3-pyridin-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,5-dicarboxylic acid

C14H13N3O4 — CID 117247715

About 3-pyridin-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,5-dicarboxylic acid

3-pyridin-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,5-dicarboxylic acid (PubChem CID 117247715) has the molecular formula C14H13N3O4 and a molecular weight of 287.27 g/mol. Its IUPAC name is 3-pyridin-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,5-dicarboxylic acid.

Molecular Properties

• Compound Name: 3-pyridin-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,5-dicarboxylic acid
• PubChem CID: 117247715
• Molecular Formula: C14H13N3O4
• Molecular Weight: 287.27 g/mol
• Exact Mass: 287.09
• IUPAC Name: 3-pyridin-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,5-dicarboxylic acid
• SMILES: O=C(O)c1nc(-c2ccccn2)n2c1CCCC2C(=O)O
• InChI: InChI=1S/C14H13N3O4/c18-13(19)10-6-3-5-9-11(14(20)21)16-12(17(9)10)8-4-1-2-7-15-8/h1-2,4,7,10H,3,5-6H2,(H,18,19)(H,20,21)
• InChIKey: NTTLDADGNMSJBZ-UHFFFAOYSA-N
• XLogP: 1.61
• TPSA: 105.31 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	287.27
LogP ≤ 5	1.61
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-pyridin-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,5-dicarboxylic acid?

The IUPAC name of 3-pyridin-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,5-dicarboxylic acid (CID 117247715) is 3-pyridin-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,5-dicarboxylic acid.

What is the SMILES notation for 3-pyridin-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,5-dicarboxylic acid?

The canonical SMILES for 3-pyridin-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,5-dicarboxylic acid is O=C(O)c1nc(-c2ccccn2)n2c1CCCC2C(=O)O.

What is the InChIKey of 3-pyridin-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,5-dicarboxylic acid?

The InChIKey is NTTLDADGNMSJBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O4/c18-13(19)10-6-3-5-9-11(14(20)21)16-12(17(9)10)8-4-1-2-7-15-8/h1-2,4,7,10H,3,5-6H2,(H,18,19)(H,20,21).

What are the key properties of 3-pyridin-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,5-dicarboxylic acid?

3-pyridin-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,5-dicarboxylic acid has a molecular weight of 287.27 g/mol, XLogP of 1.61, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-pyridin-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,5-dicarboxylic acid is sourced from PubChem (CID 117247715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).