2-[1-(4-ethylphenyl)-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxy-N-(4-methoxyphenyl)acetamide

C25H23F3N4O3 — CID 50791402

About 2-[1-(4-ethylphenyl)-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxy-N-(4-methoxyphenyl)acetamide

2-[1-(4-ethylphenyl)-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxy-N-(4-methoxyphenyl)acetamide (PubChem CID 50791402) has the molecular formula C25H23F3N4O3 and a molecular weight of 484.48 g/mol. Its IUPAC name is 2-[1-(4-ethylphenyl)-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxy-N-(4-methoxyphenyl)acetamide.

Molecular Properties

• Compound Name: 2-[1-(4-ethylphenyl)-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxy-N-(4-methoxyphenyl)acetamide
• PubChem CID: 50791402
• Molecular Formula: C25H23F3N4O3
• Molecular Weight: 484.48 g/mol
• Exact Mass: 484.17
• IUPAC Name: 2-[1-(4-ethylphenyl)-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxy-N-(4-methoxyphenyl)acetamide
• SMILES: CCc1ccc(-n2nc(C)c3c(C(F)(F)F)cc(OCC(=O)Nc4ccc(OC)cc4)nc32)cc1
• InChI: InChI=1S/C25H23F3N4O3/c1-4-16-5-9-18(10-6-16)32-24-23(15(2)31-32)20(25(26,27)28)13-22(30-24)35-14-21(33)29-17-7-11-19(34-3)12-8-17/h5-13H,4,14H2,1-3H3,(H,29,33)
• InChIKey: UJZWAOKHGFKNOP-UHFFFAOYSA-N
• XLogP: 5.34
• TPSA: 78.27 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	484.48
LogP ≤ 5	5.34
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-ethylphenyl)-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxy-N-(4-methoxyphenyl)acetamide?

The IUPAC name of 2-[1-(4-ethylphenyl)-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxy-N-(4-methoxyphenyl)acetamide (CID 50791402) is 2-[1-(4-ethylphenyl)-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxy-N-(4-methoxyphenyl)acetamide.

What is the SMILES notation for 2-[1-(4-ethylphenyl)-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxy-N-(4-methoxyphenyl)acetamide?

The canonical SMILES for 2-[1-(4-ethylphenyl)-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxy-N-(4-methoxyphenyl)acetamide is CCc1ccc(-n2nc(C)c3c(C(F)(F)F)cc(OCC(=O)Nc4ccc(OC)cc4)nc32)cc1.

What is the InChIKey of 2-[1-(4-ethylphenyl)-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxy-N-(4-methoxyphenyl)acetamide?

The InChIKey is UJZWAOKHGFKNOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23F3N4O3/c1-4-16-5-9-18(10-6-16)32-24-23(15(2)31-32)20(25(26,27)28)13-22(30-24)35-14-21(33)29-17-7-11-19(34-3)12-8-17/h5-13H,4,14H2,1-3H3,(H,29,33).

What are the key properties of 2-[1-(4-ethylphenyl)-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxy-N-(4-methoxyphenyl)acetamide?

2-[1-(4-ethylphenyl)-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxy-N-(4-methoxyphenyl)acetamide has a molecular weight of 484.48 g/mol, XLogP of 5.34, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1-(4-ethylphenyl)-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxy-N-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 50791402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).