2-[4-(5-acetyl-7H-cyclopenta[b]pyridin-3-yl)-2-fluorophenyl]-N-[2-(trifluoromethyl)-4-pyridinyl]acetamide;1-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone;2-[2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetic acid;2-[2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-N-[2-(trifluoromethyl)-4-pyridinyl]acetamide;2-(trifluoromethyl)pyridin-4-amine

C₇₃H₆₈B₂BrF₁₂N₉O₁₀ — CID 159877021

About 2-[4-(5-acetyl-7H-cyclopenta[b]pyridin-3-yl)-2-fluorophenyl]-N-[2-(trifluoromethyl)-4-pyridinyl]acetamide;1-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone;2-[2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetic acid;2-[2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-N-[2-(trifluoromethyl)-4-pyridinyl]acetamide;2-(trifluoromethyl)pyridin-4-amine

2-[4-(5-acetyl-7H-cyclopenta[b]pyridin-3-yl)-2-fluorophenyl]-N-[2-(trifluoromethyl)-4-pyridinyl]acetamide;1-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone;2-[2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetic acid;2-[2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-N-[2-(trifluoromethyl)-4-pyridinyl]acetamide;2-(trifluoromethyl)pyridin-4-amine (PubChem CID 159877021) has the molecular formula C₇₃H₆₈B₂BrF₁₂N₉O₁₀ and a molecular weight of 1560.90 g/mol. Its IUPAC name is 2-[4-(5-acetyl-7H-cyclopenta[b]pyridin-3-yl)-2-fluorophenyl]-N-[2-(trifluoromethyl)-4-pyridinyl]acetamide;1-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone;2-[2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetic acid;2-[2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-N-[2-(trifluoromethyl)-4-pyridinyl]acetamide;2-(trifluoromethyl)pyridin-4-amine.

Molecular Properties

• Compound Name: 2-[4-(5-acetyl-7H-cyclopenta[b]pyridin-3-yl)-2-fluorophenyl]-N-[2-(trifluoromethyl)-4-pyridinyl]acetamide;1-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone;2-[2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetic acid;2-[2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-N-[2-(trifluoromethyl)-4-pyridinyl]acetamide;2-(trifluoromethyl)pyridin-4-amine
• PubChem CID: 159877021
• Molecular Formula: C₇₃H₆₈B₂BrF₁₂N₉O₁₀
• Molecular Weight: 1560.90 g/mol
• Exact Mass: 1559.43
• IUPAC Name: 2-[4-(5-acetyl-7H-cyclopenta[b]pyridin-3-yl)-2-fluorophenyl]-N-[2-(trifluoromethyl)-4-pyridinyl]acetamide;1-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone;2-[2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetic acid;2-[2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-N-[2-(trifluoromethyl)-4-pyridinyl]acetamide;2-(trifluoromethyl)pyridin-4-amine
• SMILES: CC(=O)C1=CCc2ncc(-c3ccc(CC(=O)Nc4ccnc(C(F)(F)F)c4)c(F)c3)cc21.CC(=O)c1c[nH]c2ncc(Br)cc12.CC1(C)OB(c2ccc(CC(=O)Nc3ccnc(C(F)(F)F)c3)c(F)c2)OC1(C)C.CC1(C)OB(c2ccc(CC(=O)O)c(F)c2)OC1(C)C.Nc1ccnc(C(F)(F)F)c1
• InChI: InChI=1S/C24H17F4N3O2.C20H21BF4N2O3.C14H18BFO4.C9H7BrN2O.C6H5F3N2/c1-13(32)18-4-5-21-19(18)8-16(12-30-21)14-2-3-15(20(25)9-14)10-23(33)31-17-6-7-29-22(11-17)24(26,27)28;1-18(2)19(3,4)30-21(29-18)13-6-5-12(15(22)10-13)9-17(28)27-14-7-8-26-16(11-14)20(23,24)25;1-13(2)14(3,4)20-15(19-13)10-6-5-9(7-12(17)18)11(16)8-10;1-5(13)8-4-12-9-7(8)2-6(10)3-11-9;7-6(8,9)5-3-4(10)1-2-11-5/h2-4,6-9,11-12H,5,10H2,1H3,(H,29,31,33);5-8,10-11H,9H2,1-4H3,(H,26,27,28);5-6,8H,7H2,1-4H3,(H,17,18);2-4H,1H3,(H,11,12);1-3H,(H2,10,11)
• InChIKey: NTAOHKYMJJLENB-UHFFFAOYSA-N
• XLogP: 14.69
• TPSA: 272.82 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 15
• Rotatable Bonds: 13
• Heavy Atoms: 107
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1560.90
LogP ≤ 5	14.69
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-acetyl-7H-cyclopenta[b]pyridin-3-yl)-2-fluorophenyl]-N-[2-(trifluoromethyl)-4-pyridinyl]acetamide;1-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone;2-[2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetic acid;2-[2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-N-[2-(trifluoromethyl)-4-pyridinyl]acetamide;2-(trifluoromethyl)pyridin-4-amine?

