6-[4-ethyl-3-(hydroxymethyl)-5-oxo-1,2,4-triazol-1-yl]-5-fluoro-N-(3-fluoro-6-methoxy-2-pyridinyl)-2-(1,1,1-trifluoropropan-2-yloxy)pyridine-3-carboxamide

C20H19F5N6O5 — CID 154983895

About 6-[4-ethyl-3-(hydroxymethyl)-5-oxo-1,2,4-triazol-1-yl]-5-fluoro-N-(3-fluoro-6-methoxy-2-pyridinyl)-2-(1,1,1-trifluoropropan-2-yloxy)pyridine-3-carboxamide

6-[4-ethyl-3-(hydroxymethyl)-5-oxo-1,2,4-triazol-1-yl]-5-fluoro-N-(3-fluoro-6-methoxy-2-pyridinyl)-2-(1,1,1-trifluoropropan-2-yloxy)pyridine-3-carboxamide (PubChem CID 154983895) has the molecular formula C20H19F5N6O5 and a molecular weight of 518.40 g/mol. Its IUPAC name is 6-[4-ethyl-3-(hydroxymethyl)-5-oxo-1,2,4-triazol-1-yl]-5-fluoro-N-(3-fluoro-6-methoxy-2-pyridinyl)-2-(1,1,1-trifluoropropan-2-yloxy)pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 6-[4-ethyl-3-(hydroxymethyl)-5-oxo-1,2,4-triazol-1-yl]-5-fluoro-N-(3-fluoro-6-methoxy-2-pyridinyl)-2-(1,1,1-trifluoropropan-2-yloxy)pyridine-3-carboxamide
• PubChem CID: 154983895
• Molecular Formula: C20H19F5N6O5
• Molecular Weight: 518.40 g/mol
• Exact Mass: 518.13
• IUPAC Name: 6-[4-ethyl-3-(hydroxymethyl)-5-oxo-1,2,4-triazol-1-yl]-5-fluoro-N-(3-fluoro-6-methoxy-2-pyridinyl)-2-(1,1,1-trifluoropropan-2-yloxy)pyridine-3-carboxamide
• SMILES: CCn1c(CO)nn(-c2nc(OC(C)C(F)(F)F)c(C(=O)Nc3nc(OC)ccc3F)cc2F)c1=O
• InChI: InChI=1S/C20H19F5N6O5/c1-4-30-13(8-32)29-31(19(30)34)16-12(22)7-10(18(28-16)36-9(2)20(23,24)25)17(33)27-15-11(21)5-6-14(26-15)35-3/h5-7,9,32H,4,8H2,1-3H3,(H,26,27,33)
• InChIKey: ARBUITNSLLNMGU-UHFFFAOYSA-N
• XLogP: 2.20
• TPSA: 133.39 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	518.40
LogP ≤ 5	2.20
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

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-fluoro-6-methoxy-2-pyridinyl)-2-(1,1,1-trifluoropropan-2-yloxy)pyridine-3-carboxamide?

The IUPAC name of 6-[4-ethyl-3-(hydroxymethyl)-5-oxo-1,2,4-triazol-1-yl]-5-fluoro-N-(3-fluoro-6-methoxy-2-pyridinyl)-2-(1,1,1-trifluoropropan-2-yloxy)pyridine-3-carboxamide (CID 154983895) is 6-[4-ethyl-3-(hydroxymethyl)-5-oxo-1,2,4-triazol-1-yl]-5-fluoro-N-(3-fluoro-6-methoxy-2-pyridinyl)-2-(1,1,1-trifluoropropan-2-yloxy)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-fluoro-6-methoxy-2-pyridinyl)-2-(1,1,1-trifluoropropan-2-yloxy)pyridine-3-carboxamide?

The canonical SMILES for 6-[4-ethyl-3-(hydroxymethyl)-5-oxo-1,2,4-triazol-1-yl]-5-fluoro-N-(3-fluoro-6-methoxy-2-pyridinyl)-2-(1,1,1-trifluoropropan-2-yloxy)pyridine-3-carboxamide is CCn1c(CO)nn(-c2nc(OC(C)C(F)(F)F)c(C(=O)Nc3nc(OC)ccc3F)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-fluoro-6-methoxy-2-pyridinyl)-2-(1,1,1-trifluoropropan-2-yloxy)pyridine-3-carboxamide?

The InChIKey is ARBUITNSLLNMGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F5N6O5/c1-4-30-13(8-32)29-31(19(30)34)16-12(22)7-10(18(28-16)36-9(2)20(23,24)25)17(33)27-15-11(21)5-6-14(26-15)35-3/h5-7,9,32H,4,8H2,1-3H3,(H,26,27,33).

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

6-[4-ethyl-3-(hydroxymethyl)-5-oxo-1,2,4-triazol-1-yl]-5-fluoro-N-(3-fluoro-6-methoxy-2-pyridinyl)-2-(1,1,1-trifluoropropan-2-yloxy)pyridine-3-carboxamide has a molecular weight of 518.40 g/mol, XLogP of 2.20, 8 rotatable bonds, 2 hydrogen bond donors, and 10 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-fluoro-6-methoxy-2-pyridinyl)-2-(1,1,1-trifluoropropan-2-yloxy)pyridine-3-carboxamide is sourced from PubChem (CID 154983895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).