[4-[[5-(3-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-2-pyridinyl]methanol

C19H17N5O3S — CID 59186170

About [4-[[5-(3-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-2-pyridinyl]methanol

[4-[[5-(3-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-2-pyridinyl]methanol (PubChem CID 59186170) has the molecular formula C19H17N5O3S and a molecular weight of 395.44 g/mol. Its IUPAC name is [4-[[5-(3-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-2-pyridinyl]methanol.

Molecular Properties

• Compound Name: [4-[[5-(3-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-2-pyridinyl]methanol
• PubChem CID: 59186170
• Molecular Formula: C19H17N5O3S
• Molecular Weight: 395.44 g/mol
• Exact Mass: 395.11
• IUPAC Name: [4-[[5-(3-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-2-pyridinyl]methanol
• SMILES: CS(=O)(=O)c1cccc(-c2cccc3nc(Nc4ccnc(CO)c4)nn23)c1
• InChI: InChI=1S/C19H17N5O3S/c1-28(26,27)16-5-2-4-13(10-16)17-6-3-7-18-22-19(23-24(17)18)21-14-8-9-20-15(11-14)12-25/h2-11,25H,12H2,1H3,(H,20,21,23)
• InChIKey: LPZSLHBFONDNKS-UHFFFAOYSA-N
• XLogP: 2.43
• TPSA: 109.48 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	395.44
LogP ≤ 5	2.43
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of [4-[[5-(3-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-2-pyridinyl]methanol?

The IUPAC name of [4-[[5-(3-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-2-pyridinyl]methanol (CID 59186170) is [4-[[5-(3-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-2-pyridinyl]methanol.

What is the SMILES notation for [4-[[5-(3-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-2-pyridinyl]methanol?

The canonical SMILES for [4-[[5-(3-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-2-pyridinyl]methanol is CS(=O)(=O)c1cccc(-c2cccc3nc(Nc4ccnc(CO)c4)nn23)c1.

What is the InChIKey of [4-[[5-(3-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-2-pyridinyl]methanol?

The InChIKey is LPZSLHBFONDNKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O3S/c1-28(26,27)16-5-2-4-13(10-16)17-6-3-7-18-22-19(23-24(17)18)21-14-8-9-20-15(11-14)12-25/h2-11,25H,12H2,1H3,(H,20,21,23).

What are the key properties of [4-[[5-(3-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-2-pyridinyl]methanol?

[4-[[5-(3-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-2-pyridinyl]methanol has a molecular weight of 395.44 g/mol, XLogP of 2.43, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[[5-(3-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-2-pyridinyl]methanol is sourced from PubChem (CID 59186170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).