5-[5-(4-cyano-1H-indol-2-yl)pyridazin-3-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide

C32H26N6O4S — CID 126486566

About 5-[5-(4-cyano-1H-indol-2-yl)pyridazin-3-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide

5-[5-(4-cyano-1H-indol-2-yl)pyridazin-3-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide (PubChem CID 126486566) has the molecular formula C32H26N6O4S and a molecular weight of 590.67 g/mol. Its IUPAC name is 5-[5-(4-cyano-1H-indol-2-yl)pyridazin-3-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide.

Molecular Properties

• Compound Name: 5-[5-(4-cyano-1H-indol-2-yl)pyridazin-3-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide
• PubChem CID: 126486566
• Molecular Formula: C32H26N6O4S
• Molecular Weight: 590.67 g/mol
• Exact Mass: 590.17
• IUPAC Name: 5-[5-(4-cyano-1H-indol-2-yl)pyridazin-3-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(-c3cc(-c4cc5c(C#N)cccc5[nH]4)cnn3)cc12
• InChI: InChI=1S/C32H26N6O4S/c1-18-8-10-19(11-9-18)31-30(32(39)34-2)24-13-23(28(15-29(24)42-31)38(3)43(4,40)41)27-12-21(17-35-37-27)26-14-22-20(16-33)6-5-7-25(22)36-26/h5-15,17,36H,1-4H3,(H,34,39)
• InChIKey: DWLNUYZXFRFEBO-UHFFFAOYSA-N
• XLogP: 5.64
• TPSA: 144.98 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	590.67
LogP ≤ 5	5.64
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-[5-(4-cyano-1H-indol-2-yl)pyridazin-3-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide?

The IUPAC name of 5-[5-(4-cyano-1H-indol-2-yl)pyridazin-3-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide (CID 126486566) is 5-[5-(4-cyano-1H-indol-2-yl)pyridazin-3-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide.

What is the SMILES notation for 5-[5-(4-cyano-1H-indol-2-yl)pyridazin-3-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide?

The canonical SMILES for 5-[5-(4-cyano-1H-indol-2-yl)pyridazin-3-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(-c3cc(-c4cc5c(C#N)cccc5[nH]4)cnn3)cc12.

What is the InChIKey of 5-[5-(4-cyano-1H-indol-2-yl)pyridazin-3-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide?

The InChIKey is DWLNUYZXFRFEBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H26N6O4S/c1-18-8-10-19(11-9-18)31-30(32(39)34-2)24-13-23(28(15-29(24)42-31)38(3)43(4,40)41)27-12-21(17-35-37-27)26-14-22-20(16-33)6-5-7-25(22)36-26/h5-15,17,36H,1-4H3,(H,34,39).

What are the key properties of 5-[5-(4-cyano-1H-indol-2-yl)pyridazin-3-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide?

5-[5-(4-cyano-1H-indol-2-yl)pyridazin-3-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide has a molecular weight of 590.67 g/mol, XLogP of 5.64, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[5-(4-cyano-1H-indol-2-yl)pyridazin-3-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide is sourced from PubChem (CID 126486566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).