2-(4-methyl-1,3-diphenylpyrazolo[5,4-b]pyridin-6-yl)oxy-N-(1-phenylethyl)acetamide

C29H26N4O2 — CID 50799206

About 2-(4-methyl-1,3-diphenylpyrazolo[5,4-b]pyridin-6-yl)oxy-N-(1-phenylethyl)acetamide

2-(4-methyl-1,3-diphenylpyrazolo[5,4-b]pyridin-6-yl)oxy-N-(1-phenylethyl)acetamide (PubChem CID 50799206) has the molecular formula C29H26N4O2 and a molecular weight of 462.55 g/mol. Its IUPAC name is 2-(4-methyl-1,3-diphenylpyrazolo[5,4-b]pyridin-6-yl)oxy-N-(1-phenylethyl)acetamide.

Molecular Properties

• Compound Name: 2-(4-methyl-1,3-diphenylpyrazolo[5,4-b]pyridin-6-yl)oxy-N-(1-phenylethyl)acetamide
• PubChem CID: 50799206
• Molecular Formula: C29H26N4O2
• Molecular Weight: 462.55 g/mol
• Exact Mass: 462.21
• IUPAC Name: 2-(4-methyl-1,3-diphenylpyrazolo[5,4-b]pyridin-6-yl)oxy-N-(1-phenylethyl)acetamide
• SMILES: Cc1cc(OCC(=O)NC(C)c2ccccc2)nc2c1c(-c1ccccc1)nn2-c1ccccc1
• InChI: InChI=1S/C29H26N4O2/c1-20-18-26(35-19-25(34)30-21(2)22-12-6-3-7-13-22)31-29-27(20)28(23-14-8-4-9-15-23)32-33(29)24-16-10-5-11-17-24/h3-18,21H,19H2,1-2H3,(H,30,34)
• InChIKey: ISPRQDGGKNCEOG-UHFFFAOYSA-N
• XLogP: 5.65
• TPSA: 69.04 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	462.55
LogP ≤ 5	5.65
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 2-(4-methyl-1,3-diphenylpyrazolo[5,4-b]pyridin-6-yl)oxy-N-(1-phenylethyl)acetamide (CID 50799206) is 2-(4-methyl-1,3-diphenylpyrazolo[5,4-b]pyridin-6-yl)oxy-N-(1-phenylethyl)acetamide.

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

The canonical SMILES for 2-(4-methyl-1,3-diphenylpyrazolo[5,4-b]pyridin-6-yl)oxy-N-(1-phenylethyl)acetamide is Cc1cc(OCC(=O)NC(C)c2ccccc2)nc2c1c(-c1ccccc1)nn2-c1ccccc1.

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

The InChIKey is ISPRQDGGKNCEOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26N4O2/c1-20-18-26(35-19-25(34)30-21(2)22-12-6-3-7-13-22)31-29-27(20)28(23-14-8-4-9-15-23)32-33(29)24-16-10-5-11-17-24/h3-18,21H,19H2,1-2H3,(H,30,34).

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

2-(4-methyl-1,3-diphenylpyrazolo[5,4-b]pyridin-6-yl)oxy-N-(1-phenylethyl)acetamide has a molecular weight of 462.55 g/mol, XLogP of 5.65, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-methyl-1,3-diphenylpyrazolo[5,4-b]pyridin-6-yl)oxy-N-(1-phenylethyl)acetamide is sourced from PubChem (CID 50799206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).