2-bromo-6-(1-methylindazol-5-yl)pyridin-3-amine;N-[2-bromo-6-(1-methylindazol-5-yl)-3-pyridinyl]-2,2,2-trifluoroacetamide;6-bromopyridin-3-amine;ethyl (2S)-2-[2-bromo-7-(4-chlorophenyl)-5-methyl-1,3-benzothiazol-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetate;(1-methylindazol-5-yl)boronic acid;6-(1-methylindazol-5-yl)pyridin-3-amine

C76H70BBr4ClF3N17O6S — CID 157399784

About 2-bromo-6-(1-methylindazol-5-yl)pyridin-3-amine;N-[2-bromo-6-(1-methylindazol-5-yl)-3-pyridinyl]-2,2,2-trifluoroacetamide;6-bromopyridin-3-amine;ethyl (2S)-2-[2-bromo-7-(4-chlorophenyl)-5-methyl-1,3-benzothiazol-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetate;(1-methylindazol-5-yl)boronic acid;6-(1-methylindazol-5-yl)pyridin-3-amine

2-bromo-6-(1-methylindazol-5-yl)pyridin-3-amine;N-[2-bromo-6-(1-methylindazol-5-yl)-3-pyridinyl]-2,2,2-trifluoroacetamide;6-bromopyridin-3-amine;ethyl (2S)-2-[2-bromo-7-(4-chlorophenyl)-5-methyl-1,3-benzothiazol-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetate;(1-methylindazol-5-yl)boronic acid;6-(1-methylindazol-5-yl)pyridin-3-amine (PubChem CID 157399784) has the molecular formula C76H70BBr4ClF3N17O6S and a molecular weight of 1772.45 g/mol. Its IUPAC name is 2-bromo-6-(1-methylindazol-5-yl)pyridin-3-amine;N-[2-bromo-6-(1-methylindazol-5-yl)-3-pyridinyl]-2,2,2-trifluoroacetamide;6-bromopyridin-3-amine;ethyl (2S)-2-[2-bromo-7-(4-chlorophenyl)-5-methyl-1,3-benzothiazol-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetate;(1-methylindazol-5-yl)boronic acid;6-(1-methylindazol-5-yl)pyridin-3-amine.

