N-[2-[ethyl-[2-[(2-fluoro-3-pyridinyl)oxy]ethyl]amino]ethyl]-6-iodoimidazo[1,2-a]pyridine-2-carboxamide;dihydrochloride

C19H23Cl2FIN5O2 — CID 52952373

About N-[2-[ethyl-[2-[(2-fluoro-3-pyridinyl)oxy]ethyl]amino]ethyl]-6-iodoimidazo[1,2-a]pyridine-2-carboxamide;dihydrochloride

N-[2-[ethyl-[2-[(2-fluoro-3-pyridinyl)oxy]ethyl]amino]ethyl]-6-iodoimidazo[1,2-a]pyridine-2-carboxamide;dihydrochloride (PubChem CID 52952373) has the molecular formula C19H23Cl2FIN5O2 and a molecular weight of 570.23 g/mol. Its IUPAC name is N-[2-[ethyl-[2-[(2-fluoro-3-pyridinyl)oxy]ethyl]amino]ethyl]-6-iodoimidazo[1,2-a]pyridine-2-carboxamide;dihydrochloride.

Molecular Properties

• Compound Name: N-[2-[ethyl-[2-[(2-fluoro-3-pyridinyl)oxy]ethyl]amino]ethyl]-6-iodoimidazo[1,2-a]pyridine-2-carboxamide;dihydrochloride
• PubChem CID: 52952373
• Molecular Formula: C19H23Cl2FIN5O2
• Molecular Weight: 570.23 g/mol
• Exact Mass: 569.03
• IUPAC Name: N-[2-[ethyl-[2-[(2-fluoro-3-pyridinyl)oxy]ethyl]amino]ethyl]-6-iodoimidazo[1,2-a]pyridine-2-carboxamide;dihydrochloride
• SMILES: CCN(CCNC(=O)c1cn2cc(I)ccc2n1)CCOc1cccnc1F.Cl.Cl
• InChI: InChI=1S/C19H21FIN5O2.2ClH/c1-2-25(10-11-28-16-4-3-7-22-18(16)20)9-8-23-19(27)15-13-26-12-14(21)5-6-17(26)24-15;;/h3-7,12-13H,2,8-11H2,1H3,(H,23,27);2*1H
• InChIKey: YDXABMMHDPIODG-UHFFFAOYSA-N
• XLogP: 3.45
• TPSA: 71.76 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	570.23
LogP ≤ 5	3.45
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[2-[ethyl-[2-[(2-fluoro-3-pyridinyl)oxy]ethyl]amino]ethyl]-6-iodoimidazo[1,2-a]pyridine-2-carboxamide;dihydrochloride?

The IUPAC name of N-[2-[ethyl-[2-[(2-fluoro-3-pyridinyl)oxy]ethyl]amino]ethyl]-6-iodoimidazo[1,2-a]pyridine-2-carboxamide;dihydrochloride (CID 52952373) is N-[2-[ethyl-[2-[(2-fluoro-3-pyridinyl)oxy]ethyl]amino]ethyl]-6-iodoimidazo[1,2-a]pyridine-2-carboxamide;dihydrochloride.

What is the SMILES notation for N-[2-[ethyl-[2-[(2-fluoro-3-pyridinyl)oxy]ethyl]amino]ethyl]-6-iodoimidazo[1,2-a]pyridine-2-carboxamide;dihydrochloride?

The canonical SMILES for N-[2-[ethyl-[2-[(2-fluoro-3-pyridinyl)oxy]ethyl]amino]ethyl]-6-iodoimidazo[1,2-a]pyridine-2-carboxamide;dihydrochloride is CCN(CCNC(=O)c1cn2cc(I)ccc2n1)CCOc1cccnc1F.Cl.Cl.

What is the InChIKey of N-[2-[ethyl-[2-[(2-fluoro-3-pyridinyl)oxy]ethyl]amino]ethyl]-6-iodoimidazo[1,2-a]pyridine-2-carboxamide;dihydrochloride?

The InChIKey is YDXABMMHDPIODG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FIN5O2.2ClH/c1-2-25(10-11-28-16-4-3-7-22-18(16)20)9-8-23-19(27)15-13-26-12-14(21)5-6-17(26)24-15;;/h3-7,12-13H,2,8-11H2,1H3,(H,23,27);2*1H.

What are the key properties of N-[2-[ethyl-[2-[(2-fluoro-3-pyridinyl)oxy]ethyl]amino]ethyl]-6-iodoimidazo[1,2-a]pyridine-2-carboxamide;dihydrochloride?

N-[2-[ethyl-[2-[(2-fluoro-3-pyridinyl)oxy]ethyl]amino]ethyl]-6-iodoimidazo[1,2-a]pyridine-2-carboxamide;dihydrochloride has a molecular weight of 570.23 g/mol, XLogP of 3.45, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[ethyl-[2-[(2-fluoro-3-pyridinyl)oxy]ethyl]amino]ethyl]-6-iodoimidazo[1,2-a]pyridine-2-carboxamide;dihydrochloride is sourced from PubChem (CID 52952373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).