1-[(2,4-dimethoxyphenyl)methyl]-N-(4-propan-2-yloxyphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide

C25H26N4O4 — CID 55796905

About 1-[(2,4-dimethoxyphenyl)methyl]-N-(4-propan-2-yloxyphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide

1-[(2,4-dimethoxyphenyl)methyl]-N-(4-propan-2-yloxyphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide (PubChem CID 55796905) has the molecular formula C25H26N4O4 and a molecular weight of 446.51 g/mol. Its IUPAC name is 1-[(2,4-dimethoxyphenyl)methyl]-N-(4-propan-2-yloxyphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide.

Molecular Properties

• Compound Name: 1-[(2,4-dimethoxyphenyl)methyl]-N-(4-propan-2-yloxyphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide
• PubChem CID: 55796905
• Molecular Formula: C25H26N4O4
• Molecular Weight: 446.51 g/mol
• Exact Mass: 446.20
• IUPAC Name: 1-[(2,4-dimethoxyphenyl)methyl]-N-(4-propan-2-yloxyphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide
• SMILES: COc1ccc(Cn2ncc3cc(C(=O)Nc4ccc(OC(C)C)cc4)cnc32)c(OC)c1
• InChI: InChI=1S/C25H26N4O4/c1-16(2)33-21-9-6-20(7-10-21)28-25(30)19-11-18-14-27-29(24(18)26-13-19)15-17-5-8-22(31-3)12-23(17)32-4/h5-14,16H,15H2,1-4H3,(H,28,30)
• InChIKey: AKJWTUBFZGXAOZ-UHFFFAOYSA-N
• XLogP: 4.54
• TPSA: 87.50 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	446.51
LogP ≤ 5	4.54
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 1-[(2,4-dimethoxyphenyl)methyl]-N-(4-propan-2-yloxyphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide (CID 55796905) is 1-[(2,4-dimethoxyphenyl)methyl]-N-(4-propan-2-yloxyphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide.

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

The canonical SMILES for 1-[(2,4-dimethoxyphenyl)methyl]-N-(4-propan-2-yloxyphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide is COc1ccc(Cn2ncc3cc(C(=O)Nc4ccc(OC(C)C)cc4)cnc32)c(OC)c1.

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

The InChIKey is AKJWTUBFZGXAOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O4/c1-16(2)33-21-9-6-20(7-10-21)28-25(30)19-11-18-14-27-29(24(18)26-13-19)15-17-5-8-22(31-3)12-23(17)32-4/h5-14,16H,15H2,1-4H3,(H,28,30).

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

1-[(2,4-dimethoxyphenyl)methyl]-N-(4-propan-2-yloxyphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide has a molecular weight of 446.51 g/mol, XLogP of 4.54, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(2,4-dimethoxyphenyl)methyl]-N-(4-propan-2-yloxyphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 55796905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).