N-(furan-2-ylmethyl)-2-[3-methyl-1-(4-methylphenyl)-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxyacetamide

C₂₂H₁₉F₃N₄O₃ — CID 50791149

About N-(furan-2-ylmethyl)-2-[3-methyl-1-(4-methylphenyl)-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxyacetamide

N-(furan-2-ylmethyl)-2-[3-methyl-1-(4-methylphenyl)-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxyacetamide (PubChem CID 50791149) has the molecular formula C₂₂H₁₉F₃N₄O₃ and a molecular weight of 444.41 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-[3-methyl-1-(4-methylphenyl)-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxyacetamide.

Molecular Properties

• Compound Name: N-(furan-2-ylmethyl)-2-[3-methyl-1-(4-methylphenyl)-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxyacetamide
• PubChem CID: 50791149
• Molecular Formula: C₂₂H₁₉F₃N₄O₃
• Molecular Weight: 444.41 g/mol
• Exact Mass: 444.14
• IUPAC Name: N-(furan-2-ylmethyl)-2-[3-methyl-1-(4-methylphenyl)-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxyacetamide
• SMILES: Cc1ccc(-n2nc(C)c3c(C(F)(F)F)cc(OCC(=O)NCc4ccco4)nc32)cc1
• InChI: InChI=1S/C22H19F3N4O3/c1-13-5-7-15(8-6-13)29-21-20(14(2)28-29)17(22(23,24)25)10-19(27-21)32-12-18(30)26-11-16-4-3-9-31-16/h3-10H,11-12H2,1-2H3,(H,26,30)
• InChIKey: RERROLGIUUSGRA-UHFFFAOYSA-N
• XLogP: 4.34
• TPSA: 82.18 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	444.41
LogP ≤ 5	4.34
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-[3-methyl-1-(4-methylphenyl)-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxyacetamide?

The IUPAC name of N-(furan-2-ylmethyl)-2-[3-methyl-1-(4-methylphenyl)-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxyacetamide (CID 50791149) is N-(furan-2-ylmethyl)-2-[3-methyl-1-(4-methylphenyl)-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxyacetamide.

What is the SMILES notation for N-(furan-2-ylmethyl)-2-[3-methyl-1-(4-methylphenyl)-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxyacetamide?

The canonical SMILES for N-(furan-2-ylmethyl)-2-[3-methyl-1-(4-methylphenyl)-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxyacetamide is Cc1ccc(-n2nc(C)c3c(C(F)(F)F)cc(OCC(=O)NCc4ccco4)nc32)cc1.

What is the InChIKey of N-(furan-2-ylmethyl)-2-[3-methyl-1-(4-methylphenyl)-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxyacetamide?

The InChIKey is RERROLGIUUSGRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F3N4O3/c1-13-5-7-15(8-6-13)29-21-20(14(2)28-29)17(22(23,24)25)10-19(27-21)32-12-18(30)26-11-16-4-3-9-31-16/h3-10H,11-12H2,1-2H3,(H,26,30).

What are the key properties of N-(furan-2-ylmethyl)-2-[3-methyl-1-(4-methylphenyl)-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxyacetamide?

N-(furan-2-ylmethyl)-2-[3-methyl-1-(4-methylphenyl)-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxyacetamide has a molecular weight of 444.41 g/mol, XLogP of 4.34, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(furan-2-ylmethyl)-2-[3-methyl-1-(4-methylphenyl)-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxyacetamide is sourced from PubChem (CID 50791149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 50791149 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.