-3-pyridinyl)-2-methylbenzoate;methyl 4-bromo-2-methylbenzoate;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;hydroxide.

Molecular Properties

• Compound Name: lithium;4-[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-2-methylbenzoic acid;4-bromo-2-methylbenzoic acid;3-bromopyridin-2-amine;1-bromopyrrolidine-2,5-dione;methyl 4-(2-amino-5-bromo-3-pyridinyl)-2-methylbenzoate;methyl 4-[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-2-methylbenzoate;methyl 4-(2-amino-3-pyridinyl)-2-methylbenzoate;methyl 4-bromo-2-methylbenzoate;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;hydroxide
• PubChem CID: 158445573
• Molecular Formula: C122H145B4Br5LiN19O23
• Molecular Weight: 2695.32 g/mol
• Exact Mass: 2689.72
• IUPAC Name: lithium;4-[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-2-methylbenzoic acid;4-bromo-2-methylbenzoic acid;3-bromopyridin-2-amine;1-bromopyrrolidine-2,5-dione;methyl 4-(2-amino-5-bromo-3-pyridinyl)-2-methylbenzoate;methyl 4-[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-2-methylbenzoate;methyl 4-(2-amino-3-pyridinyl)-2-methylbenzoate;methyl 4-bromo-2-methylbenzoate;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;hydroxide
• SMILES: CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CC1(C)OB(c2cccnc2N)OC1(C)C.COC(=O)c1ccc(-c2cc(-c3cnn(C)c3)cnc2N)cc1C.COC(=O)c1ccc(-c2cc(Br)cnc2N)cc1C.COC(=O)c1ccc(-c2cccnc2N)cc1C.COC(=O)c1ccc(Br)cc1C.Cc1cc(-c2cc(-c3cnn(C)c3)cnc2N)ccc1C(=O)O.Cc1cc(Br)ccc1C(=O)O.Cn1cc(B2OC(C)(C)C(C)(C)O2)cn1.Nc1ncccc1Br.O=C1CCC(=O)N1Br.[Li+].[OH-]
• InChI: InChI=1S/C18H18N4O2.C17H16N4O2.C14H13BrN2O2.C14H14N2O2.C12H24B2O4.C11H17BN2O2.C10H17BN2O2.C9H9BrO2.C8H7BrO2.C5H5BrN2.C4H4BrNO2.Li.H2O/c1-11-6-12(4-5-15(11)18(23)24-3)16-7-13(8-20-17(16)19)14-9-21-22(2)10-14;1-10-5-11(3-4-14(10)17(22)23)15-6-12(7-19-16(15)18)13-8-20-21(2)9-13;1-8-5-9(3-4-11(8)14(18)19-2)12-6-10(15)7-17-13(12)16;1-9-8-10(5-6-11(9)14(17)18-2)12-4-3-7-16-13(12)15;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;1-10(2)11(3,4)16-12(15-10)8-6-5-7-14-9(8)13;1-9(2)10(3,4)15-11(14-9)8-6-12-13(5)7-8;1-6-5-7(10)3-4-8(6)9(11)12-2;1-5-4-6(9)2-3-7(5)8(10)11;6-4-2-1-3-8-5(4)7;5-6-3(7)1-2-4(6)8;;/h4-10H,1-3H3,(H2,19,20);3-9H,1-2H3,(H2,18,19)(H,22,23);3-7H,1-2H3,(H2,16,17);3-8H,1-2H3,(H2,15,16);1-8H3;5-7H,1-4H3,(H2,13,14);6-7H,1-5H3;3-5H,1-2H3;2-4H,1H3,(H,10,11);1-3H,(H2,7,8);1-2H2;;1H2/q;;;;;;;;;;;+1;/p-1
• InChIKey: HDISBEFMSUPNJE-UHFFFAOYSA-M
• XLogP: 18.81
• TPSA: 607.94 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 39
• Rotatable Bonds: 15
• Heavy Atoms: 174
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2695.32
LogP ≤ 5	18.81
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	39

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of lithium;4-[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-2-methylbenzoic acid;4-bromo-2-methylbenzoic acid;3-bromopyridin-2-amine;1-bromopyrrolidine-2,5-dione;methyl 4-(2-amino-5-bromo-3-pyridinyl)-2-methylbenzoate;methyl 4-[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-2-methylbenzoate;methyl 4-(2-amino-3-pyridinyl)-2-methylbenzoate;methyl 4-bromo-2-methylbenzoate;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;hydroxide?

The IUPAC name of lithium;4-[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-2-methylbenzoic acid;4-bromo-2-methylbenzoic acid;3-bromopyridin-2-amine;1-bromopyrrolidine-2,5-dione;methyl 4-(2-amino-5-bromo-3-pyridinyl)-2-methylbenzoate;methyl 4-[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-2-methylbenzoate;methyl 4-(2-amino-3-pyridinyl)-2-methylbenzoate;methyl 4-bromo-2-methylbenzoate;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;hydroxide (CID 158445573) is lithium;4-[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-2-methylbenzoic acid;4-bromo-2-methylbenzoic acid;3-bromopyridin-2-amine;1-bromopyrrolidine-2,5-dione;methyl 4-(2-amino-5-bromo-3-pyridinyl)-2-methylbenzoate;methyl 4-[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-2-methylbenzoate;methyl 4-(2-amino-3-pyridinyl)-2-methylbenzoate;methyl 4-bromo-2-methylbenzoate;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;hydroxide.