Molecular Properties

• Compound Name: 2-bromo-6-(1-methylindazol-5-yl)pyridin-3-amine;N-[2-bromo-6-(1-methylindazol-5-yl)-3-pyridinyl]-2,2,2-trifluoroacetamide;6-bromopyridin-3-amine;ethyl (2S)-2-[2-bromo-7-(4-chlorophenyl)-5-methyl-1,3-benzothiazol-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetate;(1-methylindazol-5-yl)boronic acid;6-(1-methylindazol-5-yl)pyridin-3-amine
• PubChem CID: 157399784
• Molecular Formula: C76H70BBr4ClF3N17O6S
• Molecular Weight: 1772.45 g/mol
• Exact Mass: 1767.19
• IUPAC Name: 2-bromo-6-(1-methylindazol-5-yl)pyridin-3-amine;N-[2-bromo-6-(1-methylindazol-5-yl)-3-pyridinyl]-2,2,2-trifluoroacetamide;6-bromopyridin-3-amine;ethyl (2S)-2-[2-bromo-7-(4-chlorophenyl)-5-methyl-1,3-benzothiazol-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetate;(1-methylindazol-5-yl)boronic acid;6-(1-methylindazol-5-yl)pyridin-3-amine
• SMILES: CCOC(=O)[C@@H](OC(C)(C)C)c1c(C)cc2nc(Br)sc2c1-c1ccc(Cl)cc1.Cn1ncc2cc(-c3ccc(N)c(Br)n3)ccc21.Cn1ncc2cc(-c3ccc(N)cn3)ccc21.Cn1ncc2cc(-c3ccc(NC(=O)C(F)(F)F)c(Br)n3)ccc21.Cn1ncc2cc(B(O)O)ccc21.Nc1ccc(Br)nc1
• InChI: InChI=1S/C22H23BrClNO3S.C15H10BrF3N4O.C13H11BrN4.C13H12N4.C8H9BN2O2.C5H5BrN2/c1-6-27-20(26)18(28-22(3,4)5)16-12(2)11-15-19(29-21(23)25-15)17(16)13-7-9-14(24)10-8-13;1-23-12-5-2-8(6-9(12)7-20-23)10-3-4-11(13(16)21-10)22-14(24)15(17,18)19;1-18-12-5-2-8(6-9(12)7-16-18)11-4-3-10(15)13(14)17-11;1-17-13-5-2-9(6-10(13)7-16-17)12-4-3-11(14)8-15-12;1-11-8-3-2-7(9(12)13)4-6(8)5-10-11;6-5-2-1-4(7)3-8-5/h7-11,18H,6H2,1-5H3;2-7H,1H3,(H,22,24);2-7H,15H2,1H3;2-8H,14H2,1H3;2-5,12-13H,1H3;1-3H,7H2/t18-;;;;;/m0...../s1
• InChIKey: BMZYMIOGVVFUCE-BRHJORIOSA-N
• XLogP: 16.88
• TPSA: 318.88 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 23
• Rotatable Bonds: 10
• Heavy Atoms: 109
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1772.45
LogP ≤ 5	16.88
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-(1-methylindazol-5-yl)pyridin-3-amine;N-[2-bromo-6-(1-methylindazol-5-yl)-3-pyridinyl]-2,2,2-trifluoroacetamide;6-bromopyridin-3-amine;ethyl (2S)-2-[2-bromo-7-(4-chlorophenyl)-5-methyl-1,3-benzothiazol-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetate;(1-methylindazol-5-yl)boronic acid;6-(1-methylindazol-5-yl)pyridin-3-amine?

The IUPAC name of 2-bromo-6-(1-methylindazol-5-yl)pyridin-3-amine;N-[2-bromo-6-(1-methylindazol-5-yl)-3-pyridinyl]-2,2,2-trifluoroacetamide;6-bromopyridin-3-amine;ethyl (2S)-2-[2-bromo-7-(4-chlorophenyl)-5-methyl-1,3-benzothiazol-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetate;(1-methylindazol-5-yl)boronic acid;6-(1-methylindazol-5-yl)pyridin-3-amine (CID 157399784) is 2-bromo-6-(1-methylindazol-5-yl)pyridin-3-amine;N-[2-bromo-6-(1-methylindazol-5-yl)-3-pyridinyl]-2,2,2-trifluoroacetamide;6-bromopyridin-3-amine;ethyl (2S)-2-[2-bromo-7-(4-chlorophenyl)-5-methyl-1,3-benzothiazol-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetate;(1-methylindazol-5-yl)boronic acid;6-(1-methylindazol-5-yl)pyridin-3-amine.

What is the SMILES notation for 2-bromo-6-(1-methylindazol-5-yl)pyridin-3-amine;N-[2-bromo-6-(1-methylindazol-5-yl)-3-pyridinyl]-2,2,2-trifluoroacetamide;6-bromopyridin-3-amine;ethyl (2S)-2-[2-bromo-7-(4-chlorophenyl)-5-methyl-1,3-benzothiazol-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetate;(1-methylindazol-5-yl)boronic acid;6-(1-methylindazol-5-yl)pyridin-3-amine?

