5-(4-furo[3,2-b]pyridin-2-yl-5-methoxypyrimidin-2-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide

C31H27N5O6S — CID 126486379

About 5-(4-furo[3,2-b]pyridin-2-yl-5-methoxypyrimidin-2-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide

5-(4-furo[3,2-b]pyridin-2-yl-5-methoxypyrimidin-2-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide (PubChem CID 126486379) has the molecular formula C31H27N5O6S and a molecular weight of 597.65 g/mol. Its IUPAC name is 5-(4-furo[3,2-b]pyridin-2-yl-5-methoxypyrimidin-2-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide.

Molecular Properties

• Compound Name: 5-(4-furo[3,2-b]pyridin-2-yl-5-methoxypyrimidin-2-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide
• PubChem CID: 126486379
• Molecular Formula: C31H27N5O6S
• Molecular Weight: 597.65 g/mol
• Exact Mass: 597.17
• IUPAC Name: 5-(4-furo[3,2-b]pyridin-2-yl-5-methoxypyrimidin-2-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide
• SMILES: CNC(=O)c1c(-c2ccc(C)cc2)oc2cc(N(C)S(C)(=O)=O)c(-c3ncc(OC)c(-c4cc5ncccc5o4)n3)cc12
• InChI: InChI=1S/C31H27N5O6S/c1-17-8-10-18(11-9-17)29-27(31(37)32-2)20-13-19(22(15-24(20)42-29)36(3)43(5,38)39)30-34-16-26(40-4)28(35-30)25-14-21-23(41-25)7-6-12-33-21/h6-16H,1-5H3,(H,32,37)
• InChIKey: GBQSMOQXIJERDV-UHFFFAOYSA-N
• XLogP: 5.44
• TPSA: 140.66 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	597.65
LogP ≤ 5	5.44
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

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

The IUPAC name of 5-(4-furo[3,2-b]pyridin-2-yl-5-methoxypyrimidin-2-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide (CID 126486379) is 5-(4-furo[3,2-b]pyridin-2-yl-5-methoxypyrimidin-2-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide.

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

The canonical SMILES for 5-(4-furo[3,2-b]pyridin-2-yl-5-methoxypyrimidin-2-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide is CNC(=O)c1c(-c2ccc(C)cc2)oc2cc(N(C)S(C)(=O)=O)c(-c3ncc(OC)c(-c4cc5ncccc5o4)n3)cc12.

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

The InChIKey is GBQSMOQXIJERDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H27N5O6S/c1-17-8-10-18(11-9-17)29-27(31(37)32-2)20-13-19(22(15-24(20)42-29)36(3)43(5,38)39)30-34-16-26(40-4)28(35-30)25-14-21-23(41-25)7-6-12-33-21/h6-16H,1-5H3,(H,32,37).

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

5-(4-furo[3,2-b]pyridin-2-yl-5-methoxypyrimidin-2-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide has a molecular weight of 597.65 g/mol, XLogP of 5.44, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(4-furo[3,2-b]pyridin-2-yl-5-methoxypyrimidin-2-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide is sourced from PubChem (CID 126486379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).