(2R)-2-amino-2-phenylacetamide;methyl 5-[(4-fluoro-3-methylphenyl)methylcarbamoyl]-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxylate

C24H24FN7O4 — CID 159632161

About (2R)-2-amino-2-phenylacetamide;methyl 5-[(4-fluoro-3-methylphenyl)methylcarbamoyl]-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxylate

(2R)-2-amino-2-phenylacetamide;methyl 5-[(4-fluoro-3-methylphenyl)methylcarbamoyl]-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxylate (PubChem CID 159632161) has the molecular formula C24H24FN7O4 and a molecular weight of 493.50 g/mol. Its IUPAC name is (2R)-2-amino-2-phenylacetamide;methyl 5-[(4-fluoro-3-methylphenyl)methylcarbamoyl]-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxylate.

Molecular Properties

• Compound Name: (2R)-2-amino-2-phenylacetamide;methyl 5-[(4-fluoro-3-methylphenyl)methylcarbamoyl]-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxylate
• PubChem CID: 159632161
• Molecular Formula: C24H24FN7O4
• Molecular Weight: 493.50 g/mol
• Exact Mass: 493.19
• IUPAC Name: (2R)-2-amino-2-phenylacetamide;methyl 5-[(4-fluoro-3-methylphenyl)methylcarbamoyl]-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxylate
• SMILES: COC(=O)c1cc(C(=O)NCc2ccc(F)c(C)c2)nc2ncnn12.NC(=O)[C@H](N)c1ccccc1
• InChI: InChI=1S/C16H14FN5O3.C8H10N2O/c1-9-5-10(3-4-11(9)17)7-18-14(23)12-6-13(15(24)25-2)22-16(21-12)19-8-20-22;9-7(8(10)11)6-4-2-1-3-5-6/h3-6,8H,7H2,1-2H3,(H,18,23);1-5,7H,9H2,(H2,10,11)/t;7-/m.1/s1
• InChIKey: MPGNFYDYCKUBEX-HMZWWLAASA-N
• XLogP: 1.46
• TPSA: 167.59 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	493.50
LogP ≤ 5	1.46
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-2-phenylacetamide;methyl 5-[(4-fluoro-3-methylphenyl)methylcarbamoyl]-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxylate?

The IUPAC name of (2R)-2-amino-2-phenylacetamide;methyl 5-[(4-fluoro-3-methylphenyl)methylcarbamoyl]-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxylate (CID 159632161) is (2R)-2-amino-2-phenylacetamide;methyl 5-[(4-fluoro-3-methylphenyl)methylcarbamoyl]-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxylate.

What is the SMILES notation for (2R)-2-amino-2-phenylacetamide;methyl 5-[(4-fluoro-3-methylphenyl)methylcarbamoyl]-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxylate?

The canonical SMILES for (2R)-2-amino-2-phenylacetamide;methyl 5-[(4-fluoro-3-methylphenyl)methylcarbamoyl]-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxylate is COC(=O)c1cc(C(=O)NCc2ccc(F)c(C)c2)nc2ncnn12.NC(=O)[C@H](N)c1ccccc1.

What is the InChIKey of (2R)-2-amino-2-phenylacetamide;methyl 5-[(4-fluoro-3-methylphenyl)methylcarbamoyl]-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxylate?

The InChIKey is MPGNFYDYCKUBEX-HMZWWLAASA-N. The full InChI is InChI=1S/C16H14FN5O3.C8H10N2O/c1-9-5-10(3-4-11(9)17)7-18-14(23)12-6-13(15(24)25-2)22-16(21-12)19-8-20-22;9-7(8(10)11)6-4-2-1-3-5-6/h3-6,8H,7H2,1-2H3,(H,18,23);1-5,7H,9H2,(H2,10,11)/t;7-/m.1/s1.

What are the key properties of (2R)-2-amino-2-phenylacetamide;methyl 5-[(4-fluoro-3-methylphenyl)methylcarbamoyl]-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxylate?

(2R)-2-amino-2-phenylacetamide;methyl 5-[(4-fluoro-3-methylphenyl)methylcarbamoyl]-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxylate has a molecular weight of 493.50 g/mol, XLogP of 1.46, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-2-amino-2-phenylacetamide;methyl 5-[(4-fluoro-3-methylphenyl)methylcarbamoyl]-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxylate is sourced from PubChem (CID 159632161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).