5-(5-indazol-1-yl-2-methoxy-3-pyridinyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide

C32H29N5O5S — CID 126486401

About 5-(5-indazol-1-yl-2-methoxy-3-pyridinyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide

5-(5-indazol-1-yl-2-methoxy-3-pyridinyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide (PubChem CID 126486401) has the molecular formula C32H29N5O5S and a molecular weight of 595.68 g/mol. Its IUPAC name is 5-(5-indazol-1-yl-2-methoxy-3-pyridinyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide.

Molecular Properties

• Compound Name: 5-(5-indazol-1-yl-2-methoxy-3-pyridinyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide
• PubChem CID: 126486401
• Molecular Formula: C32H29N5O5S
• Molecular Weight: 595.68 g/mol
• Exact Mass: 595.19
• IUPAC Name: 5-(5-indazol-1-yl-2-methoxy-3-pyridinyl)-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(-n4ncc5ccccc54)cnc3OC)cc12
• InChI: InChI=1S/C32H29N5O5S/c1-19-10-12-20(13-11-19)30-29(31(38)33-2)25-15-23(27(16-28(25)42-30)36(3)43(5,39)40)24-14-22(18-34-32(24)41-4)37-26-9-7-6-8-21(26)17-35-37/h6-18H,1-5H3,(H,33,38)
• InChIKey: GOHHMYNKMNQZPI-UHFFFAOYSA-N
• XLogP: 5.57
• TPSA: 119.56 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	595.68
LogP ≤ 5	5.57
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 5-(5-indazol-1-yl-2-methoxy-3-pyridinyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide?

The IUPAC name of 5-(5-indazol-1-yl-2-methoxy-3-pyridinyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide (CID 126486401) is 5-(5-indazol-1-yl-2-methoxy-3-pyridinyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide.

What is the SMILES notation for 5-(5-indazol-1-yl-2-methoxy-3-pyridinyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide?

The canonical SMILES for 5-(5-indazol-1-yl-2-methoxy-3-pyridinyl)-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(-n4ncc5ccccc54)cnc3OC)cc12.

What is the InChIKey of 5-(5-indazol-1-yl-2-methoxy-3-pyridinyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide?

The InChIKey is GOHHMYNKMNQZPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H29N5O5S/c1-19-10-12-20(13-11-19)30-29(31(38)33-2)25-15-23(27(16-28(25)42-30)36(3)43(5,39)40)24-14-22(18-34-32(24)41-4)37-26-9-7-6-8-21(26)17-35-37/h6-18H,1-5H3,(H,33,38).

What are the key properties of 5-(5-indazol-1-yl-2-methoxy-3-pyridinyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide?

5-(5-indazol-1-yl-2-methoxy-3-pyridinyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide has a molecular weight of 595.68 g/mol, XLogP of 5.57, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(5-indazol-1-yl-2-methoxy-3-pyridinyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide is sourced from PubChem (CID 126486401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).