6-(furan-2-yl)-N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide

C26H26N6O3 — CID 46677457

About 6-(furan-2-yl)-N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide

6-(furan-2-yl)-N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 46677457) has the molecular formula C26H26N6O3 and a molecular weight of 470.53 g/mol. Its IUPAC name is 6-(furan-2-yl)-N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

• Compound Name: 6-(furan-2-yl)-N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
• PubChem CID: 46677457
• Molecular Formula: C26H26N6O3
• Molecular Weight: 470.53 g/mol
• Exact Mass: 470.21
• IUPAC Name: 6-(furan-2-yl)-N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
• SMILES: COc1ccc(C(NC(=O)c2cc(-c3ccco3)nc3c2cnn3C(C)C)c2nccn2C)cc1
• InChI: InChI=1S/C26H26N6O3/c1-16(2)32-24-20(15-28-32)19(14-21(29-24)22-6-5-13-35-22)26(33)30-23(25-27-11-12-31(25)3)17-7-9-18(34-4)10-8-17/h5-16,23H,1-4H3,(H,30,33)
• InChIKey: DUQKGNJTWWXRLF-UHFFFAOYSA-N
• XLogP: 4.53
• TPSA: 100.00 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	470.53
LogP ≤ 5	4.53
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 6-(furan-2-yl)-N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?

The IUPAC name of 6-(furan-2-yl)-N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (CID 46677457) is 6-(furan-2-yl)-N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.

What is the SMILES notation for 6-(furan-2-yl)-N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?

The canonical SMILES for 6-(furan-2-yl)-N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is COc1ccc(C(NC(=O)c2cc(-c3ccco3)nc3c2cnn3C(C)C)c2nccn2C)cc1.

What is the InChIKey of 6-(furan-2-yl)-N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?

The InChIKey is DUQKGNJTWWXRLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N6O3/c1-16(2)32-24-20(15-28-32)19(14-21(29-24)22-6-5-13-35-22)26(33)30-23(25-27-11-12-31(25)3)17-7-9-18(34-4)10-8-17/h5-16,23H,1-4H3,(H,30,33).

What are the key properties of 6-(furan-2-yl)-N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?

6-(furan-2-yl)-N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 470.53 g/mol, XLogP of 4.53, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(furan-2-yl)-N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 46677457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).