8-methoxycarbonyl-3-(3-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid

C17H18N2O4 — CID 117249959

About 8-methoxycarbonyl-3-(3-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid

8-methoxycarbonyl-3-(3-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid (PubChem CID 117249959) has the molecular formula C17H18N2O4 and a molecular weight of 314.34 g/mol. Its IUPAC name is 8-methoxycarbonyl-3-(3-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid.

Molecular Properties

• Compound Name: 8-methoxycarbonyl-3-(3-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid
• PubChem CID: 117249959
• Molecular Formula: C17H18N2O4
• Molecular Weight: 314.34 g/mol
• Exact Mass: 314.13
• IUPAC Name: 8-methoxycarbonyl-3-(3-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid
• SMILES: COC(=O)C1CCCn2c(-c3cccc(C)c3)nc(C(=O)O)c21
• InChI: InChI=1S/C17H18N2O4/c1-10-5-3-6-11(9-10)15-18-13(16(20)21)14-12(17(22)23-2)7-4-8-19(14)15/h3,5-6,9,12H,4,7-8H2,1-2H3,(H,20,21)
• InChIKey: BVEFYPINVYQKCZ-UHFFFAOYSA-N
• XLogP: 2.61
• TPSA: 81.42 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	314.34
LogP ≤ 5	2.61
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 8-methoxycarbonyl-3-(3-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid?

The IUPAC name of 8-methoxycarbonyl-3-(3-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid (CID 117249959) is 8-methoxycarbonyl-3-(3-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid.

What is the SMILES notation for 8-methoxycarbonyl-3-(3-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid?

The canonical SMILES for 8-methoxycarbonyl-3-(3-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid is COC(=O)C1CCCn2c(-c3cccc(C)c3)nc(C(=O)O)c21.

What is the InChIKey of 8-methoxycarbonyl-3-(3-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid?

The InChIKey is BVEFYPINVYQKCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O4/c1-10-5-3-6-11(9-10)15-18-13(16(20)21)14-12(17(22)23-2)7-4-8-19(14)15/h3,5-6,9,12H,4,7-8H2,1-2H3,(H,20,21).

What are the key properties of 8-methoxycarbonyl-3-(3-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid?

8-methoxycarbonyl-3-(3-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid has a molecular weight of 314.34 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 8-methoxycarbonyl-3-(3-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid is sourced from PubChem (CID 117249959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).