5-bromopyridin-3-amine;methyl 6-(5-amino-3-pyridinyl)-1-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxylate;methyl 6-(5-amino-3-pyridinyl)-2-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxylate;methyl 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxylate;methyl 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxylate

C87H75B2BrF12N18O12 — CID 157226222

About 5-bromopyridin-3-amine;methyl 6-(5-amino-3-pyridinyl)-1-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxylate;methyl 6-(5-amino-3-pyridinyl)-2-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxylate;methyl 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxylate;methyl 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxylate

5-bromopyridin-3-amine;methyl 6-(5-amino-3-pyridinyl)-1-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxylate;methyl 6-(5-amino-3-pyridinyl)-2-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxylate;methyl 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxylate;methyl 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxylate (PubChem CID 157226222) has the molecular formula C87H75B2BrF12N18O12 and a molecular weight of 1894.17 g/mol. Its IUPAC name is 5-bromopyridin-3-amine;methyl 6-(5-amino-3-pyridinyl)-1-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxylate;methyl 6-(5-amino-3-pyridinyl)-2-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxylate;methyl 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxylate;methyl 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxylate.

Molecular Properties

• Compound Name: 5-bromopyridin-3-amine;methyl 6-(5-amino-3-pyridinyl)-1-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxylate;methyl 6-(5-amino-3-pyridinyl)-2-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxylate;methyl 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxylate;methyl 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxylate
• PubChem CID: 157226222
• Molecular Formula: C87H75B2BrF12N18O12
• Molecular Weight: 1894.17 g/mol
• Exact Mass: 1892.50
• IUPAC Name: 5-bromopyridin-3-amine;methyl 6-(5-amino-3-pyridinyl)-1-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxylate;methyl 6-(5-amino-3-pyridinyl)-2-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxylate;methyl 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxylate;methyl 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxylate
• SMILES: COC(=O)c1cc(-c2cncc(N)c2)cc2c1cnn2-c1cccc(C(F)(F)F)n1.COC(=O)c1cc(-c2cncc(N)c2)cc2nn(-c3cccc(C(F)(F)F)n3)cc12.COC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cc2c1cnn2-c1cccc(C(F)(F)F)n1.COC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cc2nn(-c3cccc(C(F)(F)F)n3)cc12.Nc1cncc(Br)c1
• InChI: InChI=1S/2C21H21BF3N3O4.2C20H14F3N5O2.C5H5BrN2/c1-19(2)20(3,4)32-22(31-19)12-9-13(18(29)30-5)14-11-28(27-15(14)10-12)17-8-6-7-16(26-17)21(23,24)25;1-19(2)20(3,4)32-22(31-19)12-9-13(18(29)30-5)14-11-26-28(15(14)10-12)17-8-6-7-16(27-17)21(23,24)25;1-30-19(29)14-6-11(12-5-13(24)9-25-8-12)7-16-15(14)10-28(27-16)18-4-2-3-17(26-18)20(21,22)23;1-30-19(29)14-6-11(12-5-13(24)9-25-8-12)7-16-15(14)10-26-28(16)18-4-2-3-17(27-18)20(21,22)23;6-4-1-5(7)3-8-2-4/h2*6-11H,1-5H3;2*2-10H,24H2,1H3;1-3H,7H2
• InChIKey: ATOJTCWPQHZMCW-UHFFFAOYSA-N
• XLogP: 16.22
• TPSA: 381.69 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 30
• Rotatable Bonds: 12
• Heavy Atoms: 132
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1894.17
LogP ≤ 5	16.22
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	30

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 5-bromopyridin-3-amine;methyl 6-(5-amino-3-pyridinyl)-1-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxylate;methyl 6-(5-amino-3-pyridinyl)-2-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxylate;methyl 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxylate;methyl 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxylate?

The IUPAC name of 5-bromopyridin-3-amine;methyl 6-(5-amino-3-pyridinyl)-1-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxylate;methyl 6-(5-amino-3-pyridinyl)-2-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxylate;methyl 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxylate;methyl 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxylate (CID 157226222) is 5-bromopyridin-3-amine;methyl 6-(5-amino-3-pyridinyl)-1-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxylate;methyl 6-(5-amino-3-pyridinyl)-2-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxylate;methyl 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxylate;methyl 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxylate.

What is the SMILES notation for 5-bromopyridin-3-amine;methyl 6-(5-amino-3-pyridinyl)-1-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxylate;methyl 6-(5-amino-3-pyridinyl)-2-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxylate;methyl 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxylate;methyl 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxylate?

The canonical SMILES for 5-bromopyridin-3-amine;methyl 6-(5-amino-3-pyridinyl)-1-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxylate;methyl 6-(5-amino-3-pyridinyl)-2-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxylate;methyl 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxylate;methyl 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxylate is COC(=O)c1cc(-c2cncc(N)c2)cc2c1cnn2-c1cccc(C(F)(F)F)n1.COC(=O)c1cc(-c2cncc(N)c2)cc2nn(-c3cccc(C(F)(F)F)n3)cc12.COC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cc2c1cnn2-c1cccc(C(F)(F)F)n1.COC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cc2nn(-c3cccc(C(F)(F)F)n3)cc12.Nc1cncc(Br)c1.

What is the InChIKey of 5-bromopyridin-3-amine;methyl 6-(5-amino-3-pyridinyl)-1-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxylate;methyl 6-(5-amino-3-pyridinyl)-2-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxylate;methyl 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxylate;methyl 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxylate?

The InChIKey is ATOJTCWPQHZMCW-UHFFFAOYSA-N. The full InChI is InChI=1S/2C21H21BF3N3O4.2C20H14F3N5O2.C5H5BrN2/c1-19(2)20(3,4)32-22(31-19)12-9-13(18(29)30-5)14-11-28(27-15(14)10-12)17-8-6-7-16(26-17)21(23,24)25;1-19(2)20(3,4)32-22(31-19)12-9-13(18(29)30-5)14-11-26-28(15(14)10-12)17-8-6-7-16(27-17)21(23,24)25;1-30-19(29)14-6-11(12-5-13(24)9-25-8-12)7-16-15(14)10-28(27-16)18-4-2-3-17(26-18)20(21,22)23;1-30-19(29)14-6-11(12-5-13(24)9-25-8-12)7-16-15(14)10-26-28(16)18-4-2-3-17(27-18)20(21,22)23;6-4-1-5(7)3-8-2-4/h2*6-11H,1-5H3;2*2-10H,24H2,1H3;1-3H,7H2.

What are the key properties of 5-bromopyridin-3-amine;methyl 6-(5-amino-3-pyridinyl)-1-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxylate;methyl 6-(5-amino-3-pyridinyl)-2-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxylate;methyl 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxylate;methyl 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxylate?

5-bromopyridin-3-amine;methyl 6-(5-amino-3-pyridinyl)-1-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxylate;methyl 6-(5-amino-3-pyridinyl)-2-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxylate;methyl 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxylate;methyl 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxylate has a molecular weight of 1894.17 g/mol, XLogP of 16.22, 12 rotatable bonds, 3 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 5-bromopyridin-3-amine;methyl 6-(5-amino-3-pyridinyl)-1-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxylate;methyl 6-(5-amino-3-pyridinyl)-2-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxylate;methyl 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxylate;methyl 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxylate is sourced from PubChem (CID 157226222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).