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

C23H29IN6 — CID 111833976

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

1-ethyl-3-[2-(1H-indol-3-yl)ethyl]-2-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethyl]guanidine;hydroiodide (PubChem CID 111833976) has the molecular formula C23H29IN6 and a molecular weight of 516.43 g/mol. Its IUPAC name is 1-ethyl-3-[2-(1H-indol-3-yl)ethyl]-2-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethyl]guanidine;hydroiodide.

Molecular Properties

• Compound Name: 1-ethyl-3-[2-(1H-indol-3-yl)ethyl]-2-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethyl]guanidine;hydroiodide
• PubChem CID: 111833976
• Molecular Formula: C23H29IN6
• Molecular Weight: 516.43 g/mol
• Exact Mass: 516.15
• IUPAC Name: 1-ethyl-3-[2-(1H-indol-3-yl)ethyl]-2-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethyl]guanidine;hydroiodide
• SMILES: CCN/C(=N\CCc1cn2cccc(C)c2n1)NCCc1c[nH]c2ccccc12.I
• InChI: InChI=1S/C23H28N6.HI/c1-3-24-23(25-12-10-18-15-27-21-9-5-4-8-20(18)21)26-13-11-19-16-29-14-6-7-17(2)22(29)28-19;/h4-9,14-16,27H,3,10-13H2,1-2H3,(H2,24,25,26);1H
• InChIKey: SSHAJXCNOUJLEI-UHFFFAOYSA-N
• XLogP: 4.08
• TPSA: 69.51 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	516.43
LogP ≤ 5	4.08
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'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-(1H-indol-3-yl)ethyl]-2-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethyl]guanidine;hydroiodide?

The IUPAC name of 1-ethyl-3-[2-(1H-indol-3-yl)ethyl]-2-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethyl]guanidine;hydroiodide (CID 111833976) is 1-ethyl-3-[2-(1H-indol-3-yl)ethyl]-2-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethyl]guanidine;hydroiodide.

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

The canonical SMILES for 1-ethyl-3-[2-(1H-indol-3-yl)ethyl]-2-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethyl]guanidine;hydroiodide is CCN/C(=N\CCc1cn2cccc(C)c2n1)NCCc1c[nH]c2ccccc12.I.

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

The InChIKey is SSHAJXCNOUJLEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N6.HI/c1-3-24-23(25-12-10-18-15-27-21-9-5-4-8-20(18)21)26-13-11-19-16-29-14-6-7-17(2)22(29)28-19;/h4-9,14-16,27H,3,10-13H2,1-2H3,(H2,24,25,26);1H.

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

1-ethyl-3-[2-(1H-indol-3-yl)ethyl]-2-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethyl]guanidine;hydroiodide has a molecular weight of 516.43 g/mol, XLogP of 4.08, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 1-ethyl-3-[2-(1H-indol-3-yl)ethyl]-2-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethyl]guanidine;hydroiodide is sourced from PubChem (CID 111833976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).