2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-5-[6-([1,3]oxazolo[4,5-b]pyridin-2-yl)pyrazin-2-yl]-1-benzofuran-3-carboxamide

C28H21FN6O5S — CID 89436522

About 2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-5-[6-([1,3]oxazolo[4,5-b]pyridin-2-yl)pyrazin-2-yl]-1-benzofuran-3-carboxamide

2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-5-[6-([1,3]oxazolo[4,5-b]pyridin-2-yl)pyrazin-2-yl]-1-benzofuran-3-carboxamide (PubChem CID 89436522) has the molecular formula C28H21FN6O5S and a molecular weight of 572.58 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-5-[6-([1,3]oxazolo[4,5-b]pyridin-2-yl)pyrazin-2-yl]-1-benzofuran-3-carboxamide.

Molecular Properties

• Compound Name: 2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-5-[6-([1,3]oxazolo[4,5-b]pyridin-2-yl)pyrazin-2-yl]-1-benzofuran-3-carboxamide
• PubChem CID: 89436522
• Molecular Formula: C28H21FN6O5S
• Molecular Weight: 572.58 g/mol
• Exact Mass: 572.13
• IUPAC Name: 2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-5-[6-([1,3]oxazolo[4,5-b]pyridin-2-yl)pyrazin-2-yl]-1-benzofuran-3-carboxamide
• SMILES: CNC(=O)c1c(-c2ccc(F)cc2)oc2cc(N(C)S(C)(=O)=O)c(-c3cncc(-c4nc5ncccc5o4)n3)cc12
• InChI: InChI=1S/C28H21FN6O5S/c1-30-27(36)24-18-11-17(19-13-31-14-20(33-19)28-34-26-22(40-28)5-4-10-32-26)21(35(2)41(3,37)38)12-23(18)39-25(24)15-6-8-16(29)9-7-15/h4-14H,1-3H3,(H,30,36)
• InChIKey: RDPKYGCDTMDGHL-UHFFFAOYSA-N
• XLogP: 4.65
• TPSA: 144.32 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	572.58
LogP ≤ 5	4.65
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-5-[6-([1,3]oxazolo[4,5-b]pyridin-2-yl)pyrazin-2-yl]-1-benzofuran-3-carboxamide?

The IUPAC name of 2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-5-[6-([1,3]oxazolo[4,5-b]pyridin-2-yl)pyrazin-2-yl]-1-benzofuran-3-carboxamide (CID 89436522) is 2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-5-[6-([1,3]oxazolo[4,5-b]pyridin-2-yl)pyrazin-2-yl]-1-benzofuran-3-carboxamide.

What is the SMILES notation for 2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-5-[6-([1,3]oxazolo[4,5-b]pyridin-2-yl)pyrazin-2-yl]-1-benzofuran-3-carboxamide?

The canonical SMILES for 2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-5-[6-([1,3]oxazolo[4,5-b]pyridin-2-yl)pyrazin-2-yl]-1-benzofuran-3-carboxamide is CNC(=O)c1c(-c2ccc(F)cc2)oc2cc(N(C)S(C)(=O)=O)c(-c3cncc(-c4nc5ncccc5o4)n3)cc12.

What is the InChIKey of 2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-5-[6-([1,3]oxazolo[4,5-b]pyridin-2-yl)pyrazin-2-yl]-1-benzofuran-3-carboxamide?

The InChIKey is RDPKYGCDTMDGHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H21FN6O5S/c1-30-27(36)24-18-11-17(19-13-31-14-20(33-19)28-34-26-22(40-28)5-4-10-32-26)21(35(2)41(3,37)38)12-23(18)39-25(24)15-6-8-16(29)9-7-15/h4-14H,1-3H3,(H,30,36).

What are the key properties of 2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-5-[6-([1,3]oxazolo[4,5-b]pyridin-2-yl)pyrazin-2-yl]-1-benzofuran-3-carboxamide?

2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-5-[6-([1,3]oxazolo[4,5-b]pyridin-2-yl)pyrazin-2-yl]-1-benzofuran-3-carboxamide has a molecular weight of 572.58 g/mol, XLogP of 4.65, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-5-[6-([1,3]oxazolo[4,5-b]pyridin-2-yl)pyrazin-2-yl]-1-benzofuran-3-carboxamide is sourced from PubChem (CID 89436522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).