3-(2-aminopyrimidin-4-yl)-2-(6-methyl-2-pyridinyl)imidazo[1,2-a]pyridine-6-carboxylic acid

C18H14N6O2 — CID 66678798

About 3-(2-aminopyrimidin-4-yl)-2-(6-methyl-2-pyridinyl)imidazo[1,2-a]pyridine-6-carboxylic acid

3-(2-aminopyrimidin-4-yl)-2-(6-methyl-2-pyridinyl)imidazo[1,2-a]pyridine-6-carboxylic acid (PubChem CID 66678798) has the molecular formula C18H14N6O2 and a molecular weight of 346.35 g/mol. Its IUPAC name is 3-(2-aminopyrimidin-4-yl)-2-(6-methyl-2-pyridinyl)imidazo[1,2-a]pyridine-6-carboxylic acid.

Molecular Properties

• Compound Name: 3-(2-aminopyrimidin-4-yl)-2-(6-methyl-2-pyridinyl)imidazo[1,2-a]pyridine-6-carboxylic acid
• PubChem CID: 66678798
• Molecular Formula: C18H14N6O2
• Molecular Weight: 346.35 g/mol
• Exact Mass: 346.12
• IUPAC Name: 3-(2-aminopyrimidin-4-yl)-2-(6-methyl-2-pyridinyl)imidazo[1,2-a]pyridine-6-carboxylic acid
• SMILES: Cc1cccc(-c2nc3ccc(C(=O)O)cn3c2-c2ccnc(N)n2)n1
• InChI: InChI=1S/C18H14N6O2/c1-10-3-2-4-12(21-10)15-16(13-7-8-20-18(19)22-13)24-9-11(17(25)26)5-6-14(24)23-15/h2-9H,1H3,(H,25,26)(H2,19,20,22)
• InChIKey: KLLKKKAXFTYAGU-UHFFFAOYSA-N
• XLogP: 2.44
• TPSA: 119.29 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	346.35
LogP ≤ 5	2.44
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminopyrimidin-4-yl)-2-(6-methyl-2-pyridinyl)imidazo[1,2-a]pyridine-6-carboxylic acid?

The IUPAC name of 3-(2-aminopyrimidin-4-yl)-2-(6-methyl-2-pyridinyl)imidazo[1,2-a]pyridine-6-carboxylic acid (CID 66678798) is 3-(2-aminopyrimidin-4-yl)-2-(6-methyl-2-pyridinyl)imidazo[1,2-a]pyridine-6-carboxylic acid.

What is the SMILES notation for 3-(2-aminopyrimidin-4-yl)-2-(6-methyl-2-pyridinyl)imidazo[1,2-a]pyridine-6-carboxylic acid?

The canonical SMILES for 3-(2-aminopyrimidin-4-yl)-2-(6-methyl-2-pyridinyl)imidazo[1,2-a]pyridine-6-carboxylic acid is Cc1cccc(-c2nc3ccc(C(=O)O)cn3c2-c2ccnc(N)n2)n1.

What is the InChIKey of 3-(2-aminopyrimidin-4-yl)-2-(6-methyl-2-pyridinyl)imidazo[1,2-a]pyridine-6-carboxylic acid?

The InChIKey is KLLKKKAXFTYAGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N6O2/c1-10-3-2-4-12(21-10)15-16(13-7-8-20-18(19)22-13)24-9-11(17(25)26)5-6-14(24)23-15/h2-9H,1H3,(H,25,26)(H2,19,20,22).

What are the key properties of 3-(2-aminopyrimidin-4-yl)-2-(6-methyl-2-pyridinyl)imidazo[1,2-a]pyridine-6-carboxylic acid?

3-(2-aminopyrimidin-4-yl)-2-(6-methyl-2-pyridinyl)imidazo[1,2-a]pyridine-6-carboxylic acid has a molecular weight of 346.35 g/mol, XLogP of 2.44, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(2-aminopyrimidin-4-yl)-2-(6-methyl-2-pyridinyl)imidazo[1,2-a]pyridine-6-carboxylic acid is sourced from PubChem (CID 66678798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).