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

C24H20FN5O4S — CID 71295341

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

2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-5-([1,2,4]triazolo[4,3-a]pyridin-6-yl)-1-benzofuran-3-carboxamide (PubChem CID 71295341) has the molecular formula C24H20FN5O4S and a molecular weight of 493.52 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-5-([1,2,4]triazolo[4,3-a]pyridin-6-yl)-1-benzofuran-3-carboxamide.

Molecular Properties

• Compound Name: 2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-5-([1,2,4]triazolo[4,3-a]pyridin-6-yl)-1-benzofuran-3-carboxamide
• PubChem CID: 71295341
• Molecular Formula: C24H20FN5O4S
• Molecular Weight: 493.52 g/mol
• Exact Mass: 493.12
• IUPAC Name: 2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-5-([1,2,4]triazolo[4,3-a]pyridin-6-yl)-1-benzofuran-3-carboxamide
• SMILES: CNC(=O)c1c(-c2ccc(F)cc2)oc2cc(N(C)S(C)(=O)=O)c(-c3ccc4nncn4c3)cc12
• InChI: InChI=1S/C24H20FN5O4S/c1-26-24(31)22-18-10-17(15-6-9-21-28-27-13-30(21)12-15)19(29(2)35(3,32)33)11-20(18)34-23(22)14-4-7-16(25)8-5-14/h4-13H,1-3H3,(H,26,31)
• InChIKey: TWHGTQMACLVHRI-UHFFFAOYSA-N
• XLogP: 3.70
• TPSA: 109.81 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	493.52
LogP ≤ 5	3.70
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-5-([1,2,4]triazolo[4,3-a]pyridin-6-yl)-1-benzofuran-3-carboxamide (CID 71295341) is 2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-5-([1,2,4]triazolo[4,3-a]pyridin-6-yl)-1-benzofuran-3-carboxamide.

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

The canonical SMILES for 2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-5-([1,2,4]triazolo[4,3-a]pyridin-6-yl)-1-benzofuran-3-carboxamide is CNC(=O)c1c(-c2ccc(F)cc2)oc2cc(N(C)S(C)(=O)=O)c(-c3ccc4nncn4c3)cc12.

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

The InChIKey is TWHGTQMACLVHRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20FN5O4S/c1-26-24(31)22-18-10-17(15-6-9-21-28-27-13-30(21)12-15)19(29(2)35(3,32)33)11-20(18)34-23(22)14-4-7-16(25)8-5-14/h4-13H,1-3H3,(H,26,31).

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

2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-5-([1,2,4]triazolo[4,3-a]pyridin-6-yl)-1-benzofuran-3-carboxamide has a molecular weight of 493.52 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-5-([1,2,4]triazolo[4,3-a]pyridin-6-yl)-1-benzofuran-3-carboxamide is sourced from PubChem (CID 71295341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).