5-(7-azabicyclo[2.2.1]heptane-2-carbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid

C14H18N4O3 — CID 79343340

About 5-(7-azabicyclo[2.2.1]heptane-2-carbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid

5-(7-azabicyclo[2.2.1]heptane-2-carbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid (PubChem CID 79343340) has the molecular formula C14H18N4O3 and a molecular weight of 290.32 g/mol. Its IUPAC name is 5-(7-azabicyclo[2.2.1]heptane-2-carbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid.

Molecular Properties

• Compound Name: 5-(7-azabicyclo[2.2.1]heptane-2-carbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid
• PubChem CID: 79343340
• Molecular Formula: C14H18N4O3
• Molecular Weight: 290.32 g/mol
• Exact Mass: 290.14
• IUPAC Name: 5-(7-azabicyclo[2.2.1]heptane-2-carbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid
• SMILES: O=C(O)C1Cc2nc[nH]c2CN1C(=O)C1CC2CCC1N2
• InChI: InChI=1S/C14H18N4O3/c19-13(8-3-7-1-2-9(8)17-7)18-5-11-10(15-6-16-11)4-12(18)14(20)21/h6-9,12,17H,1-5H2,(H,15,16)(H,20,21)
• InChIKey: JRSMSRBBKXGFSP-UHFFFAOYSA-N
• XLogP: -0.11
• TPSA: 98.32 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 2
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	290.32
LogP ≤ 5	-0.11
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 5-(7-azabicyclo[2.2.1]heptane-2-carbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid?

The IUPAC name of 5-(7-azabicyclo[2.2.1]heptane-2-carbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid (CID 79343340) is 5-(7-azabicyclo[2.2.1]heptane-2-carbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid.

What is the SMILES notation for 5-(7-azabicyclo[2.2.1]heptane-2-carbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid?

The canonical SMILES for 5-(7-azabicyclo[2.2.1]heptane-2-carbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid is O=C(O)C1Cc2nc[nH]c2CN1C(=O)C1CC2CCC1N2.

What is the InChIKey of 5-(7-azabicyclo[2.2.1]heptane-2-carbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid?

The InChIKey is JRSMSRBBKXGFSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O3/c19-13(8-3-7-1-2-9(8)17-7)18-5-11-10(15-6-16-11)4-12(18)14(20)21/h6-9,12,17H,1-5H2,(H,15,16)(H,20,21).

What are the key properties of 5-(7-azabicyclo[2.2.1]heptane-2-carbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid?

5-(7-azabicyclo[2.2.1]heptane-2-carbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid has a molecular weight of 290.32 g/mol, XLogP of -0.11, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(7-azabicyclo[2.2.1]heptane-2-carbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid is sourced from PubChem (CID 79343340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).