The IUPAC name of 2-[4-(5-acetyl-7H-cyclopenta[b]pyridin-3-yl)-2-fluorophenyl]-N-[2-(trifluoromethyl)-4-pyridinyl]acetamide;1-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone;2-[2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetic acid;2-[2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-N-[2-(trifluoromethyl)-4-pyridinyl]acetamide;2-(trifluoromethyl)pyridin-4-amine (CID 159877021) is 2-[4-(5-acetyl-7H-cyclopenta[b]pyridin-3-yl)-2-fluorophenyl]-N-[2-(trifluoromethyl)-4-pyridinyl]acetamide;1-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone;2-[2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetic acid;2-[2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-N-[2-(trifluoromethyl)-4-pyridinyl]acetamide;2-(trifluoromethyl)pyridin-4-amine.

What is the SMILES notation for 2-[4-(5-acetyl-7H-cyclopenta[b]pyridin-3-yl)-2-fluorophenyl]-N-[2-(trifluoromethyl)-4-pyridinyl]acetamide;1-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone;2-[2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetic acid;2-[2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-N-[2-(trifluoromethyl)-4-pyridinyl]acetamide;2-(trifluoromethyl)pyridin-4-amine?

The canonical SMILES for 2-[4-(5-acetyl-7H-cyclopenta[b]pyridin-3-yl)-2-fluorophenyl]-N-[2-(trifluoromethyl)-4-pyridinyl]acetamide;1-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone;2-[2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetic acid;2-[2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-N-[2-(trifluoromethyl)-4-pyridinyl]acetamide;2-(trifluoromethyl)pyridin-4-amine is CC(=O)C1=CCc2ncc(-c3ccc(CC(=O)Nc4ccnc(C(F)(F)F)c4)c(F)c3)cc21.CC(=O)c1c[nH]c2ncc(Br)cc12.CC1(C)OB(c2ccc(CC(=O)Nc3ccnc(C(F)(F)F)c3)c(F)c2)OC1(C)C.CC1(C)OB(c2ccc(CC(=O)O)c(F)c2)OC1(C)C.Nc1ccnc(C(F)(F)F)c1.

What is the InChIKey of 2-[4-(5-acetyl-7H-cyclopenta[b]pyridin-3-yl)-2-fluorophenyl]-N-[2-(trifluoromethyl)-4-pyridinyl]acetamide;1-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone;2-[2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetic acid;2-[2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-N-[2-(trifluoromethyl)-4-pyridinyl]acetamide;2-(trifluoromethyl)pyridin-4-amine?

The InChIKey is NTAOHKYMJJLENB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17F4N3O2.C20H21BF4N2O3.C14H18BFO4.C9H7BrN2O.C6H5F3N2/c1-13(32)18-4-5-21-19(18)8-16(12-30-21)14-2-3-15(20(25)9-14)10-23(33)31-17-6-7-29-22(11-17)24(26,27)28;1-18(2)19(3,4)30-21(29-18)13-6-5-12(15(22)10-13)9-17(28)27-14-7-8-26-16(11-14)20(23,24)25;1-13(2)14(3,4)20-15(19-13)10-6-5-9(7-12(17)18)11(16)8-10;1-5(13)8-4-12-9-7(8)2-6(10)3-11-9;7-6(8,9)5-3-4(10)1-2-11-5/h2-4,6-9,11-12H,5,10H2,1H3,(H,29,31,33);5-8,10-11H,9H2,1-4H3,(H,26,27,28);5-6,8H,7H2,1-4H3,(H,17,18);2-4H,1H3,(H,11,12);1-3H,(H2,10,11).

What are the key properties of 2-[4-(5-acetyl-7H-cyclopenta[b]pyridin-3-yl)-2-fluorophenyl]-N-[2-(trifluoromethyl)-4-pyridinyl]acetamide;1-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone;2-[2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetic acid;2-[2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-N-[2-(trifluoromethyl)-4-pyridinyl]acetamide;2-(trifluoromethyl)pyridin-4-amine?

2-[4-(5-acetyl-7H-cyclopenta[b]pyridin-3-yl)-2-fluorophenyl]-N-[2-(trifluoromethyl)-4-pyridinyl]acetamide;1-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone;2-[2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetic acid;2-[2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-N-[2-(trifluoromethyl)-4-pyridinyl]acetamide;2-(trifluoromethyl)pyridin-4-amine has a molecular weight of 1560.90 g/mol, XLogP of 14.69, 13 rotatable bonds, 5 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-(5-acetyl-7H-cyclopenta[b]pyridin-3-yl)-2-fluorophenyl]-N-[2-(trifluoromethyl)-4-pyridinyl]acetamide;1-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone;2-[2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetic acid;2-[2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-N-[2-(trifluoromethyl)-4-pyridinyl]acetamide;2-(trifluoromethyl)pyridin-4-amine is sourced from PubChem (CID 159877021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 159877021 — identifiers, structure, computed properties (public domain)

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