5-methoxycarbonyl-3-(2-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid

C17H18N2O4 — CID 117247945

About 5-methoxycarbonyl-3-(2-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid

5-methoxycarbonyl-3-(2-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid (PubChem CID 117247945) has the molecular formula C17H18N2O4 and a molecular weight of 314.34 g/mol. Its IUPAC name is 5-methoxycarbonyl-3-(2-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid.

Molecular Properties

• Compound Name: 5-methoxycarbonyl-3-(2-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid
• PubChem CID: 117247945
• Molecular Formula: C17H18N2O4
• Molecular Weight: 314.34 g/mol
• Exact Mass: 314.13
• IUPAC Name: 5-methoxycarbonyl-3-(2-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid
• SMILES: COC(=O)C1CCCc2c(C(=O)O)nc(-c3ccccc3C)n21
• InChI: InChI=1S/C17H18N2O4/c1-10-6-3-4-7-11(10)15-18-14(16(20)21)12-8-5-9-13(19(12)15)17(22)23-2/h3-4,6-7,13H,5,8-9H2,1-2H3,(H,20,21)
• InChIKey: RHSIUDAXACZICF-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 5-methoxycarbonyl-3-(2-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid?

The IUPAC name of 5-methoxycarbonyl-3-(2-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid (CID 117247945) is 5-methoxycarbonyl-3-(2-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid.

What is the SMILES notation for 5-methoxycarbonyl-3-(2-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid?

The canonical SMILES for 5-methoxycarbonyl-3-(2-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid is COC(=O)C1CCCc2c(C(=O)O)nc(-c3ccccc3C)n21.

What is the InChIKey of 5-methoxycarbonyl-3-(2-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid?

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

What are the key properties of 5-methoxycarbonyl-3-(2-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid?

5-methoxycarbonyl-3-(2-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 5-methoxycarbonyl-3-(2-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid is sourced from PubChem (CID 117247945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).