3-[1-(3,4-dimethylphenyl)-3,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl]-N-(4-ethoxyphenyl)propanamide

C28H32N4O2 — CID 23603941

About 3-[1-(3,4-dimethylphenyl)-3,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl]-N-(4-ethoxyphenyl)propanamide

3-[1-(3,4-dimethylphenyl)-3,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl]-N-(4-ethoxyphenyl)propanamide (PubChem CID 23603941) has the molecular formula C28H32N4O2 and a molecular weight of 456.59 g/mol. Its IUPAC name is 3-[1-(3,4-dimethylphenyl)-3,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl]-N-(4-ethoxyphenyl)propanamide.

Molecular Properties

• Compound Name: 3-[1-(3,4-dimethylphenyl)-3,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl]-N-(4-ethoxyphenyl)propanamide
• PubChem CID: 23603941
• Molecular Formula: C28H32N4O2
• Molecular Weight: 456.59 g/mol
• Exact Mass: 456.25
• IUPAC Name: 3-[1-(3,4-dimethylphenyl)-3,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl]-N-(4-ethoxyphenyl)propanamide
• SMILES: CCOc1ccc(NC(=O)CCc2c(C)nc3c(c(C)nn3-c3ccc(C)c(C)c3)c2C)cc1
• InChI: InChI=1S/C28H32N4O2/c1-7-34-24-12-9-22(10-13-24)30-26(33)15-14-25-19(4)27-21(6)31-32(28(27)29-20(25)5)23-11-8-17(2)18(3)16-23/h8-13,16H,7,14-15H2,1-6H3,(H,30,33)
• InChIKey: IEDVOSVCCYKCAY-UHFFFAOYSA-N
• XLogP: 5.93
• TPSA: 69.04 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	456.59
LogP ≤ 5	5.93
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-[1-(3,4-dimethylphenyl)-3,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl]-N-(4-ethoxyphenyl)propanamide?

The IUPAC name of 3-[1-(3,4-dimethylphenyl)-3,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl]-N-(4-ethoxyphenyl)propanamide (CID 23603941) is 3-[1-(3,4-dimethylphenyl)-3,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl]-N-(4-ethoxyphenyl)propanamide.

What is the SMILES notation for 3-[1-(3,4-dimethylphenyl)-3,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl]-N-(4-ethoxyphenyl)propanamide?

The canonical SMILES for 3-[1-(3,4-dimethylphenyl)-3,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl]-N-(4-ethoxyphenyl)propanamide is CCOc1ccc(NC(=O)CCc2c(C)nc3c(c(C)nn3-c3ccc(C)c(C)c3)c2C)cc1.

What is the InChIKey of 3-[1-(3,4-dimethylphenyl)-3,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl]-N-(4-ethoxyphenyl)propanamide?

The InChIKey is IEDVOSVCCYKCAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N4O2/c1-7-34-24-12-9-22(10-13-24)30-26(33)15-14-25-19(4)27-21(6)31-32(28(27)29-20(25)5)23-11-8-17(2)18(3)16-23/h8-13,16H,7,14-15H2,1-6H3,(H,30,33).

What are the key properties of 3-[1-(3,4-dimethylphenyl)-3,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl]-N-(4-ethoxyphenyl)propanamide?

3-[1-(3,4-dimethylphenyl)-3,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl]-N-(4-ethoxyphenyl)propanamide has a molecular weight of 456.59 g/mol, XLogP of 5.93, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[1-(3,4-dimethylphenyl)-3,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl]-N-(4-ethoxyphenyl)propanamide is sourced from PubChem (CID 23603941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).