N-(3-chloro-5-methyl-1H-pyrazol-4-yl)-6-[4-ethyl-3-(hydroxymethyl)-5-oxo-1,2,4-triazol-1-yl]-5-fluoro-2-(1,1,1-trifluoropropan-2-yloxy)pyridine-3-carboxamide

C18H18ClF4N7O4 — CID 154983963

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

N-(3-chloro-5-methyl-1H-pyrazol-4-yl)-6-[4-ethyl-3-(hydroxymethyl)-5-oxo-1,2,4-triazol-1-yl]-5-fluoro-2-(1,1,1-trifluoropropan-2-yloxy)pyridine-3-carboxamide (PubChem CID 154983963) has the molecular formula C18H18ClF4N7O4 and a molecular weight of 507.83 g/mol. Its IUPAC name is N-(3-chloro-5-methyl-1H-pyrazol-4-yl)-6-[4-ethyl-3-(hydroxymethyl)-5-oxo-1,2,4-triazol-1-yl]-5-fluoro-2-(1,1,1-trifluoropropan-2-yloxy)pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-(3-chloro-5-methyl-1H-pyrazol-4-yl)-6-[4-ethyl-3-(hydroxymethyl)-5-oxo-1,2,4-triazol-1-yl]-5-fluoro-2-(1,1,1-trifluoropropan-2-yloxy)pyridine-3-carboxamide
• PubChem CID: 154983963
• Molecular Formula: C18H18ClF4N7O4
• Molecular Weight: 507.83 g/mol
• Exact Mass: 507.10
• IUPAC Name: N-(3-chloro-5-methyl-1H-pyrazol-4-yl)-6-[4-ethyl-3-(hydroxymethyl)-5-oxo-1,2,4-triazol-1-yl]-5-fluoro-2-(1,1,1-trifluoropropan-2-yloxy)pyridine-3-carboxamide
• SMILES: CCn1c(CO)nn(-c2nc(OC(C)C(F)(F)F)c(C(=O)Nc3c(Cl)n[nH]c3C)cc2F)c1=O
• InChI: InChI=1S/C18H18ClF4N7O4/c1-4-29-11(6-31)28-30(17(29)33)14-10(20)5-9(16(25-14)34-8(3)18(21,22)23)15(32)24-12-7(2)26-27-13(12)19/h5,8,31H,4,6H2,1-3H3,(H,24,32)(H,26,27)
• InChIKey: ZYBYINXJTFYJJJ-UHFFFAOYSA-N
• XLogP: 2.35
• TPSA: 139.95 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	507.83
LogP ≤ 5	2.35
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-5-methyl-1H-pyrazol-4-yl)-6-[4-ethyl-3-(hydroxymethyl)-5-oxo-1,2,4-triazol-1-yl]-5-fluoro-2-(1,1,1-trifluoropropan-2-yloxy)pyridine-3-carboxamide?

The IUPAC name of N-(3-chloro-5-methyl-1H-pyrazol-4-yl)-6-[4-ethyl-3-(hydroxymethyl)-5-oxo-1,2,4-triazol-1-yl]-5-fluoro-2-(1,1,1-trifluoropropan-2-yloxy)pyridine-3-carboxamide (CID 154983963) is N-(3-chloro-5-methyl-1H-pyrazol-4-yl)-6-[4-ethyl-3-(hydroxymethyl)-5-oxo-1,2,4-triazol-1-yl]-5-fluoro-2-(1,1,1-trifluoropropan-2-yloxy)pyridine-3-carboxamide.

What is the SMILES notation for N-(3-chloro-5-methyl-1H-pyrazol-4-yl)-6-[4-ethyl-3-(hydroxymethyl)-5-oxo-1,2,4-triazol-1-yl]-5-fluoro-2-(1,1,1-trifluoropropan-2-yloxy)pyridine-3-carboxamide?

The canonical SMILES for N-(3-chloro-5-methyl-1H-pyrazol-4-yl)-6-[4-ethyl-3-(hydroxymethyl)-5-oxo-1,2,4-triazol-1-yl]-5-fluoro-2-(1,1,1-trifluoropropan-2-yloxy)pyridine-3-carboxamide is CCn1c(CO)nn(-c2nc(OC(C)C(F)(F)F)c(C(=O)Nc3c(Cl)n[nH]c3C)cc2F)c1=O.

What is the InChIKey of N-(3-chloro-5-methyl-1H-pyrazol-4-yl)-6-[4-ethyl-3-(hydroxymethyl)-5-oxo-1,2,4-triazol-1-yl]-5-fluoro-2-(1,1,1-trifluoropropan-2-yloxy)pyridine-3-carboxamide?

The InChIKey is ZYBYINXJTFYJJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClF4N7O4/c1-4-29-11(6-31)28-30(17(29)33)14-10(20)5-9(16(25-14)34-8(3)18(21,22)23)15(32)24-12-7(2)26-27-13(12)19/h5,8,31H,4,6H2,1-3H3,(H,24,32)(H,26,27).

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

N-(3-chloro-5-methyl-1H-pyrazol-4-yl)-6-[4-ethyl-3-(hydroxymethyl)-5-oxo-1,2,4-triazol-1-yl]-5-fluoro-2-(1,1,1-trifluoropropan-2-yloxy)pyridine-3-carboxamide has a molecular weight of 507.83 g/mol, XLogP of 2.35, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-chloro-5-methyl-1H-pyrazol-4-yl)-6-[4-ethyl-3-(hydroxymethyl)-5-oxo-1,2,4-triazol-1-yl]-5-fluoro-2-(1,1,1-trifluoropropan-2-yloxy)pyridine-3-carboxamide is sourced from PubChem (CID 154983963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).