4-[[5-(4-methylsulfinylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(piperidin-4-ylmethyl)benzamide

C26H28N6O2S — CID 143916178

About 4-[[5-(4-methylsulfinylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(piperidin-4-ylmethyl)benzamide

4-[[5-(4-methylsulfinylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(piperidin-4-ylmethyl)benzamide (PubChem CID 143916178) has the molecular formula C26H28N6O2S and a molecular weight of 488.62 g/mol. Its IUPAC name is 4-[[5-(4-methylsulfinylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(piperidin-4-ylmethyl)benzamide.

Molecular Properties

• Compound Name: 4-[[5-(4-methylsulfinylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(piperidin-4-ylmethyl)benzamide
• PubChem CID: 143916178
• Molecular Formula: C26H28N6O2S
• Molecular Weight: 488.62 g/mol
• Exact Mass: 488.20
• IUPAC Name: 4-[[5-(4-methylsulfinylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(piperidin-4-ylmethyl)benzamide
• SMILES: CS(=O)c1ccc(-c2cccc3nc(Nc4ccc(C(=O)NCC5CCNCC5)cc4)nn23)cc1
• InChI: InChI=1S/C26H28N6O2S/c1-35(34)22-11-7-19(8-12-22)23-3-2-4-24-30-26(31-32(23)24)29-21-9-5-20(6-10-21)25(33)28-17-18-13-15-27-16-14-18/h2-12,18,27H,13-17H2,1H3,(H,28,33)(H,29,31)
• InChIKey: YXCXFMZZKBRWHZ-UHFFFAOYSA-N
• XLogP: 3.61
• TPSA: 100.42 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	488.62
LogP ≤ 5	3.61
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 4-[[5-(4-methylsulfinylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(piperidin-4-ylmethyl)benzamide?

The IUPAC name of 4-[[5-(4-methylsulfinylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(piperidin-4-ylmethyl)benzamide (CID 143916178) is 4-[[5-(4-methylsulfinylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(piperidin-4-ylmethyl)benzamide.

What is the SMILES notation for 4-[[5-(4-methylsulfinylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(piperidin-4-ylmethyl)benzamide?

The canonical SMILES for 4-[[5-(4-methylsulfinylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(piperidin-4-ylmethyl)benzamide is CS(=O)c1ccc(-c2cccc3nc(Nc4ccc(C(=O)NCC5CCNCC5)cc4)nn23)cc1.

What is the InChIKey of 4-[[5-(4-methylsulfinylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(piperidin-4-ylmethyl)benzamide?

The InChIKey is YXCXFMZZKBRWHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N6O2S/c1-35(34)22-11-7-19(8-12-22)23-3-2-4-24-30-26(31-32(23)24)29-21-9-5-20(6-10-21)25(33)28-17-18-13-15-27-16-14-18/h2-12,18,27H,13-17H2,1H3,(H,28,33)(H,29,31).

What are the key properties of 4-[[5-(4-methylsulfinylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(piperidin-4-ylmethyl)benzamide?

4-[[5-(4-methylsulfinylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(piperidin-4-ylmethyl)benzamide has a molecular weight of 488.62 g/mol, XLogP of 3.61, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[[5-(4-methylsulfinylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(piperidin-4-ylmethyl)benzamide is sourced from PubChem (CID 143916178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).