3-[6-ethoxy-3,4-dimethyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridin-5-yl]-N-phenylpropanamide

C26H28N4O2 — CID 50796208

About 3-[6-ethoxy-3,4-dimethyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridin-5-yl]-N-phenylpropanamide

3-[6-ethoxy-3,4-dimethyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridin-5-yl]-N-phenylpropanamide (PubChem CID 50796208) has the molecular formula C26H28N4O2 and a molecular weight of 428.54 g/mol. Its IUPAC name is 3-[6-ethoxy-3,4-dimethyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridin-5-yl]-N-phenylpropanamide.

Molecular Properties

• Compound Name: 3-[6-ethoxy-3,4-dimethyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridin-5-yl]-N-phenylpropanamide
• PubChem CID: 50796208
• Molecular Formula: C26H28N4O2
• Molecular Weight: 428.54 g/mol
• Exact Mass: 428.22
• IUPAC Name: 3-[6-ethoxy-3,4-dimethyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridin-5-yl]-N-phenylpropanamide
• SMILES: CCOc1nc2c(c(C)nn2-c2ccc(C)cc2)c(C)c1CCC(=O)Nc1ccccc1
• InChI: InChI=1S/C26H28N4O2/c1-5-32-26-22(15-16-23(31)27-20-9-7-6-8-10-20)18(3)24-19(4)29-30(25(24)28-26)21-13-11-17(2)12-14-21/h6-14H,5,15-16H2,1-4H3,(H,27,31)
• InChIKey: RJNHRJQBOXOFJC-UHFFFAOYSA-N
• XLogP: 5.32
• TPSA: 69.04 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	428.54
LogP ≤ 5	5.32
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-[6-ethoxy-3,4-dimethyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridin-5-yl]-N-phenylpropanamide?

The IUPAC name of 3-[6-ethoxy-3,4-dimethyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridin-5-yl]-N-phenylpropanamide (CID 50796208) is 3-[6-ethoxy-3,4-dimethyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridin-5-yl]-N-phenylpropanamide.

What is the SMILES notation for 3-[6-ethoxy-3,4-dimethyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridin-5-yl]-N-phenylpropanamide?

The canonical SMILES for 3-[6-ethoxy-3,4-dimethyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridin-5-yl]-N-phenylpropanamide is CCOc1nc2c(c(C)nn2-c2ccc(C)cc2)c(C)c1CCC(=O)Nc1ccccc1.

What is the InChIKey of 3-[6-ethoxy-3,4-dimethyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridin-5-yl]-N-phenylpropanamide?

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

What are the key properties of 3-[6-ethoxy-3,4-dimethyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridin-5-yl]-N-phenylpropanamide?

3-[6-ethoxy-3,4-dimethyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridin-5-yl]-N-phenylpropanamide has a molecular weight of 428.54 g/mol, XLogP of 5.32, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[6-ethoxy-3,4-dimethyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridin-5-yl]-N-phenylpropanamide is sourced from PubChem (CID 50796208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).