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

C25H26N6O3S — CID 142359115

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

4-(2,6-dimethoxyphenyl)-N-(1-imidazo[1,2-a]pyridin-5-ylpropan-2-ylsulfanyl)-5-(5-methylfuran-2-yl)-1,2,4-triazol-3-amine (PubChem CID 142359115) has the molecular formula C25H26N6O3S and a molecular weight of 490.59 g/mol. Its IUPAC name is 4-(2,6-dimethoxyphenyl)-N-(1-imidazo[1,2-a]pyridin-5-ylpropan-2-ylsulfanyl)-5-(5-methylfuran-2-yl)-1,2,4-triazol-3-amine.

Molecular Properties

• Compound Name: 4-(2,6-dimethoxyphenyl)-N-(1-imidazo[1,2-a]pyridin-5-ylpropan-2-ylsulfanyl)-5-(5-methylfuran-2-yl)-1,2,4-triazol-3-amine
• PubChem CID: 142359115
• Molecular Formula: C25H26N6O3S
• Molecular Weight: 490.59 g/mol
• Exact Mass: 490.18
• IUPAC Name: 4-(2,6-dimethoxyphenyl)-N-(1-imidazo[1,2-a]pyridin-5-ylpropan-2-ylsulfanyl)-5-(5-methylfuran-2-yl)-1,2,4-triazol-3-amine
• SMILES: COc1cccc(OC)c1-n1c(NSC(C)Cc2cccc3nccn23)nnc1-c1ccc(C)o1
• InChI: InChI=1S/C25H26N6O3S/c1-16-11-12-21(34-16)24-27-28-25(31(24)23-19(32-3)8-6-9-20(23)33-4)29-35-17(2)15-18-7-5-10-22-26-13-14-30(18)22/h5-14,17H,15H2,1-4H3,(H,28,29)
• InChIKey: TZZPHFQEZCDKLE-UHFFFAOYSA-N
• XLogP: 5.19
• TPSA: 91.64 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 9
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	490.59
LogP ≤ 5	5.19
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of 4-(2,6-dimethoxyphenyl)-N-(1-imidazo[1,2-a]pyridin-5-ylpropan-2-ylsulfanyl)-5-(5-methylfuran-2-yl)-1,2,4-triazol-3-amine (CID 142359115) is 4-(2,6-dimethoxyphenyl)-N-(1-imidazo[1,2-a]pyridin-5-ylpropan-2-ylsulfanyl)-5-(5-methylfuran-2-yl)-1,2,4-triazol-3-amine.

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

The canonical SMILES for 4-(2,6-dimethoxyphenyl)-N-(1-imidazo[1,2-a]pyridin-5-ylpropan-2-ylsulfanyl)-5-(5-methylfuran-2-yl)-1,2,4-triazol-3-amine is COc1cccc(OC)c1-n1c(NSC(C)Cc2cccc3nccn23)nnc1-c1ccc(C)o1.

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

The InChIKey is TZZPHFQEZCDKLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N6O3S/c1-16-11-12-21(34-16)24-27-28-25(31(24)23-19(32-3)8-6-9-20(23)33-4)29-35-17(2)15-18-7-5-10-22-26-13-14-30(18)22/h5-14,17H,15H2,1-4H3,(H,28,29).

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

4-(2,6-dimethoxyphenyl)-N-(1-imidazo[1,2-a]pyridin-5-ylpropan-2-ylsulfanyl)-5-(5-methylfuran-2-yl)-1,2,4-triazol-3-amine has a molecular weight of 490.59 g/mol, XLogP of 5.19, 9 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(2,6-dimethoxyphenyl)-N-(1-imidazo[1,2-a]pyridin-5-ylpropan-2-ylsulfanyl)-5-(5-methylfuran-2-yl)-1,2,4-triazol-3-amine is sourced from PubChem (CID 142359115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).