N-(3-methoxysulfanylphenyl)-2-[1-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazol-3-yl]acetamide

C24H21N7O2S — CID 138692382

About N-(3-methoxysulfanylphenyl)-2-[1-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazol-3-yl]acetamide

N-(3-methoxysulfanylphenyl)-2-[1-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazol-3-yl]acetamide (PubChem CID 138692382) has the molecular formula C24H21N7O2S and a molecular weight of 471.55 g/mol. Its IUPAC name is N-(3-methoxysulfanylphenyl)-2-[1-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazol-3-yl]acetamide.

Molecular Properties

• Compound Name: N-(3-methoxysulfanylphenyl)-2-[1-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazol-3-yl]acetamide
• PubChem CID: 138692382
• Molecular Formula: C24H21N7O2S
• Molecular Weight: 471.55 g/mol
• Exact Mass: 471.15
• IUPAC Name: N-(3-methoxysulfanylphenyl)-2-[1-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazol-3-yl]acetamide
• SMILES: COSc1cccc(NC(=O)Cc2cc(-c3ccc4ncnn4c3)n(-c3cccc(C)n3)n2)c1
• InChI: InChI=1S/C24H21N7O2S/c1-16-5-3-8-23(27-16)31-21(17-9-10-22-25-15-26-30(22)14-17)12-19(29-31)13-24(32)28-18-6-4-7-20(11-18)34-33-2/h3-12,14-15H,13H2,1-2H3,(H,28,32)
• InChIKey: XHUIMEHJINIWSP-UHFFFAOYSA-N
• XLogP: 4.12
• TPSA: 99.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	471.55
LogP ≤ 5	4.12
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxysulfanylphenyl)-2-[1-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazol-3-yl]acetamide?

The IUPAC name of N-(3-methoxysulfanylphenyl)-2-[1-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazol-3-yl]acetamide (CID 138692382) is N-(3-methoxysulfanylphenyl)-2-[1-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazol-3-yl]acetamide.

What is the SMILES notation for N-(3-methoxysulfanylphenyl)-2-[1-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazol-3-yl]acetamide?

The canonical SMILES for N-(3-methoxysulfanylphenyl)-2-[1-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazol-3-yl]acetamide is COSc1cccc(NC(=O)Cc2cc(-c3ccc4ncnn4c3)n(-c3cccc(C)n3)n2)c1.

What is the InChIKey of N-(3-methoxysulfanylphenyl)-2-[1-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazol-3-yl]acetamide?

The InChIKey is XHUIMEHJINIWSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N7O2S/c1-16-5-3-8-23(27-16)31-21(17-9-10-22-25-15-26-30(22)14-17)12-19(29-31)13-24(32)28-18-6-4-7-20(11-18)34-33-2/h3-12,14-15H,13H2,1-2H3,(H,28,32).

What are the key properties of N-(3-methoxysulfanylphenyl)-2-[1-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazol-3-yl]acetamide?

N-(3-methoxysulfanylphenyl)-2-[1-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazol-3-yl]acetamide has a molecular weight of 471.55 g/mol, XLogP of 4.12, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-methoxysulfanylphenyl)-2-[1-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazol-3-yl]acetamide is sourced from PubChem (CID 138692382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).