N-(4-fluoro-2-methylphenyl)-2-(5-methyl-3-oxo-7-pyridin-2-yl-[1,2,4]triazolo[4,3-c]pyrimidin-2-yl)acetamide

C20H17FN6O2 — CID 53156805

About N-(4-fluoro-2-methylphenyl)-2-(5-methyl-3-oxo-7-pyridin-2-yl-[1,2,4]triazolo[4,3-c]pyrimidin-2-yl)acetamide

N-(4-fluoro-2-methylphenyl)-2-(5-methyl-3-oxo-7-pyridin-2-yl-[1,2,4]triazolo[4,3-c]pyrimidin-2-yl)acetamide (PubChem CID 53156805) has the molecular formula C20H17FN6O2 and a molecular weight of 392.39 g/mol. Its IUPAC name is N-(4-fluoro-2-methylphenyl)-2-(5-methyl-3-oxo-7-pyridin-2-yl-[1,2,4]triazolo[4,3-c]pyrimidin-2-yl)acetamide.

Molecular Properties

• Compound Name: N-(4-fluoro-2-methylphenyl)-2-(5-methyl-3-oxo-7-pyridin-2-yl-[1,2,4]triazolo[4,3-c]pyrimidin-2-yl)acetamide
• PubChem CID: 53156805
• Molecular Formula: C20H17FN6O2
• Molecular Weight: 392.39 g/mol
• Exact Mass: 392.14
• IUPAC Name: N-(4-fluoro-2-methylphenyl)-2-(5-methyl-3-oxo-7-pyridin-2-yl-[1,2,4]triazolo[4,3-c]pyrimidin-2-yl)acetamide
• SMILES: Cc1cc(F)ccc1NC(=O)Cn1nc2cc(-c3ccccn3)nc(C)n2c1=O
• InChI: InChI=1S/C20H17FN6O2/c1-12-9-14(21)6-7-15(12)24-19(28)11-26-20(29)27-13(2)23-17(10-18(27)25-26)16-5-3-4-8-22-16/h3-10H,11H2,1-2H3,(H,24,28)
• InChIKey: WPRIZAZYXDQXSP-UHFFFAOYSA-N
• XLogP: 2.35
• TPSA: 94.18 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	392.39
LogP ≤ 5	2.35
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-2-methylphenyl)-2-(5-methyl-3-oxo-7-pyridin-2-yl-[1,2,4]triazolo[4,3-c]pyrimidin-2-yl)acetamide?

The IUPAC name of N-(4-fluoro-2-methylphenyl)-2-(5-methyl-3-oxo-7-pyridin-2-yl-[1,2,4]triazolo[4,3-c]pyrimidin-2-yl)acetamide (CID 53156805) is N-(4-fluoro-2-methylphenyl)-2-(5-methyl-3-oxo-7-pyridin-2-yl-[1,2,4]triazolo[4,3-c]pyrimidin-2-yl)acetamide.

What is the SMILES notation for N-(4-fluoro-2-methylphenyl)-2-(5-methyl-3-oxo-7-pyridin-2-yl-[1,2,4]triazolo[4,3-c]pyrimidin-2-yl)acetamide?

The canonical SMILES for N-(4-fluoro-2-methylphenyl)-2-(5-methyl-3-oxo-7-pyridin-2-yl-[1,2,4]triazolo[4,3-c]pyrimidin-2-yl)acetamide is Cc1cc(F)ccc1NC(=O)Cn1nc2cc(-c3ccccn3)nc(C)n2c1=O.

What is the InChIKey of N-(4-fluoro-2-methylphenyl)-2-(5-methyl-3-oxo-7-pyridin-2-yl-[1,2,4]triazolo[4,3-c]pyrimidin-2-yl)acetamide?

The InChIKey is WPRIZAZYXDQXSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN6O2/c1-12-9-14(21)6-7-15(12)24-19(28)11-26-20(29)27-13(2)23-17(10-18(27)25-26)16-5-3-4-8-22-16/h3-10H,11H2,1-2H3,(H,24,28).

What are the key properties of N-(4-fluoro-2-methylphenyl)-2-(5-methyl-3-oxo-7-pyridin-2-yl-[1,2,4]triazolo[4,3-c]pyrimidin-2-yl)acetamide?

N-(4-fluoro-2-methylphenyl)-2-(5-methyl-3-oxo-7-pyridin-2-yl-[1,2,4]triazolo[4,3-c]pyrimidin-2-yl)acetamide has a molecular weight of 392.39 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-fluoro-2-methylphenyl)-2-(5-methyl-3-oxo-7-pyridin-2-yl-[1,2,4]triazolo[4,3-c]pyrimidin-2-yl)acetamide is sourced from PubChem (CID 53156805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).