2-[4-ethyl-3-methyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridin-6-yl]oxy-N-(3-methylbutyl)acetamide

C23H30N4O2 — CID 50799068

About 2-[4-ethyl-3-methyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridin-6-yl]oxy-N-(3-methylbutyl)acetamide

2-[4-ethyl-3-methyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridin-6-yl]oxy-N-(3-methylbutyl)acetamide (PubChem CID 50799068) has the molecular formula C23H30N4O2 and a molecular weight of 394.52 g/mol. Its IUPAC name is 2-[4-ethyl-3-methyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridin-6-yl]oxy-N-(3-methylbutyl)acetamide.

Molecular Properties

• Compound Name: 2-[4-ethyl-3-methyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridin-6-yl]oxy-N-(3-methylbutyl)acetamide
• PubChem CID: 50799068
• Molecular Formula: C23H30N4O2
• Molecular Weight: 394.52 g/mol
• Exact Mass: 394.24
• IUPAC Name: 2-[4-ethyl-3-methyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridin-6-yl]oxy-N-(3-methylbutyl)acetamide
• SMILES: CCc1cc(OCC(=O)NCCC(C)C)nc2c1c(C)nn2-c1ccc(C)cc1
• InChI: InChI=1S/C23H30N4O2/c1-6-18-13-21(29-14-20(28)24-12-11-15(2)3)25-23-22(18)17(5)26-27(23)19-9-7-16(4)8-10-19/h7-10,13,15H,6,11-12,14H2,1-5H3,(H,24,28)
• InChIKey: NAICAZSGHBULFP-UHFFFAOYSA-N
• XLogP: 4.14
• TPSA: 69.04 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	394.52
LogP ≤ 5	4.14
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 2-[4-ethyl-3-methyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridin-6-yl]oxy-N-(3-methylbutyl)acetamide (CID 50799068) is 2-[4-ethyl-3-methyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridin-6-yl]oxy-N-(3-methylbutyl)acetamide.

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

The canonical SMILES for 2-[4-ethyl-3-methyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridin-6-yl]oxy-N-(3-methylbutyl)acetamide is CCc1cc(OCC(=O)NCCC(C)C)nc2c1c(C)nn2-c1ccc(C)cc1.

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

The InChIKey is NAICAZSGHBULFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O2/c1-6-18-13-21(29-14-20(28)24-12-11-15(2)3)25-23-22(18)17(5)26-27(23)19-9-7-16(4)8-10-19/h7-10,13,15H,6,11-12,14H2,1-5H3,(H,24,28).

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

2-[4-ethyl-3-methyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridin-6-yl]oxy-N-(3-methylbutyl)acetamide has a molecular weight of 394.52 g/mol, XLogP of 4.14, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-ethyl-3-methyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridin-6-yl]oxy-N-(3-methylbutyl)acetamide is sourced from PubChem (CID 50799068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).