N-[4-(2,6-dimethoxyphenyl)-5-(5-methylfuran-2-yl)-1,2,4-triazol-3-yl]-1-imidazo[1,2-a]pyridin-2-yl-1-methoxypropane-2-sulfonamide

C26H28N6O6S — CID 139462935

About N-[4-(2,6-dimethoxyphenyl)-5-(5-methylfuran-2-yl)-1,2,4-triazol-3-yl]-1-imidazo[1,2-a]pyridin-2-yl-1-methoxypropane-2-sulfonamide

N-[4-(2,6-dimethoxyphenyl)-5-(5-methylfuran-2-yl)-1,2,4-triazol-3-yl]-1-imidazo[1,2-a]pyridin-2-yl-1-methoxypropane-2-sulfonamide (PubChem CID 139462935) has the molecular formula C26H28N6O6S and a molecular weight of 552.61 g/mol. Its IUPAC name is N-[4-(2,6-dimethoxyphenyl)-5-(5-methylfuran-2-yl)-1,2,4-triazol-3-yl]-1-imidazo[1,2-a]pyridin-2-yl-1-methoxypropane-2-sulfonamide.

Molecular Properties

• Compound Name: N-[4-(2,6-dimethoxyphenyl)-5-(5-methylfuran-2-yl)-1,2,4-triazol-3-yl]-1-imidazo[1,2-a]pyridin-2-yl-1-methoxypropane-2-sulfonamide
• PubChem CID: 139462935
• Molecular Formula: C26H28N6O6S
• Molecular Weight: 552.61 g/mol
• Exact Mass: 552.18
• IUPAC Name: N-[4-(2,6-dimethoxyphenyl)-5-(5-methylfuran-2-yl)-1,2,4-triazol-3-yl]-1-imidazo[1,2-a]pyridin-2-yl-1-methoxypropane-2-sulfonamide
• SMILES: COc1cccc(OC)c1-n1c(NS(=O)(=O)C(C)C(OC)c2cn3ccccc3n2)nnc1-c1ccc(C)o1
• InChI: InChI=1S/C26H28N6O6S/c1-16-12-13-21(38-16)25-28-29-26(32(25)23-19(35-3)9-8-10-20(23)36-4)30-39(33,34)17(2)24(37-5)18-15-31-14-7-6-11-22(31)27-18/h6-15,17,24H,1-5H3,(H,29,30)
• InChIKey: NSLQEPXBWMJUSU-UHFFFAOYSA-N
• XLogP: 4.02
• TPSA: 135.01 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 11
• Rotatable Bonds: 10
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	552.61
LogP ≤ 5	4.02
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,6-dimethoxyphenyl)-5-(5-methylfuran-2-yl)-1,2,4-triazol-3-yl]-1-imidazo[1,2-a]pyridin-2-yl-1-methoxypropane-2-sulfonamide?

The IUPAC name of N-[4-(2,6-dimethoxyphenyl)-5-(5-methylfuran-2-yl)-1,2,4-triazol-3-yl]-1-imidazo[1,2-a]pyridin-2-yl-1-methoxypropane-2-sulfonamide (CID 139462935) is N-[4-(2,6-dimethoxyphenyl)-5-(5-methylfuran-2-yl)-1,2,4-triazol-3-yl]-1-imidazo[1,2-a]pyridin-2-yl-1-methoxypropane-2-sulfonamide.

What is the SMILES notation for N-[4-(2,6-dimethoxyphenyl)-5-(5-methylfuran-2-yl)-1,2,4-triazol-3-yl]-1-imidazo[1,2-a]pyridin-2-yl-1-methoxypropane-2-sulfonamide?

The canonical SMILES for N-[4-(2,6-dimethoxyphenyl)-5-(5-methylfuran-2-yl)-1,2,4-triazol-3-yl]-1-imidazo[1,2-a]pyridin-2-yl-1-methoxypropane-2-sulfonamide is COc1cccc(OC)c1-n1c(NS(=O)(=O)C(C)C(OC)c2cn3ccccc3n2)nnc1-c1ccc(C)o1.

What is the InChIKey of N-[4-(2,6-dimethoxyphenyl)-5-(5-methylfuran-2-yl)-1,2,4-triazol-3-yl]-1-imidazo[1,2-a]pyridin-2-yl-1-methoxypropane-2-sulfonamide?

The InChIKey is NSLQEPXBWMJUSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N6O6S/c1-16-12-13-21(38-16)25-28-29-26(32(25)23-19(35-3)9-8-10-20(23)36-4)30-39(33,34)17(2)24(37-5)18-15-31-14-7-6-11-22(31)27-18/h6-15,17,24H,1-5H3,(H,29,30).

What are the key properties of N-[4-(2,6-dimethoxyphenyl)-5-(5-methylfuran-2-yl)-1,2,4-triazol-3-yl]-1-imidazo[1,2-a]pyridin-2-yl-1-methoxypropane-2-sulfonamide?

N-[4-(2,6-dimethoxyphenyl)-5-(5-methylfuran-2-yl)-1,2,4-triazol-3-yl]-1-imidazo[1,2-a]pyridin-2-yl-1-methoxypropane-2-sulfonamide has a molecular weight of 552.61 g/mol, XLogP of 4.02, 10 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(2,6-dimethoxyphenyl)-5-(5-methylfuran-2-yl)-1,2,4-triazol-3-yl]-1-imidazo[1,2-a]pyridin-2-yl-1-methoxypropane-2-sulfonamide is sourced from PubChem (CID 139462935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).