7-amino-2-(1-benzofuran-2-yl)-6-(3-hydroxy-2,6-dimethylphenyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide

C23H19N5O3 — CID 177042893

About 7-amino-2-(1-benzofuran-2-yl)-6-(3-hydroxy-2,6-dimethylphenyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide

7-amino-2-(1-benzofuran-2-yl)-6-(3-hydroxy-2,6-dimethylphenyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide (PubChem CID 177042893) has the molecular formula C23H19N5O3 and a molecular weight of 413.44 g/mol. Its IUPAC name is 7-amino-2-(1-benzofuran-2-yl)-6-(3-hydroxy-2,6-dimethylphenyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide.

Molecular Properties

• Compound Name: 7-amino-2-(1-benzofuran-2-yl)-6-(3-hydroxy-2,6-dimethylphenyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide
• PubChem CID: 177042893
• Molecular Formula: C23H19N5O3
• Molecular Weight: 413.44 g/mol
• Exact Mass: 413.15
• IUPAC Name: 7-amino-2-(1-benzofuran-2-yl)-6-(3-hydroxy-2,6-dimethylphenyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide
• SMILES: Cc1ccc(O)c(C)c1-c1cn2nc(-c3cc4ccccc4o3)nc2c(C(N)=O)c1N
• InChI: InChI=1S/C23H19N5O3/c1-11-7-8-15(29)12(2)18(11)14-10-28-23(19(20(14)24)21(25)30)26-22(27-28)17-9-13-5-3-4-6-16(13)31-17/h3-10,29H,24H2,1-2H3,(H2,25,30)
• InChIKey: IBMBNCJQBBAVSM-UHFFFAOYSA-N
• XLogP: 3.81
• TPSA: 132.67 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	413.44
LogP ≤ 5	3.81
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 7-amino-2-(1-benzofuran-2-yl)-6-(3-hydroxy-2,6-dimethylphenyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide?

The IUPAC name of 7-amino-2-(1-benzofuran-2-yl)-6-(3-hydroxy-2,6-dimethylphenyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide (CID 177042893) is 7-amino-2-(1-benzofuran-2-yl)-6-(3-hydroxy-2,6-dimethylphenyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide.

What is the SMILES notation for 7-amino-2-(1-benzofuran-2-yl)-6-(3-hydroxy-2,6-dimethylphenyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide?

The canonical SMILES for 7-amino-2-(1-benzofuran-2-yl)-6-(3-hydroxy-2,6-dimethylphenyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide is Cc1ccc(O)c(C)c1-c1cn2nc(-c3cc4ccccc4o3)nc2c(C(N)=O)c1N.

What is the InChIKey of 7-amino-2-(1-benzofuran-2-yl)-6-(3-hydroxy-2,6-dimethylphenyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide?

The InChIKey is IBMBNCJQBBAVSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N5O3/c1-11-7-8-15(29)12(2)18(11)14-10-28-23(19(20(14)24)21(25)30)26-22(27-28)17-9-13-5-3-4-6-16(13)31-17/h3-10,29H,24H2,1-2H3,(H2,25,30).

What are the key properties of 7-amino-2-(1-benzofuran-2-yl)-6-(3-hydroxy-2,6-dimethylphenyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide?

7-amino-2-(1-benzofuran-2-yl)-6-(3-hydroxy-2,6-dimethylphenyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide has a molecular weight of 413.44 g/mol, XLogP of 3.81, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 7-amino-2-(1-benzofuran-2-yl)-6-(3-hydroxy-2,6-dimethylphenyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide is sourced from PubChem (CID 177042893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).