2-[5,7-dimethyl-2-(2-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(4-fluorophenyl)acetamide

C22H20FN5O — CID 50750264

About 2-[5,7-dimethyl-2-(2-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(4-fluorophenyl)acetamide

2-[5,7-dimethyl-2-(2-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(4-fluorophenyl)acetamide (PubChem CID 50750264) has the molecular formula C22H20FN5O and a molecular weight of 389.43 g/mol. Its IUPAC name is 2-[5,7-dimethyl-2-(2-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(4-fluorophenyl)acetamide.

Molecular Properties

• Compound Name: 2-[5,7-dimethyl-2-(2-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(4-fluorophenyl)acetamide
• PubChem CID: 50750264
• Molecular Formula: C22H20FN5O
• Molecular Weight: 389.43 g/mol
• Exact Mass: 389.17
• IUPAC Name: 2-[5,7-dimethyl-2-(2-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(4-fluorophenyl)acetamide
• SMILES: Cc1ccccc1-c1nc2nc(C)c(CC(=O)Nc3ccc(F)cc3)c(C)n2n1
• InChI: InChI=1S/C22H20FN5O/c1-13-6-4-5-7-18(13)21-26-22-24-14(2)19(15(3)28(22)27-21)12-20(29)25-17-10-8-16(23)9-11-17/h4-11H,12H2,1-3H3,(H,25,29)
• InChIKey: ORVZCCXGTNHYII-UHFFFAOYSA-N
• XLogP: 4.04
• TPSA: 72.18 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	389.43
LogP ≤ 5	4.04
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[5,7-dimethyl-2-(2-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(4-fluorophenyl)acetamide?

The IUPAC name of 2-[5,7-dimethyl-2-(2-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(4-fluorophenyl)acetamide (CID 50750264) is 2-[5,7-dimethyl-2-(2-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(4-fluorophenyl)acetamide.

What is the SMILES notation for 2-[5,7-dimethyl-2-(2-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(4-fluorophenyl)acetamide?

The canonical SMILES for 2-[5,7-dimethyl-2-(2-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(4-fluorophenyl)acetamide is Cc1ccccc1-c1nc2nc(C)c(CC(=O)Nc3ccc(F)cc3)c(C)n2n1.

What is the InChIKey of 2-[5,7-dimethyl-2-(2-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(4-fluorophenyl)acetamide?

The InChIKey is ORVZCCXGTNHYII-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN5O/c1-13-6-4-5-7-18(13)21-26-22-24-14(2)19(15(3)28(22)27-21)12-20(29)25-17-10-8-16(23)9-11-17/h4-11H,12H2,1-3H3,(H,25,29).

What are the key properties of 2-[5,7-dimethyl-2-(2-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(4-fluorophenyl)acetamide?

2-[5,7-dimethyl-2-(2-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(4-fluorophenyl)acetamide has a molecular weight of 389.43 g/mol, XLogP of 4.04, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[5,7-dimethyl-2-(2-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(4-fluorophenyl)acetamide is sourced from PubChem (CID 50750264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).