1-[(2,4-dimethoxyphenyl)methyl]-N-(furan-2-ylmethyl)-N-(2-methoxyethyl)pyrazolo[3,4-b]pyridine-5-carboxamide

C24H26N4O5 — CID 55632859

About 1-[(2,4-dimethoxyphenyl)methyl]-N-(furan-2-ylmethyl)-N-(2-methoxyethyl)pyrazolo[3,4-b]pyridine-5-carboxamide

1-[(2,4-dimethoxyphenyl)methyl]-N-(furan-2-ylmethyl)-N-(2-methoxyethyl)pyrazolo[3,4-b]pyridine-5-carboxamide (PubChem CID 55632859) has the molecular formula C24H26N4O5 and a molecular weight of 450.50 g/mol. Its IUPAC name is 1-[(2,4-dimethoxyphenyl)methyl]-N-(furan-2-ylmethyl)-N-(2-methoxyethyl)pyrazolo[3,4-b]pyridine-5-carboxamide.

Molecular Properties

• Compound Name: 1-[(2,4-dimethoxyphenyl)methyl]-N-(furan-2-ylmethyl)-N-(2-methoxyethyl)pyrazolo[3,4-b]pyridine-5-carboxamide
• PubChem CID: 55632859
• Molecular Formula: C24H26N4O5
• Molecular Weight: 450.50 g/mol
• Exact Mass: 450.19
• IUPAC Name: 1-[(2,4-dimethoxyphenyl)methyl]-N-(furan-2-ylmethyl)-N-(2-methoxyethyl)pyrazolo[3,4-b]pyridine-5-carboxamide
• SMILES: COCCN(Cc1ccco1)C(=O)c1cnc2c(cnn2Cc2ccc(OC)cc2OC)c1
• InChI: InChI=1S/C24H26N4O5/c1-30-10-8-27(16-21-5-4-9-33-21)24(29)19-11-18-14-26-28(23(18)25-13-19)15-17-6-7-20(31-2)12-22(17)32-3/h4-7,9,11-14H,8,10,15-16H2,1-3H3
• InChIKey: WBEWCADATARQCZ-UHFFFAOYSA-N
• XLogP: 3.38
• TPSA: 91.85 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	450.50
LogP ≤ 5	3.38
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-dimethoxyphenyl)methyl]-N-(furan-2-ylmethyl)-N-(2-methoxyethyl)pyrazolo[3,4-b]pyridine-5-carboxamide?

The IUPAC name of 1-[(2,4-dimethoxyphenyl)methyl]-N-(furan-2-ylmethyl)-N-(2-methoxyethyl)pyrazolo[3,4-b]pyridine-5-carboxamide (CID 55632859) is 1-[(2,4-dimethoxyphenyl)methyl]-N-(furan-2-ylmethyl)-N-(2-methoxyethyl)pyrazolo[3,4-b]pyridine-5-carboxamide.

What is the SMILES notation for 1-[(2,4-dimethoxyphenyl)methyl]-N-(furan-2-ylmethyl)-N-(2-methoxyethyl)pyrazolo[3,4-b]pyridine-5-carboxamide?

The canonical SMILES for 1-[(2,4-dimethoxyphenyl)methyl]-N-(furan-2-ylmethyl)-N-(2-methoxyethyl)pyrazolo[3,4-b]pyridine-5-carboxamide is COCCN(Cc1ccco1)C(=O)c1cnc2c(cnn2Cc2ccc(OC)cc2OC)c1.

What is the InChIKey of 1-[(2,4-dimethoxyphenyl)methyl]-N-(furan-2-ylmethyl)-N-(2-methoxyethyl)pyrazolo[3,4-b]pyridine-5-carboxamide?

The InChIKey is WBEWCADATARQCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O5/c1-30-10-8-27(16-21-5-4-9-33-21)24(29)19-11-18-14-26-28(23(18)25-13-19)15-17-6-7-20(31-2)12-22(17)32-3/h4-7,9,11-14H,8,10,15-16H2,1-3H3.

What are the key properties of 1-[(2,4-dimethoxyphenyl)methyl]-N-(furan-2-ylmethyl)-N-(2-methoxyethyl)pyrazolo[3,4-b]pyridine-5-carboxamide?

1-[(2,4-dimethoxyphenyl)methyl]-N-(furan-2-ylmethyl)-N-(2-methoxyethyl)pyrazolo[3,4-b]pyridine-5-carboxamide has a molecular weight of 450.50 g/mol, XLogP of 3.38, 10 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(2,4-dimethoxyphenyl)methyl]-N-(furan-2-ylmethyl)-N-(2-methoxyethyl)pyrazolo[3,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 55632859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).