6-[4-ethyl-3-(hydroxymethyl)-5-oxo-1,2,4-triazol-1-yl]-5-fluoro-N-(3-methoxypyrazin-2-yl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide

C18H17F4N7O5 — CID 154642177

About 6-[4-ethyl-3-(hydroxymethyl)-5-oxo-1,2,4-triazol-1-yl]-5-fluoro-N-(3-methoxypyrazin-2-yl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide

6-[4-ethyl-3-(hydroxymethyl)-5-oxo-1,2,4-triazol-1-yl]-5-fluoro-N-(3-methoxypyrazin-2-yl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide (PubChem CID 154642177) has the molecular formula C18H17F4N7O5 and a molecular weight of 487.37 g/mol. Its IUPAC name is 6-[4-ethyl-3-(hydroxymethyl)-5-oxo-1,2,4-triazol-1-yl]-5-fluoro-N-(3-methoxypyrazin-2-yl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 6-[4-ethyl-3-(hydroxymethyl)-5-oxo-1,2,4-triazol-1-yl]-5-fluoro-N-(3-methoxypyrazin-2-yl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
• PubChem CID: 154642177
• Molecular Formula: C18H17F4N7O5
• Molecular Weight: 487.37 g/mol
• Exact Mass: 487.12
• IUPAC Name: 6-[4-ethyl-3-(hydroxymethyl)-5-oxo-1,2,4-triazol-1-yl]-5-fluoro-N-(3-methoxypyrazin-2-yl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
• SMILES: CCn1c(CO)nn(-c2nc(OCC(F)(F)F)c(C(=O)Nc3nccnc3OC)cc2F)c1=O
• InChI: InChI=1S/C18H17F4N7O5/c1-3-28-11(7-30)27-29(17(28)32)13-10(19)6-9(15(26-13)34-8-18(20,21)22)14(31)25-12-16(33-2)24-5-4-23-12/h4-6,30H,3,7-8H2,1-2H3,(H,23,25,31)
• InChIKey: HDAURNHGMJRVQQ-UHFFFAOYSA-N
• XLogP: 1.07
• TPSA: 146.28 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	487.37
LogP ≤ 5	1.07
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 6-[4-ethyl-3-(hydroxymethyl)-5-oxo-1,2,4-triazol-1-yl]-5-fluoro-N-(3-methoxypyrazin-2-yl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?

The IUPAC name of 6-[4-ethyl-3-(hydroxymethyl)-5-oxo-1,2,4-triazol-1-yl]-5-fluoro-N-(3-methoxypyrazin-2-yl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide (CID 154642177) is 6-[4-ethyl-3-(hydroxymethyl)-5-oxo-1,2,4-triazol-1-yl]-5-fluoro-N-(3-methoxypyrazin-2-yl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide.

What is the SMILES notation for 6-[4-ethyl-3-(hydroxymethyl)-5-oxo-1,2,4-triazol-1-yl]-5-fluoro-N-(3-methoxypyrazin-2-yl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?

The canonical SMILES for 6-[4-ethyl-3-(hydroxymethyl)-5-oxo-1,2,4-triazol-1-yl]-5-fluoro-N-(3-methoxypyrazin-2-yl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide is CCn1c(CO)nn(-c2nc(OCC(F)(F)F)c(C(=O)Nc3nccnc3OC)cc2F)c1=O.

What is the InChIKey of 6-[4-ethyl-3-(hydroxymethyl)-5-oxo-1,2,4-triazol-1-yl]-5-fluoro-N-(3-methoxypyrazin-2-yl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?

The InChIKey is HDAURNHGMJRVQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F4N7O5/c1-3-28-11(7-30)27-29(17(28)32)13-10(19)6-9(15(26-13)34-8-18(20,21)22)14(31)25-12-16(33-2)24-5-4-23-12/h4-6,30H,3,7-8H2,1-2H3,(H,23,25,31).

What are the key properties of 6-[4-ethyl-3-(hydroxymethyl)-5-oxo-1,2,4-triazol-1-yl]-5-fluoro-N-(3-methoxypyrazin-2-yl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?

6-[4-ethyl-3-(hydroxymethyl)-5-oxo-1,2,4-triazol-1-yl]-5-fluoro-N-(3-methoxypyrazin-2-yl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide has a molecular weight of 487.37 g/mol, XLogP of 1.07, 8 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[4-ethyl-3-(hydroxymethyl)-5-oxo-1,2,4-triazol-1-yl]-5-fluoro-N-(3-methoxypyrazin-2-yl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide is sourced from PubChem (CID 154642177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).