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

C26H28N4O2 — CID 50799039

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

N-benzyl-2-[4-ethyl-3-methyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridin-6-yl]oxy-N-methylacetamide (PubChem CID 50799039) has the molecular formula C26H28N4O2 and a molecular weight of 428.54 g/mol. Its IUPAC name is N-benzyl-2-[4-ethyl-3-methyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridin-6-yl]oxy-N-methylacetamide.

Molecular Properties

• Compound Name: N-benzyl-2-[4-ethyl-3-methyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridin-6-yl]oxy-N-methylacetamide
• PubChem CID: 50799039
• Molecular Formula: C26H28N4O2
• Molecular Weight: 428.54 g/mol
• Exact Mass: 428.22
• IUPAC Name: N-benzyl-2-[4-ethyl-3-methyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridin-6-yl]oxy-N-methylacetamide
• SMILES: CCc1cc(OCC(=O)N(C)Cc2ccccc2)nc2c1c(C)nn2-c1ccc(C)cc1
• InChI: InChI=1S/C26H28N4O2/c1-5-21-15-23(32-17-24(31)29(4)16-20-9-7-6-8-10-20)27-26-25(21)19(3)28-30(26)22-13-11-18(2)12-14-22/h6-15H,5,16-17H2,1-4H3
• InChIKey: DQHNEMJAICTVNV-UHFFFAOYSA-N
• XLogP: 4.64
• TPSA: 60.25 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	428.54
LogP ≤ 5	4.64
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of N-benzyl-2-[4-ethyl-3-methyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridin-6-yl]oxy-N-methylacetamide (CID 50799039) is N-benzyl-2-[4-ethyl-3-methyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridin-6-yl]oxy-N-methylacetamide.

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

The canonical SMILES for N-benzyl-2-[4-ethyl-3-methyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridin-6-yl]oxy-N-methylacetamide is CCc1cc(OCC(=O)N(C)Cc2ccccc2)nc2c1c(C)nn2-c1ccc(C)cc1.

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

The InChIKey is DQHNEMJAICTVNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O2/c1-5-21-15-23(32-17-24(31)29(4)16-20-9-7-6-8-10-20)27-26-25(21)19(3)28-30(26)22-13-11-18(2)12-14-22/h6-15H,5,16-17H2,1-4H3.

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

N-benzyl-2-[4-ethyl-3-methyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridin-6-yl]oxy-N-methylacetamide has a molecular weight of 428.54 g/mol, XLogP of 4.64, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-benzyl-2-[4-ethyl-3-methyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridin-6-yl]oxy-N-methylacetamide is sourced from PubChem (CID 50799039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).