1-ethyl-3-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethyl]-2-[3-(2-methylpiperidin-1-yl)propyl]guanidine;hydroiodide

C22H37IN6 — CID 111839214

About 1-ethyl-3-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethyl]-2-[3-(2-methylpiperidin-1-yl)propyl]guanidine;hydroiodide

1-ethyl-3-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethyl]-2-[3-(2-methylpiperidin-1-yl)propyl]guanidine;hydroiodide (PubChem CID 111839214) has the molecular formula C22H37IN6 and a molecular weight of 512.48 g/mol. Its IUPAC name is 1-ethyl-3-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethyl]-2-[3-(2-methylpiperidin-1-yl)propyl]guanidine;hydroiodide.

Molecular Properties

• Compound Name: 1-ethyl-3-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethyl]-2-[3-(2-methylpiperidin-1-yl)propyl]guanidine;hydroiodide
• PubChem CID: 111839214
• Molecular Formula: C22H37IN6
• Molecular Weight: 512.48 g/mol
• Exact Mass: 512.21
• IUPAC Name: 1-ethyl-3-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethyl]-2-[3-(2-methylpiperidin-1-yl)propyl]guanidine;hydroiodide
• SMILES: CCN/C(=N\CCCN1CCCCC1C)NCCc1cn2cccc(C)c2n1.I
• InChI: InChI=1S/C22H36N6.HI/c1-4-23-22(24-12-8-16-27-14-6-5-10-19(27)3)25-13-11-20-17-28-15-7-9-18(2)21(28)26-20;/h7,9,15,17,19H,4-6,8,10-14,16H2,1-3H3,(H2,23,24,25);1H
• InChIKey: AMDWLLGPGKYKAI-UHFFFAOYSA-N
• XLogP: 3.62
• TPSA: 56.96 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	512.48
LogP ≤ 5	3.62
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethyl]-2-[3-(2-methylpiperidin-1-yl)propyl]guanidine;hydroiodide?

The IUPAC name of 1-ethyl-3-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethyl]-2-[3-(2-methylpiperidin-1-yl)propyl]guanidine;hydroiodide (CID 111839214) is 1-ethyl-3-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethyl]-2-[3-(2-methylpiperidin-1-yl)propyl]guanidine;hydroiodide.

What is the SMILES notation for 1-ethyl-3-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethyl]-2-[3-(2-methylpiperidin-1-yl)propyl]guanidine;hydroiodide?

The canonical SMILES for 1-ethyl-3-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethyl]-2-[3-(2-methylpiperidin-1-yl)propyl]guanidine;hydroiodide is CCN/C(=N\CCCN1CCCCC1C)NCCc1cn2cccc(C)c2n1.I.

What is the InChIKey of 1-ethyl-3-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethyl]-2-[3-(2-methylpiperidin-1-yl)propyl]guanidine;hydroiodide?

The InChIKey is AMDWLLGPGKYKAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H36N6.HI/c1-4-23-22(24-12-8-16-27-14-6-5-10-19(27)3)25-13-11-20-17-28-15-7-9-18(2)21(28)26-20;/h7,9,15,17,19H,4-6,8,10-14,16H2,1-3H3,(H2,23,24,25);1H.

What are the key properties of 1-ethyl-3-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethyl]-2-[3-(2-methylpiperidin-1-yl)propyl]guanidine;hydroiodide?

1-ethyl-3-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethyl]-2-[3-(2-methylpiperidin-1-yl)propyl]guanidine;hydroiodide has a molecular weight of 512.48 g/mol, XLogP of 3.62, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-ethyl-3-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethyl]-2-[3-(2-methylpiperidin-1-yl)propyl]guanidine;hydroiodide is sourced from PubChem (CID 111839214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).