N-[5-(6-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-8-oxo-7-(2-trimethylsilylethoxymethyl)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide

C25H30N6O4Si — CID 178122048

About N-[5-(6-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-8-oxo-7-(2-trimethylsilylethoxymethyl)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide

N-[5-(6-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-8-oxo-7-(2-trimethylsilylethoxymethyl)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide (PubChem CID 178122048) has the molecular formula C25H30N6O4Si and a molecular weight of 506.64 g/mol. Its IUPAC name is N-[5-(6-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-8-oxo-7-(2-trimethylsilylethoxymethyl)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide.

Molecular Properties

• Compound Name: N-[5-(6-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-8-oxo-7-(2-trimethylsilylethoxymethyl)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
• PubChem CID: 178122048
• Molecular Formula: C25H30N6O4Si
• Molecular Weight: 506.64 g/mol
• Exact Mass: 506.21
• IUPAC Name: N-[5-(6-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-8-oxo-7-(2-trimethylsilylethoxymethyl)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
• SMILES: COc1ccc2nc(-c3cn(COCC[Si](C)(C)C)c(=O)c4cnc(NC(=O)C5CC5)cc34)nn2c1
• InChI: InChI=1S/C25H30N6O4Si/c1-34-17-7-8-22-28-23(29-31(22)13-17)20-14-30(15-35-9-10-36(2,3)4)25(33)19-12-26-21(11-18(19)20)27-24(32)16-5-6-16/h7-8,11-14,16H,5-6,9-10,15H2,1-4H3,(H,26,27,32)
• InChIKey: AWVHOGUIBSXLCG-UHFFFAOYSA-N
• XLogP: 3.78
• TPSA: 112.64 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	506.64
LogP ≤ 5	3.78
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

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-[5-(6-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-8-oxo-7-(2-trimethylsilylethoxymethyl)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide?

The IUPAC name of N-[5-(6-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-8-oxo-7-(2-trimethylsilylethoxymethyl)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide (CID 178122048) is N-[5-(6-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-8-oxo-7-(2-trimethylsilylethoxymethyl)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide.

What is the SMILES notation for N-[5-(6-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-8-oxo-7-(2-trimethylsilylethoxymethyl)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide?

The canonical SMILES for N-[5-(6-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-8-oxo-7-(2-trimethylsilylethoxymethyl)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide is COc1ccc2nc(-c3cn(COCC[Si](C)(C)C)c(=O)c4cnc(NC(=O)C5CC5)cc34)nn2c1.

What is the InChIKey of N-[5-(6-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-8-oxo-7-(2-trimethylsilylethoxymethyl)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide?

The InChIKey is AWVHOGUIBSXLCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N6O4Si/c1-34-17-7-8-22-28-23(29-31(22)13-17)20-14-30(15-35-9-10-36(2,3)4)25(33)19-12-26-21(11-18(19)20)27-24(32)16-5-6-16/h7-8,11-14,16H,5-6,9-10,15H2,1-4H3,(H,26,27,32).

What are the key properties of N-[5-(6-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-8-oxo-7-(2-trimethylsilylethoxymethyl)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide?

N-[5-(6-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-8-oxo-7-(2-trimethylsilylethoxymethyl)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide has a molecular weight of 506.64 g/mol, XLogP of 3.78, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-(6-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-8-oxo-7-(2-trimethylsilylethoxymethyl)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide is sourced from PubChem (CID 178122048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).