N-[2-(6-bromo-2-pyridinyl)propan-2-yl]acetamide;1-(6-methyl-2-pyridinyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;N-[2-[6-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]-2-pyridinyl]propan-2-yl]acetamide

C52H55BBrF3N10O4 — CID 161207597

About N-[2-(6-bromo-2-pyridinyl)propan-2-yl]acetamide;1-(6-methyl-2-pyridinyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;N-[2-[6-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]-2-pyridinyl]propan-2-yl]acetamide

N-[2-(6-bromo-2-pyridinyl)propan-2-yl]acetamide;1-(6-methyl-2-pyridinyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;N-[2-[6-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]-2-pyridinyl]propan-2-yl]acetamide (PubChem CID 161207597) has the molecular formula C52H55BBrF3N10O4 and a molecular weight of 1031.79 g/mol. Its IUPAC name is N-[2-(6-bromo-2-pyridinyl)propan-2-yl]acetamide;1-(6-methyl-2-pyridinyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;N-[2-[6-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]-2-pyridinyl]propan-2-yl]acetamide.

Molecular Properties

• Compound Name: N-[2-(6-bromo-2-pyridinyl)propan-2-yl]acetamide;1-(6-methyl-2-pyridinyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;N-[2-[6-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]-2-pyridinyl]propan-2-yl]acetamide
• PubChem CID: 161207597
• Molecular Formula: C52H55BBrF3N10O4
• Molecular Weight: 1031.79 g/mol
• Exact Mass: 1030.36
• IUPAC Name: N-[2-(6-bromo-2-pyridinyl)propan-2-yl]acetamide;1-(6-methyl-2-pyridinyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;N-[2-[6-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]-2-pyridinyl]propan-2-yl]acetamide
• SMILES: CC(=O)NC(C)(C)c1cccc(-c2ccc3cnn(-c4cccc(C(F)(F)F)n4)c3c2)n1.CC(=O)NC(C)(C)c1cccc(Br)n1.Cc1cccc(-n2ncc3ccc(B4OC(C)(C)C(C)(C)O4)cc32)n1
• InChI: InChI=1S/C23H20F3N5O.C19H22BN3O2.C10H13BrN2O/c1-14(32)30-22(2,3)19-7-4-6-17(28-19)15-10-11-16-13-27-31(18(16)12-15)21-9-5-8-20(29-21)23(24,25)26;1-13-7-6-8-17(22-13)23-16-11-15(10-9-14(16)12-21-23)20-24-18(2,3)19(4,5)25-20;1-7(14)13-10(2,3)8-5-4-6-9(11)12-8/h4-13H,1-3H3,(H,30,32);6-12H,1-5H3;4-6H,1-3H3,(H,13,14)
• InChIKey: UVUVGGOCFJUDHH-UHFFFAOYSA-N
• XLogP: 10.12
• TPSA: 163.86 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 12
• Rotatable Bonds: 8
• Heavy Atoms: 71
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1031.79
LogP ≤ 5	10.12
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	12

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 N-[2-(6-bromo-2-pyridinyl)propan-2-yl]acetamide;1-(6-methyl-2-pyridinyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;N-[2-[6-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]-2-pyridinyl]propan-2-yl]acetamide?

The IUPAC name of N-[2-(6-bromo-2-pyridinyl)propan-2-yl]acetamide;1-(6-methyl-2-pyridinyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;N-[2-[6-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]-2-pyridinyl]propan-2-yl]acetamide (CID 161207597) is N-[2-(6-bromo-2-pyridinyl)propan-2-yl]acetamide;1-(6-methyl-2-pyridinyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;N-[2-[6-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]-2-pyridinyl]propan-2-yl]acetamide.

What is the SMILES notation for N-[2-(6-bromo-2-pyridinyl)propan-2-yl]acetamide;1-(6-methyl-2-pyridinyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;N-[2-[6-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]-2-pyridinyl]propan-2-yl]acetamide?

The canonical SMILES for N-[2-(6-bromo-2-pyridinyl)propan-2-yl]acetamide;1-(6-methyl-2-pyridinyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;N-[2-[6-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]-2-pyridinyl]propan-2-yl]acetamide is CC(=O)NC(C)(C)c1cccc(-c2ccc3cnn(-c4cccc(C(F)(F)F)n4)c3c2)n1.CC(=O)NC(C)(C)c1cccc(Br)n1.Cc1cccc(-n2ncc3ccc(B4OC(C)(C)C(C)(C)O4)cc32)n1.

What is the InChIKey of N-[2-(6-bromo-2-pyridinyl)propan-2-yl]acetamide;1-(6-methyl-2-pyridinyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;N-[2-[6-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]-2-pyridinyl]propan-2-yl]acetamide?

The InChIKey is UVUVGGOCFJUDHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F3N5O.C19H22BN3O2.C10H13BrN2O/c1-14(32)30-22(2,3)19-7-4-6-17(28-19)15-10-11-16-13-27-31(18(16)12-15)21-9-5-8-20(29-21)23(24,25)26;1-13-7-6-8-17(22-13)23-16-11-15(10-9-14(16)12-21-23)20-24-18(2,3)19(4,5)25-20;1-7(14)13-10(2,3)8-5-4-6-9(11)12-8/h4-13H,1-3H3,(H,30,32);6-12H,1-5H3;4-6H,1-3H3,(H,13,14).

What are the key properties of N-[2-(6-bromo-2-pyridinyl)propan-2-yl]acetamide;1-(6-methyl-2-pyridinyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;N-[2-[6-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]-2-pyridinyl]propan-2-yl]acetamide?

N-[2-(6-bromo-2-pyridinyl)propan-2-yl]acetamide;1-(6-methyl-2-pyridinyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;N-[2-[6-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]-2-pyridinyl]propan-2-yl]acetamide has a molecular weight of 1031.79 g/mol, XLogP of 10.12, 8 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(6-bromo-2-pyridinyl)propan-2-yl]acetamide;1-(6-methyl-2-pyridinyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;N-[2-[6-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]-2-pyridinyl]propan-2-yl]acetamide is sourced from PubChem (CID 161207597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).