2-[4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)phenyl]-N-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]acetamide

C22H22N6O2 — CID 176939197

About 2-[4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)phenyl]-N-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]acetamide

2-[4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)phenyl]-N-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]acetamide (PubChem CID 176939197) has the molecular formula C22H22N6O2 and a molecular weight of 402.46 g/mol. Its IUPAC name is 2-[4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)phenyl]-N-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]acetamide.

Molecular Properties

• Compound Name: 2-[4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)phenyl]-N-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]acetamide
• PubChem CID: 176939197
• Molecular Formula: C22H22N6O2
• Molecular Weight: 402.46 g/mol
• Exact Mass: 402.18
• IUPAC Name: 2-[4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)phenyl]-N-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]acetamide
• SMILES: CC(C)(O)c1ccc(NC(=O)Cc2ccc(-c3ccn4nc(N)nc4c3)cc2)cn1
• InChI: InChI=1S/C22H22N6O2/c1-22(2,30)18-8-7-17(13-24-18)25-20(29)11-14-3-5-15(6-4-14)16-9-10-28-19(12-16)26-21(23)27-28/h3-10,12-13,30H,11H2,1-2H3,(H2,23,27)(H,25,29)
• InChIKey: IFNREHFORPAOSY-UHFFFAOYSA-N
• XLogP: 2.78
• TPSA: 118.43 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	402.46
LogP ≤ 5	2.78
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)phenyl]-N-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]acetamide?

The IUPAC name of 2-[4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)phenyl]-N-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]acetamide (CID 176939197) is 2-[4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)phenyl]-N-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]acetamide.

What is the SMILES notation for 2-[4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)phenyl]-N-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]acetamide?

The canonical SMILES for 2-[4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)phenyl]-N-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]acetamide is CC(C)(O)c1ccc(NC(=O)Cc2ccc(-c3ccn4nc(N)nc4c3)cc2)cn1.

What is the InChIKey of 2-[4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)phenyl]-N-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]acetamide?

The InChIKey is IFNREHFORPAOSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N6O2/c1-22(2,30)18-8-7-17(13-24-18)25-20(29)11-14-3-5-15(6-4-14)16-9-10-28-19(12-16)26-21(23)27-28/h3-10,12-13,30H,11H2,1-2H3,(H2,23,27)(H,25,29).

What are the key properties of 2-[4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)phenyl]-N-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]acetamide?

2-[4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)phenyl]-N-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]acetamide has a molecular weight of 402.46 g/mol, XLogP of 2.78, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)phenyl]-N-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]acetamide is sourced from PubChem (CID 176939197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).