1-ethyl-3-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]guanidine;hydroiodide

C22H31IN6O — CID 111779982

About 1-ethyl-3-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]guanidine;hydroiodide

1-ethyl-3-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]guanidine;hydroiodide (PubChem CID 111779982) has the molecular formula C22H31IN6O and a molecular weight of 522.44 g/mol. Its IUPAC name is 1-ethyl-3-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]guanidine;hydroiodide.

Molecular Properties

• Compound Name: 1-ethyl-3-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]guanidine;hydroiodide
• PubChem CID: 111779982
• Molecular Formula: C22H31IN6O
• Molecular Weight: 522.44 g/mol
• Exact Mass: 522.16
• IUPAC Name: 1-ethyl-3-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]guanidine;hydroiodide
• SMILES: CCN/C(=N\Cc1cn2c(C)cccc2n1)NCC(c1ccco1)N1CCCC1.I
• InChI: InChI=1S/C22H30N6O.HI/c1-3-23-22(24-14-18-16-28-17(2)8-6-10-21(28)26-18)25-15-19(20-9-7-13-29-20)27-11-4-5-12-27;/h6-10,13,16,19H,3-5,11-12,14-15H2,1-2H3,(H2,23,24,25);1H
• InChIKey: FJAVKNIBJDRERL-UHFFFAOYSA-N
• XLogP: 3.75
• TPSA: 70.10 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	522.44
LogP ≤ 5	3.75
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

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-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]guanidine;hydroiodide?

The IUPAC name of 1-ethyl-3-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]guanidine;hydroiodide (CID 111779982) is 1-ethyl-3-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]guanidine;hydroiodide.

What is the SMILES notation for 1-ethyl-3-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]guanidine;hydroiodide?

The canonical SMILES for 1-ethyl-3-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]guanidine;hydroiodide is CCN/C(=N\Cc1cn2c(C)cccc2n1)NCC(c1ccco1)N1CCCC1.I.

What is the InChIKey of 1-ethyl-3-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]guanidine;hydroiodide?

The InChIKey is FJAVKNIBJDRERL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N6O.HI/c1-3-23-22(24-14-18-16-28-17(2)8-6-10-21(28)26-18)25-15-19(20-9-7-13-29-20)27-11-4-5-12-27;/h6-10,13,16,19H,3-5,11-12,14-15H2,1-2H3,(H2,23,24,25);1H.

What are the key properties of 1-ethyl-3-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]guanidine;hydroiodide?

1-ethyl-3-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]guanidine;hydroiodide has a molecular weight of 522.44 g/mol, XLogP of 3.75, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-ethyl-3-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]guanidine;hydroiodide is sourced from PubChem (CID 111779982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).