1-[3-[2-(3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl)ethynyl]phenyl]-7-methoxyimidazo[1,5-a]pyridine-3-carboxamide

C22H20N4O4 — CID 123417549

About 1-[3-[2-(3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl)ethynyl]phenyl]-7-methoxyimidazo[1,5-a]pyridine-3-carboxamide

1-[3-[2-(3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl)ethynyl]phenyl]-7-methoxyimidazo[1,5-a]pyridine-3-carboxamide (PubChem CID 123417549) has the molecular formula C22H20N4O4 and a molecular weight of 404.43 g/mol. Its IUPAC name is 1-[3-[2-(3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl)ethynyl]phenyl]-7-methoxyimidazo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 1-[3-[2-(3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl)ethynyl]phenyl]-7-methoxyimidazo[1,5-a]pyridine-3-carboxamide
• PubChem CID: 123417549
• Molecular Formula: C22H20N4O4
• Molecular Weight: 404.43 g/mol
• Exact Mass: 404.15
• IUPAC Name: 1-[3-[2-(3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl)ethynyl]phenyl]-7-methoxyimidazo[1,5-a]pyridine-3-carboxamide
• SMILES: COc1ccn2c(C(N)=O)nc(-c3cccc(C#CC4(O)CCN(C)C4=O)c3)c2c1
• InChI: InChI=1S/C22H20N4O4/c1-25-11-9-22(29,21(25)28)8-6-14-4-3-5-15(12-14)18-17-13-16(30-2)7-10-26(17)20(24-18)19(23)27/h3-5,7,10,12-13,29H,9,11H2,1-2H3,(H2,23,27)
• InChIKey: PGXYZFMFSWREGO-UHFFFAOYSA-N
• XLogP: 1.05
• TPSA: 110.16 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	404.43
LogP ≤ 5	1.05
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[3-[2-(3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl)ethynyl]phenyl]-7-methoxyimidazo[1,5-a]pyridine-3-carboxamide?

The IUPAC name of 1-[3-[2-(3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl)ethynyl]phenyl]-7-methoxyimidazo[1,5-a]pyridine-3-carboxamide (CID 123417549) is 1-[3-[2-(3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl)ethynyl]phenyl]-7-methoxyimidazo[1,5-a]pyridine-3-carboxamide.

What is the SMILES notation for 1-[3-[2-(3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl)ethynyl]phenyl]-7-methoxyimidazo[1,5-a]pyridine-3-carboxamide?

The canonical SMILES for 1-[3-[2-(3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl)ethynyl]phenyl]-7-methoxyimidazo[1,5-a]pyridine-3-carboxamide is COc1ccn2c(C(N)=O)nc(-c3cccc(C#CC4(O)CCN(C)C4=O)c3)c2c1.

What is the InChIKey of 1-[3-[2-(3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl)ethynyl]phenyl]-7-methoxyimidazo[1,5-a]pyridine-3-carboxamide?

The InChIKey is PGXYZFMFSWREGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O4/c1-25-11-9-22(29,21(25)28)8-6-14-4-3-5-15(12-14)18-17-13-16(30-2)7-10-26(17)20(24-18)19(23)27/h3-5,7,10,12-13,29H,9,11H2,1-2H3,(H2,23,27).

What are the key properties of 1-[3-[2-(3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl)ethynyl]phenyl]-7-methoxyimidazo[1,5-a]pyridine-3-carboxamide?

1-[3-[2-(3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl)ethynyl]phenyl]-7-methoxyimidazo[1,5-a]pyridine-3-carboxamide has a molecular weight of 404.43 g/mol, XLogP of 1.05, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-[2-(3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl)ethynyl]phenyl]-7-methoxyimidazo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 123417549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).