2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-8-carboxylic acid

C16H25N3O2 — CID 117157145

About 2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-8-carboxylic acid

2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-8-carboxylic acid (PubChem CID 117157145) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is 2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-8-carboxylic acid.

Molecular Properties

• Compound Name: 2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-8-carboxylic acid
• PubChem CID: 117157145
• Molecular Formula: C16H25N3O2
• Molecular Weight: 291.39 g/mol
• Exact Mass: 291.19
• IUPAC Name: 2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-8-carboxylic acid
• SMILES: CC(C)N1CCC(Cc2cn3c(n2)C(C(=O)O)CCC3)C1
• InChI: InChI=1S/C16H25N3O2/c1-11(2)18-7-5-12(9-18)8-13-10-19-6-3-4-14(16(20)21)15(19)17-13/h10-12,14H,3-9H2,1-2H3,(H,20,21)
• InChIKey: XASCASXHXRHBHO-UHFFFAOYSA-N
• XLogP: 2.12
• TPSA: 58.36 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	291.39
LogP ≤ 5	2.12
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-8-carboxylic acid?

The IUPAC name of 2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-8-carboxylic acid (CID 117157145) is 2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-8-carboxylic acid.

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

The canonical SMILES for 2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-8-carboxylic acid is CC(C)N1CCC(Cc2cn3c(n2)C(C(=O)O)CCC3)C1.

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

The InChIKey is XASCASXHXRHBHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-11(2)18-7-5-12(9-18)8-13-10-19-6-3-4-14(16(20)21)15(19)17-13/h10-12,14H,3-9H2,1-2H3,(H,20,21).

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

2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-8-carboxylic acid has a molecular weight of 291.39 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-8-carboxylic acid is sourced from PubChem (CID 117157145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).