What is the SMILES notation for lithium;4-[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-2-methylbenzoic acid;4-bromo-2-methylbenzoic acid;3-bromopyridin-2-amine;1-bromopyrrolidine-2,5-dione;methyl 4-(2-amino-5-bromo-3-pyridinyl)-2-methylbenzoate;methyl 4-[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-2-methylbenzoate;methyl 4-(2-amino-3-pyridinyl)-2-methylbenzoate;methyl 4-bromo-2-methylbenzoate;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;hydroxide?

The canonical SMILES for lithium;4-[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-2-methylbenzoic acid;4-bromo-2-methylbenzoic acid;3-bromopyridin-2-amine;1-bromopyrrolidine-2,5-dione;methyl 4-(2-amino-5-bromo-3-pyridinyl)-2-methylbenzoate;methyl 4-[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-2-methylbenzoate;methyl 4-(2-amino-3-pyridinyl)-2-methylbenzoate;methyl 4-bromo-2-methylbenzoate;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;hydroxide is CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CC1(C)OB(c2cccnc2N)OC1(C)C.COC(=O)c1ccc(-c2cc(-c3cnn(C)c3)cnc2N)cc1C.COC(=O)c1ccc(-c2cc(Br)cnc2N)cc1C.COC(=O)c1ccc(-c2cccnc2N)cc1C.COC(=O)c1ccc(Br)cc1C.Cc1cc(-c2cc(-c3cnn(C)c3)cnc2N)ccc1C(=O)O.Cc1cc(Br)ccc1C(=O)O.Cn1cc(B2OC(C)(C)C(C)(C)O2)cn1.Nc1ncccc1Br.O=C1CCC(=O)N1Br.[Li+].[OH-].

What is the InChIKey of lithium;4-[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-2-methylbenzoic acid;4-bromo-2-methylbenzoic acid;3-bromopyridin-2-amine;1-bromopyrrolidine-2,5-dione;methyl 4-(2-amino-5-bromo-3-pyridinyl)-2-methylbenzoate;methyl 4-[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-2-methylbenzoate;methyl 4-(2-amino-3-pyridinyl)-2-methylbenzoate;methyl 4-bromo-2-methylbenzoate;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;hydroxide?

The InChIKey is HDISBEFMSUPNJE-UHFFFAOYSA-M. The full InChI is InChI=1S/C18H18N4O2.C17H16N4O2.C14H13BrN2O2.C14H14N2O2.C12H24B2O4.C11H17BN2O2.C10H17BN2O2.C9H9BrO2.C8H7BrO2.C5H5BrN2.C4H4BrNO2.Li.H2O/c1-11-6-12(4-5-15(11)18(23)24-3)16-7-13(8-20-17(16)19)14-9-21-22(2)10-14;1-10-5-11(3-4-14(10)17(22)23)15-6-12(7-19-16(15)18)13-8-20-21(2)9-13;1-8-5-9(3-4-11(8)14(18)19-2)12-6-10(15)7-17-13(12)16;1-9-8-10(5-6-11(9)14(17)18-2)12-4-3-7-16-13(12)15;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;1-10(2)11(3,4)16-12(15-10)8-6-5-7-14-9(8)13;1-9(2)10(3,4)15-11(14-9)8-6-12-13(5)7-8;1-6-5-7(10)3-4-8(6)9(11)12-2;1-5-4-6(9)2-3-7(5)8(10)11;6-4-2-1-3-8-5(4)7;5-6-3(7)1-2-4(6)8;;/h4-10H,1-3H3,(H2,19,20);3-9H,1-2H3,(H2,18,19)(H,22,23);3-7H,1-2H3,(H2,16,17);3-8H,1-2H3,(H2,15,16);1-8H3;5-7H,1-4H3,(H2,13,14);6-7H,1-5H3;3-5H,1-2H3;2-4H,1H3,(H,10,11);1-3H,(H2,7,8);1-2H2;;1H2/q;;;;;;;;;;;+1;/p-1.

What are the key properties of lithium;4-[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-2-methylbenzoic acid;4-bromo-2-methylbenzoic acid;3-bromopyridin-2-amine;1-bromopyrrolidine-2,5-dione;methyl 4-(2-amino-5-bromo-3-pyridinyl)-2-methylbenzoate;methyl 4-[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-2-methylbenzoate;methyl 4-(2-amino-3-pyridinyl)-2-methylbenzoate;methyl 4-bromo-2-methylbenzoate;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;hydroxide?

lithium;4-[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-2-methylbenzoic acid;4-bromo-2-methylbenzoic acid;3-bromopyridin-2-amine;1-bromopyrrolidine-2,5-dione;methyl 4-(2-amino-5-bromo-3-pyridinyl)-2-methylbenzoate;methyl 4-[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-2-methylbenzoate;methyl 4-(2-amino-3-pyridinyl)-2-methylbenzoate;methyl 4-bromo-2-methylbenzoate;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;hydroxide has a molecular weight of 2695.32 g/mol, XLogP of 18.81, 15 rotatable bonds, 8 hydrogen bond donors, and 39 hydrogen bond acceptors.

Where does this data come from?

All data for lithium;4-[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-2-methylbenzoic acid;4-bromo-2-methylbenzoic acid;3-bromopyridin-2-amine;1-bromopyrrolidine-2,5-dione;methyl 4-(2-amino-5-bromo-3-pyridinyl)-2-methylbenzoate;methyl 4-[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-2-methylbenzoate;methyl 4-(2-amino-3-pyridinyl)-2-methylbenzoate;methyl 4-bromo-2-methylbenzoate;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;hydroxide is sourced from PubChem (CID 158445573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).