N-[2-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide

C17H22N6OS — CID 50956911

About N-[2-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide

N-[2-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 50956911) has the molecular formula C17H22N6OS and a molecular weight of 358.47 g/mol. Its IUPAC name is N-[2-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[2-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide
• PubChem CID: 50956911
• Molecular Formula: C17H22N6OS
• Molecular Weight: 358.47 g/mol
• Exact Mass: 358.16
• IUPAC Name: N-[2-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide
• SMILES: CCn1c(C)nnc1SCCNC(=O)c1c(C)nc2ccc(C)cn12
• InChI: InChI=1S/C17H22N6OS/c1-5-22-13(4)20-21-17(22)25-9-8-18-16(24)15-12(3)19-14-7-6-11(2)10-23(14)15/h6-7,10H,5,8-9H2,1-4H3,(H,18,24)
• InChIKey: IDQPIRJXLKHVFC-UHFFFAOYSA-N
• XLogP: 2.39
• TPSA: 77.11 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	358.47
LogP ≤ 5	2.39
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide?

The IUPAC name of N-[2-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide (CID 50956911) is N-[2-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide.

What is the SMILES notation for N-[2-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide?

The canonical SMILES for N-[2-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide is CCn1c(C)nnc1SCCNC(=O)c1c(C)nc2ccc(C)cn12.

What is the InChIKey of N-[2-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide?

The InChIKey is IDQPIRJXLKHVFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6OS/c1-5-22-13(4)20-21-17(22)25-9-8-18-16(24)15-12(3)19-14-7-6-11(2)10-23(14)15/h6-7,10H,5,8-9H2,1-4H3,(H,18,24).

What are the key properties of N-[2-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide?

N-[2-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 358.47 g/mol, XLogP of 2.39, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 50956911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).