N-[4-(2,4-difluorophenoxy)-3-(4-ethoxy-1-methyl-6-oxo-3-pyridinyl)phenyl]-2-pyrazol-1-ylacetamide

C25H22F2N4O4 — CID 118117060

About N-[4-(2,4-difluorophenoxy)-3-(4-ethoxy-1-methyl-6-oxo-3-pyridinyl)phenyl]-2-pyrazol-1-ylacetamide

N-[4-(2,4-difluorophenoxy)-3-(4-ethoxy-1-methyl-6-oxo-3-pyridinyl)phenyl]-2-pyrazol-1-ylacetamide (PubChem CID 118117060) has the molecular formula C25H22F2N4O4 and a molecular weight of 480.47 g/mol. Its IUPAC name is N-[4-(2,4-difluorophenoxy)-3-(4-ethoxy-1-methyl-6-oxo-3-pyridinyl)phenyl]-2-pyrazol-1-ylacetamide.

Molecular Properties

• Compound Name: N-[4-(2,4-difluorophenoxy)-3-(4-ethoxy-1-methyl-6-oxo-3-pyridinyl)phenyl]-2-pyrazol-1-ylacetamide
• PubChem CID: 118117060
• Molecular Formula: C25H22F2N4O4
• Molecular Weight: 480.47 g/mol
• Exact Mass: 480.16
• IUPAC Name: N-[4-(2,4-difluorophenoxy)-3-(4-ethoxy-1-methyl-6-oxo-3-pyridinyl)phenyl]-2-pyrazol-1-ylacetamide
• SMILES: CCOc1cc(=O)n(C)cc1-c1cc(NC(=O)Cn2cccn2)ccc1Oc1ccc(F)cc1F
• InChI: InChI=1S/C25H22F2N4O4/c1-3-34-23-13-25(33)30(2)14-19(23)18-12-17(29-24(32)15-31-10-4-9-28-31)6-8-21(18)35-22-7-5-16(26)11-20(22)27/h4-14H,3,15H2,1-2H3,(H,29,32)
• InChIKey: UMUHBVNINNPUAQ-UHFFFAOYSA-N
• XLogP: 4.36
• TPSA: 87.38 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	480.47
LogP ≤ 5	4.36
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,4-difluorophenoxy)-3-(4-ethoxy-1-methyl-6-oxo-3-pyridinyl)phenyl]-2-pyrazol-1-ylacetamide?

The IUPAC name of N-[4-(2,4-difluorophenoxy)-3-(4-ethoxy-1-methyl-6-oxo-3-pyridinyl)phenyl]-2-pyrazol-1-ylacetamide (CID 118117060) is N-[4-(2,4-difluorophenoxy)-3-(4-ethoxy-1-methyl-6-oxo-3-pyridinyl)phenyl]-2-pyrazol-1-ylacetamide.

What is the SMILES notation for N-[4-(2,4-difluorophenoxy)-3-(4-ethoxy-1-methyl-6-oxo-3-pyridinyl)phenyl]-2-pyrazol-1-ylacetamide?

The canonical SMILES for N-[4-(2,4-difluorophenoxy)-3-(4-ethoxy-1-methyl-6-oxo-3-pyridinyl)phenyl]-2-pyrazol-1-ylacetamide is CCOc1cc(=O)n(C)cc1-c1cc(NC(=O)Cn2cccn2)ccc1Oc1ccc(F)cc1F.

What is the InChIKey of N-[4-(2,4-difluorophenoxy)-3-(4-ethoxy-1-methyl-6-oxo-3-pyridinyl)phenyl]-2-pyrazol-1-ylacetamide?

The InChIKey is UMUHBVNINNPUAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22F2N4O4/c1-3-34-23-13-25(33)30(2)14-19(23)18-12-17(29-24(32)15-31-10-4-9-28-31)6-8-21(18)35-22-7-5-16(26)11-20(22)27/h4-14H,3,15H2,1-2H3,(H,29,32).

What are the key properties of N-[4-(2,4-difluorophenoxy)-3-(4-ethoxy-1-methyl-6-oxo-3-pyridinyl)phenyl]-2-pyrazol-1-ylacetamide?

N-[4-(2,4-difluorophenoxy)-3-(4-ethoxy-1-methyl-6-oxo-3-pyridinyl)phenyl]-2-pyrazol-1-ylacetamide has a molecular weight of 480.47 g/mol, XLogP of 4.36, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(2,4-difluorophenoxy)-3-(4-ethoxy-1-methyl-6-oxo-3-pyridinyl)phenyl]-2-pyrazol-1-ylacetamide is sourced from PubChem (CID 118117060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).