N-[1-[3-fluoro-4-(trifluoromethoxy)phenyl]-2-methoxyethyl]-7-hydroxy-2-oxo-1-(2-trimethylsilylethoxymethyl)-3H-pyrido[2,3-b]pyrazine-4-carboxamide

C24H30F4N4O6Si — CID 131742335

About N-[1-[3-fluoro-4-(trifluoromethoxy)phenyl]-2-methoxyethyl]-7-hydroxy-2-oxo-1-(2-trimethylsilylethoxymethyl)-3H-pyrido[2,3-b]pyrazine-4-carboxamide

N-[1-[3-fluoro-4-(trifluoromethoxy)phenyl]-2-methoxyethyl]-7-hydroxy-2-oxo-1-(2-trimethylsilylethoxymethyl)-3H-pyrido[2,3-b]pyrazine-4-carboxamide (PubChem CID 131742335) has the molecular formula C24H30F4N4O6Si and a molecular weight of 574.60 g/mol. Its IUPAC name is N-[1-[3-fluoro-4-(trifluoromethoxy)phenyl]-2-methoxyethyl]-7-hydroxy-2-oxo-1-(2-trimethylsilylethoxymethyl)-3H-pyrido[2,3-b]pyrazine-4-carboxamide.

Molecular Properties

• Compound Name: N-[1-[3-fluoro-4-(trifluoromethoxy)phenyl]-2-methoxyethyl]-7-hydroxy-2-oxo-1-(2-trimethylsilylethoxymethyl)-3H-pyrido[2,3-b]pyrazine-4-carboxamide
• PubChem CID: 131742335
• Molecular Formula: C24H30F4N4O6Si
• Molecular Weight: 574.60 g/mol
• Exact Mass: 574.19
• IUPAC Name: N-[1-[3-fluoro-4-(trifluoromethoxy)phenyl]-2-methoxyethyl]-7-hydroxy-2-oxo-1-(2-trimethylsilylethoxymethyl)-3H-pyrido[2,3-b]pyrazine-4-carboxamide
• SMILES: COCC(NC(=O)N1CC(=O)N(COCC[Si](C)(C)C)c2cc(O)cnc21)c1ccc(OC(F)(F)F)c(F)c1
• InChI: InChI=1S/C24H30F4N4O6Si/c1-36-13-18(15-5-6-20(17(25)9-15)38-24(26,27)28)30-23(35)31-12-21(34)32(14-37-7-8-39(2,3)4)19-10-16(33)11-29-22(19)31/h5-6,9-11,18,33H,7-8,12-14H2,1-4H3,(H,30,35)
• InChIKey: JWRIAPGXOHEILG-UHFFFAOYSA-N
• XLogP: 4.39
• TPSA: 113.46 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	574.60
LogP ≤ 5	4.39
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-fluoro-4-(trifluoromethoxy)phenyl]-2-methoxyethyl]-7-hydroxy-2-oxo-1-(2-trimethylsilylethoxymethyl)-3H-pyrido[2,3-b]pyrazine-4-carboxamide?

The IUPAC name of N-[1-[3-fluoro-4-(trifluoromethoxy)phenyl]-2-methoxyethyl]-7-hydroxy-2-oxo-1-(2-trimethylsilylethoxymethyl)-3H-pyrido[2,3-b]pyrazine-4-carboxamide (CID 131742335) is N-[1-[3-fluoro-4-(trifluoromethoxy)phenyl]-2-methoxyethyl]-7-hydroxy-2-oxo-1-(2-trimethylsilylethoxymethyl)-3H-pyrido[2,3-b]pyrazine-4-carboxamide.

What is the SMILES notation for N-[1-[3-fluoro-4-(trifluoromethoxy)phenyl]-2-methoxyethyl]-7-hydroxy-2-oxo-1-(2-trimethylsilylethoxymethyl)-3H-pyrido[2,3-b]pyrazine-4-carboxamide?

The canonical SMILES for N-[1-[3-fluoro-4-(trifluoromethoxy)phenyl]-2-methoxyethyl]-7-hydroxy-2-oxo-1-(2-trimethylsilylethoxymethyl)-3H-pyrido[2,3-b]pyrazine-4-carboxamide is COCC(NC(=O)N1CC(=O)N(COCC[Si](C)(C)C)c2cc(O)cnc21)c1ccc(OC(F)(F)F)c(F)c1.

What is the InChIKey of N-[1-[3-fluoro-4-(trifluoromethoxy)phenyl]-2-methoxyethyl]-7-hydroxy-2-oxo-1-(2-trimethylsilylethoxymethyl)-3H-pyrido[2,3-b]pyrazine-4-carboxamide?

The InChIKey is JWRIAPGXOHEILG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30F4N4O6Si/c1-36-13-18(15-5-6-20(17(25)9-15)38-24(26,27)28)30-23(35)31-12-21(34)32(14-37-7-8-39(2,3)4)19-10-16(33)11-29-22(19)31/h5-6,9-11,18,33H,7-8,12-14H2,1-4H3,(H,30,35).

What are the key properties of N-[1-[3-fluoro-4-(trifluoromethoxy)phenyl]-2-methoxyethyl]-7-hydroxy-2-oxo-1-(2-trimethylsilylethoxymethyl)-3H-pyrido[2,3-b]pyrazine-4-carboxamide?

N-[1-[3-fluoro-4-(trifluoromethoxy)phenyl]-2-methoxyethyl]-7-hydroxy-2-oxo-1-(2-trimethylsilylethoxymethyl)-3H-pyrido[2,3-b]pyrazine-4-carboxamide has a molecular weight of 574.60 g/mol, XLogP of 4.39, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[3-fluoro-4-(trifluoromethoxy)phenyl]-2-methoxyethyl]-7-hydroxy-2-oxo-1-(2-trimethylsilylethoxymethyl)-3H-pyrido[2,3-b]pyrazine-4-carboxamide is sourced from PubChem (CID 131742335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).