5-(5-bromo-1-methyl-6-oxo-3-pyridinyl)-2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;5-[5-(4-fluoro-1H-inden-2-yl)-1-methyl-6-oxo-3-pyridinyl]-2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;2-(4-fluoro-1H-inden-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

C72H66BBrF4N6O12S2 — CID 158902801

About 5-(5-bromo-1-methyl-6-oxo-3-pyridinyl)-2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;5-[5-(4-fluoro-1H-inden-2-yl)-1-methyl-6-oxo-3-pyridinyl]-2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;2-(4-fluoro-1H-inden-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

5-(5-bromo-1-methyl-6-oxo-3-pyridinyl)-2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;5-[5-(4-fluoro-1H-inden-2-yl)-1-methyl-6-oxo-3-pyridinyl]-2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;2-(4-fluoro-1H-inden-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (PubChem CID 158902801) has the molecular formula C72H66BBrF4N6O12S2 and a molecular weight of 1438.19 g/mol. Its IUPAC name is 5-(5-bromo-1-methyl-6-oxo-3-pyridinyl)-2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;5-[5-(4-fluoro-1H-inden-2-yl)-1-methyl-6-oxo-3-pyridinyl]-2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;2-(4-fluoro-1H-inden-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

Molecular Properties

• Compound Name: 5-(5-bromo-1-methyl-6-oxo-3-pyridinyl)-2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;5-[5-(4-fluoro-1H-inden-2-yl)-1-methyl-6-oxo-3-pyridinyl]-2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;2-(4-fluoro-1H-inden-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
• PubChem CID: 158902801
• Molecular Formula: C72H66BBrF4N6O12S2
• Molecular Weight: 1438.19 g/mol
• Exact Mass: 1436.34
• IUPAC Name: 5-(5-bromo-1-methyl-6-oxo-3-pyridinyl)-2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;5-[5-(4-fluoro-1H-inden-2-yl)-1-methyl-6-oxo-3-pyridinyl]-2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;2-(4-fluoro-1H-inden-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
• SMILES: CC1(C)OB(C2=Cc3c(F)cccc3C2)OC1(C)C.CNC(=O)c1c(-c2ccc(F)cc2)oc2cc(N(C)S(C)(=O)=O)c(-c3cc(Br)c(=O)n(C)c3)cc12.CNC(=O)c1c(-c2ccc(F)cc2)oc2cc(N(C)S(C)(=O)=O)c(-c3cc(C4=Cc5c(F)cccc5C4)c(=O)n(C)c3)cc12
• InChI: InChI=1S/C33H27F2N3O5S.C24H21BrFN3O5S.C15H18BFO2/c1-36-32(39)30-26-15-24(21-14-25(33(40)37(2)17-21)20-12-19-6-5-7-27(35)23(19)13-20)28(38(3)44(4,41)42)16-29(26)43-31(30)18-8-10-22(34)11-9-18;1-27-23(30)21-17-10-16(14-9-18(25)24(31)28(2)12-14)19(29(3)35(4,32)33)11-20(17)34-22(21)13-5-7-15(26)8-6-13;1-14(2)15(3,4)19-16(18-14)11-8-10-6-5-7-13(17)12(10)9-11/h5-11,13-17H,12H2,1-4H3,(H,36,39);5-12H,1-4H3,(H,27,30);5-7,9H,8H2,1-4H3
• InChIKey: JFQVKVYKBGDGQT-UHFFFAOYSA-N
• XLogP: 13.11
• TPSA: 221.70 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 14
• Rotatable Bonds: 12
• Heavy Atoms: 98
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1438.19
LogP ≤ 5	13.11
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-(5-bromo-1-methyl-6-oxo-3-pyridinyl)-2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;5-[5-(4-fluoro-1H-inden-2-yl)-1-methyl-6-oxo-3-pyridinyl]-2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;2-(4-fluoro-1H-inden-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?

The IUPAC name of 5-(5-bromo-1-methyl-6-oxo-3-pyridinyl)-2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;5-[5-(4-fluoro-1H-inden-2-yl)-1-methyl-6-oxo-3-pyridinyl]-2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;2-(4-fluoro-1H-inden-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CID 158902801) is 5-(5-bromo-1-methyl-6-oxo-3-pyridinyl)-2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;5-[5-(4-fluoro-1H-inden-2-yl)-1-methyl-6-oxo-3-pyridinyl]-2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;2-(4-fluoro-1H-inden-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

What is the SMILES notation for 5-(5-bromo-1-methyl-6-oxo-3-pyridinyl)-2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;5-[5-(4-fluoro-1H-inden-2-yl)-1-methyl-6-oxo-3-pyridinyl]-2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;2-(4-fluoro-1H-inden-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?

The canonical SMILES for 5-(5-bromo-1-methyl-6-oxo-3-pyridinyl)-2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;5-[5-(4-fluoro-1H-inden-2-yl)-1-methyl-6-oxo-3-pyridinyl]-2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;2-(4-fluoro-1H-inden-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is CC1(C)OB(C2=Cc3c(F)cccc3C2)OC1(C)C.CNC(=O)c1c(-c2ccc(F)cc2)oc2cc(N(C)S(C)(=O)=O)c(-c3cc(Br)c(=O)n(C)c3)cc12.CNC(=O)c1c(-c2ccc(F)cc2)oc2cc(N(C)S(C)(=O)=O)c(-c3cc(C4=Cc5c(F)cccc5C4)c(=O)n(C)c3)cc12.

What is the InChIKey of 5-(5-bromo-1-methyl-6-oxo-3-pyridinyl)-2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;5-[5-(4-fluoro-1H-inden-2-yl)-1-methyl-6-oxo-3-pyridinyl]-2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;2-(4-fluoro-1H-inden-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?

The InChIKey is JFQVKVYKBGDGQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H27F2N3O5S.C24H21BrFN3O5S.C15H18BFO2/c1-36-32(39)30-26-15-24(21-14-25(33(40)37(2)17-21)20-12-19-6-5-7-27(35)23(19)13-20)28(38(3)44(4,41)42)16-29(26)43-31(30)18-8-10-22(34)11-9-18;1-27-23(30)21-17-10-16(14-9-18(25)24(31)28(2)12-14)19(29(3)35(4,32)33)11-20(17)34-22(21)13-5-7-15(26)8-6-13;1-14(2)15(3,4)19-16(18-14)11-8-10-6-5-7-13(17)12(10)9-11/h5-11,13-17H,12H2,1-4H3,(H,36,39);5-12H,1-4H3,(H,27,30);5-7,9H,8H2,1-4H3.

What are the key properties of 5-(5-bromo-1-methyl-6-oxo-3-pyridinyl)-2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;5-[5-(4-fluoro-1H-inden-2-yl)-1-methyl-6-oxo-3-pyridinyl]-2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;2-(4-fluoro-1H-inden-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?

5-(5-bromo-1-methyl-6-oxo-3-pyridinyl)-2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;5-[5-(4-fluoro-1H-inden-2-yl)-1-methyl-6-oxo-3-pyridinyl]-2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;2-(4-fluoro-1H-inden-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane has a molecular weight of 1438.19 g/mol, XLogP of 13.11, 12 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(5-bromo-1-methyl-6-oxo-3-pyridinyl)-2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;5-[5-(4-fluoro-1H-inden-2-yl)-1-methyl-6-oxo-3-pyridinyl]-2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;2-(4-fluoro-1H-inden-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is sourced from PubChem (CID 158902801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).