1-ethyl-2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-3-[(1-morpholin-4-ylcyclohexyl)methyl]guanidine;hydroiodide

C23H37IN6O — CID 111779856

About 1-ethyl-2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-3-[(1-morpholin-4-ylcyclohexyl)methyl]guanidine;hydroiodide

1-ethyl-2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-3-[(1-morpholin-4-ylcyclohexyl)methyl]guanidine;hydroiodide (PubChem CID 111779856) has the molecular formula C23H37IN6O and a molecular weight of 540.49 g/mol. Its IUPAC name is 1-ethyl-2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-3-[(1-morpholin-4-ylcyclohexyl)methyl]guanidine;hydroiodide.

Molecular Properties

• Compound Name: 1-ethyl-2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-3-[(1-morpholin-4-ylcyclohexyl)methyl]guanidine;hydroiodide
• PubChem CID: 111779856
• Molecular Formula: C23H37IN6O
• Molecular Weight: 540.49 g/mol
• Exact Mass: 540.21
• IUPAC Name: 1-ethyl-2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-3-[(1-morpholin-4-ylcyclohexyl)methyl]guanidine;hydroiodide
• SMILES: CCN/C(=N\Cc1cn2c(C)cccc2n1)NCC1(N2CCOCC2)CCCCC1.I
• InChI: InChI=1S/C23H36N6O.HI/c1-3-24-22(25-16-20-17-29-19(2)8-7-9-21(29)27-20)26-18-23(10-5-4-6-11-23)28-12-14-30-15-13-28;/h7-9,17H,3-6,10-16,18H2,1-2H3,(H2,24,25,26);1H
• InChIKey: BAJVWJPKGFTMRW-UHFFFAOYSA-N
• XLogP: 3.35
• TPSA: 66.19 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	540.49
LogP ≤ 5	3.35
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-2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-3-[(1-morpholin-4-ylcyclohexyl)methyl]guanidine;hydroiodide?

The IUPAC name of 1-ethyl-2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-3-[(1-morpholin-4-ylcyclohexyl)methyl]guanidine;hydroiodide (CID 111779856) is 1-ethyl-2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-3-[(1-morpholin-4-ylcyclohexyl)methyl]guanidine;hydroiodide.

What is the SMILES notation for 1-ethyl-2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-3-[(1-morpholin-4-ylcyclohexyl)methyl]guanidine;hydroiodide?

The canonical SMILES for 1-ethyl-2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-3-[(1-morpholin-4-ylcyclohexyl)methyl]guanidine;hydroiodide is CCN/C(=N\Cc1cn2c(C)cccc2n1)NCC1(N2CCOCC2)CCCCC1.I.

What is the InChIKey of 1-ethyl-2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-3-[(1-morpholin-4-ylcyclohexyl)methyl]guanidine;hydroiodide?

The InChIKey is BAJVWJPKGFTMRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H36N6O.HI/c1-3-24-22(25-16-20-17-29-19(2)8-7-9-21(29)27-20)26-18-23(10-5-4-6-11-23)28-12-14-30-15-13-28;/h7-9,17H,3-6,10-16,18H2,1-2H3,(H2,24,25,26);1H.

What are the key properties of 1-ethyl-2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-3-[(1-morpholin-4-ylcyclohexyl)methyl]guanidine;hydroiodide?

1-ethyl-2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-3-[(1-morpholin-4-ylcyclohexyl)methyl]guanidine;hydroiodide has a molecular weight of 540.49 g/mol, XLogP of 3.35, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-ethyl-2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-3-[(1-morpholin-4-ylcyclohexyl)methyl]guanidine;hydroiodide is sourced from PubChem (CID 111779856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).