The canonical SMILES for 2-bromo-6-(1-methylindazol-5-yl)pyridin-3-amine;N-[2-bromo-6-(1-methylindazol-5-yl)-3-pyridinyl]-2,2,2-trifluoroacetamide;6-bromopyridin-3-amine;ethyl (2S)-2-[2-bromo-7-(4-chlorophenyl)-5-methyl-1,3-benzothiazol-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetate;(1-methylindazol-5-yl)boronic acid;6-(1-methylindazol-5-yl)pyridin-3-amine is CCOC(=O)[C@@H](OC(C)(C)C)c1c(C)cc2nc(Br)sc2c1-c1ccc(Cl)cc1.Cn1ncc2cc(-c3ccc(N)c(Br)n3)ccc21.Cn1ncc2cc(-c3ccc(N)cn3)ccc21.Cn1ncc2cc(-c3ccc(NC(=O)C(F)(F)F)c(Br)n3)ccc21.Cn1ncc2cc(B(O)O)ccc21.Nc1ccc(Br)nc1.

What is the InChIKey of 2-bromo-6-(1-methylindazol-5-yl)pyridin-3-amine;N-[2-bromo-6-(1-methylindazol-5-yl)-3-pyridinyl]-2,2,2-trifluoroacetamide;6-bromopyridin-3-amine;ethyl (2S)-2-[2-bromo-7-(4-chlorophenyl)-5-methyl-1,3-benzothiazol-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetate;(1-methylindazol-5-yl)boronic acid;6-(1-methylindazol-5-yl)pyridin-3-amine?

The InChIKey is BMZYMIOGVVFUCE-BRHJORIOSA-N. The full InChI is InChI=1S/C22H23BrClNO3S.C15H10BrF3N4O.C13H11BrN4.C13H12N4.C8H9BN2O2.C5H5BrN2/c1-6-27-20(26)18(28-22(3,4)5)16-12(2)11-15-19(29-21(23)25-15)17(16)13-7-9-14(24)10-8-13;1-23-12-5-2-8(6-9(12)7-20-23)10-3-4-11(13(16)21-10)22-14(24)15(17,18)19;1-18-12-5-2-8(6-9(12)7-16-18)11-4-3-10(15)13(14)17-11;1-17-13-5-2-9(6-10(13)7-16-17)12-4-3-11(14)8-15-12;1-11-8-3-2-7(9(12)13)4-6(8)5-10-11;6-5-2-1-4(7)3-8-5/h7-11,18H,6H2,1-5H3;2-7H,1H3,(H,22,24);2-7H,15H2,1H3;2-8H,14H2,1H3;2-5,12-13H,1H3;1-3H,7H2/t18-;;;;;/m0...../s1.

What are the key properties of 2-bromo-6-(1-methylindazol-5-yl)pyridin-3-amine;N-[2-bromo-6-(1-methylindazol-5-yl)-3-pyridinyl]-2,2,2-trifluoroacetamide;6-bromopyridin-3-amine;ethyl (2S)-2-[2-bromo-7-(4-chlorophenyl)-5-methyl-1,3-benzothiazol-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetate;(1-methylindazol-5-yl)boronic acid;6-(1-methylindazol-5-yl)pyridin-3-amine?

2-bromo-6-(1-methylindazol-5-yl)pyridin-3-amine;N-[2-bromo-6-(1-methylindazol-5-yl)-3-pyridinyl]-2,2,2-trifluoroacetamide;6-bromopyridin-3-amine;ethyl (2S)-2-[2-bromo-7-(4-chlorophenyl)-5-methyl-1,3-benzothiazol-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetate;(1-methylindazol-5-yl)boronic acid;6-(1-methylindazol-5-yl)pyridin-3-amine has a molecular weight of 1772.45 g/mol, XLogP of 16.88, 10 rotatable bonds, 6 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 2-bromo-6-(1-methylindazol-5-yl)pyridin-3-amine;N-[2-bromo-6-(1-methylindazol-5-yl)-3-pyridinyl]-2,2,2-trifluoroacetamide;6-bromopyridin-3-amine;ethyl (2S)-2-[2-bromo-7-(4-chlorophenyl)-5-methyl-1,3-benzothiazol-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetate;(1-methylindazol-5-yl)boronic acid;6-(1-methylindazol-5-yl)pyridin-3-amine is sourced from PubChem (CID 157399784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).