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

C27H30N4O3 — CID 50796213

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

3-[6-ethoxy-3,4-dimethyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridin-5-yl]-N-(3-methoxyphenyl)propanamide (PubChem CID 50796213) has the molecular formula C27H30N4O3 and a molecular weight of 458.56 g/mol. Its IUPAC name is 3-[6-ethoxy-3,4-dimethyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridin-5-yl]-N-(3-methoxyphenyl)propanamide.

Molecular Properties

• Compound Name: 3-[6-ethoxy-3,4-dimethyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridin-5-yl]-N-(3-methoxyphenyl)propanamide
• PubChem CID: 50796213
• Molecular Formula: C27H30N4O3
• Molecular Weight: 458.56 g/mol
• Exact Mass: 458.23
• IUPAC Name: 3-[6-ethoxy-3,4-dimethyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridin-5-yl]-N-(3-methoxyphenyl)propanamide
• SMILES: CCOc1nc2c(c(C)nn2-c2ccc(C)cc2)c(C)c1CCC(=O)Nc1cccc(OC)c1
• InChI: InChI=1S/C27H30N4O3/c1-6-34-27-23(14-15-24(32)28-20-8-7-9-22(16-20)33-5)18(3)25-19(4)30-31(26(25)29-27)21-12-10-17(2)11-13-21/h7-13,16H,6,14-15H2,1-5H3,(H,28,32)
• InChIKey: ZPBZUOKCDQJFCA-UHFFFAOYSA-N
• XLogP: 5.32
• TPSA: 78.27 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	458.56
LogP ≤ 5	5.32
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

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-(3-methoxyphenyl)propanamide?

The IUPAC name of 3-[6-ethoxy-3,4-dimethyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridin-5-yl]-N-(3-methoxyphenyl)propanamide (CID 50796213) is 3-[6-ethoxy-3,4-dimethyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridin-5-yl]-N-(3-methoxyphenyl)propanamide.

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

The canonical SMILES for 3-[6-ethoxy-3,4-dimethyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridin-5-yl]-N-(3-methoxyphenyl)propanamide is CCOc1nc2c(c(C)nn2-c2ccc(C)cc2)c(C)c1CCC(=O)Nc1cccc(OC)c1.

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

The InChIKey is ZPBZUOKCDQJFCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N4O3/c1-6-34-27-23(14-15-24(32)28-20-8-7-9-22(16-20)33-5)18(3)25-19(4)30-31(26(25)29-27)21-12-10-17(2)11-13-21/h7-13,16H,6,14-15H2,1-5H3,(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-(3-methoxyphenyl)propanamide?

3-[6-ethoxy-3,4-dimethyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridin-5-yl]-N-(3-methoxyphenyl)propanamide has a molecular weight of 458.56 g/mol, XLogP of 5.32, 8 rotatable bonds, 1 hydrogen bond donors, and 6 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-(3-methoxyphenyl)propanamide is sourced from PubChem (CID 50796213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).