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

C26H27FN4O2 — CID 50796168

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

3-[6-ethoxy-3,4-dimethyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridin-5-yl]-N-(4-fluorophenyl)propanamide (PubChem CID 50796168) has the molecular formula C26H27FN4O2 and a molecular weight of 446.53 g/mol. Its IUPAC name is 3-[6-ethoxy-3,4-dimethyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridin-5-yl]-N-(4-fluorophenyl)propanamide.

Molecular Properties

• Compound Name: 3-[6-ethoxy-3,4-dimethyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridin-5-yl]-N-(4-fluorophenyl)propanamide
• PubChem CID: 50796168
• Molecular Formula: C26H27FN4O2
• Molecular Weight: 446.53 g/mol
• Exact Mass: 446.21
• IUPAC Name: 3-[6-ethoxy-3,4-dimethyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridin-5-yl]-N-(4-fluorophenyl)propanamide
• SMILES: CCOc1nc2c(c(C)nn2-c2ccc(C)cc2)c(C)c1CCC(=O)Nc1ccc(F)cc1
• InChI: InChI=1S/C26H27FN4O2/c1-5-33-26-22(14-15-23(32)28-20-10-8-19(27)9-11-20)17(3)24-18(4)30-31(25(24)29-26)21-12-6-16(2)7-13-21/h6-13H,5,14-15H2,1-4H3,(H,28,32)
• InChIKey: OOGZGIZHFVLMOX-UHFFFAOYSA-N
• XLogP: 5.45
• TPSA: 69.04 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	446.53
LogP ≤ 5	5.45
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-(4-fluorophenyl)propanamide?

The IUPAC name of 3-[6-ethoxy-3,4-dimethyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridin-5-yl]-N-(4-fluorophenyl)propanamide (CID 50796168) is 3-[6-ethoxy-3,4-dimethyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridin-5-yl]-N-(4-fluorophenyl)propanamide.

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

The canonical SMILES for 3-[6-ethoxy-3,4-dimethyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridin-5-yl]-N-(4-fluorophenyl)propanamide is CCOc1nc2c(c(C)nn2-c2ccc(C)cc2)c(C)c1CCC(=O)Nc1ccc(F)cc1.

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

The InChIKey is OOGZGIZHFVLMOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27FN4O2/c1-5-33-26-22(14-15-23(32)28-20-10-8-19(27)9-11-20)17(3)24-18(4)30-31(25(24)29-26)21-12-6-16(2)7-13-21/h6-13H,5,14-15H2,1-4H3,(H,28,32).

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

3-[6-ethoxy-3,4-dimethyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridin-5-yl]-N-(4-fluorophenyl)propanamide has a molecular weight of 446.53 g/mol, XLogP of 5.45, 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-(4-fluorophenyl)propanamide is sourced from PubChem (CID 50796168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).