ethyl 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-oxo-1H-pyrimidine-5-carboxylate;6-fluoroimidazo[1,2-a]pyridine-3-carboximidamide;hydrochloride

C22H19ClF2N8O3 — CID 161247012

About ethyl 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-oxo-1H-pyrimidine-5-carboxylate;6-fluoroimidazo[1,2-a]pyridine-3-carboximidamide;hydrochloride

ethyl 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-oxo-1H-pyrimidine-5-carboxylate;6-fluoroimidazo[1,2-a]pyridine-3-carboximidamide;hydrochloride (PubChem CID 161247012) has the molecular formula C22H19ClF2N8O3 and a molecular weight of 516.90 g/mol. Its IUPAC name is ethyl 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-oxo-1H-pyrimidine-5-carboxylate;6-fluoroimidazo[1,2-a]pyridine-3-carboximidamide;hydrochloride.

Molecular Properties

• Compound Name: ethyl 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-oxo-1H-pyrimidine-5-carboxylate;6-fluoroimidazo[1,2-a]pyridine-3-carboximidamide;hydrochloride
• PubChem CID: 161247012
• Molecular Formula: C22H19ClF2N8O3
• Molecular Weight: 516.90 g/mol
• Exact Mass: 516.12
• IUPAC Name: ethyl 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-oxo-1H-pyrimidine-5-carboxylate;6-fluoroimidazo[1,2-a]pyridine-3-carboximidamide;hydrochloride
• SMILES: CCOC(=O)c1cnc(-c2cnc3ccc(F)cn23)[nH]c1=O.Cl.[H]/N=C(\N)c1cnc2ccc(F)cn12
• InChI: InChI=1S/C14H11FN4O3.C8H7FN4.ClH/c1-2-22-14(21)9-5-17-12(18-13(9)20)10-6-16-11-4-3-8(15)7-19(10)11;9-5-1-2-7-12-3-6(8(10)11)13(7)4-5;/h3-7H,2H2,1H3,(H,17,18,20);1-4H,(H3,10,11);1H
• InChIKey: XRSGAAUVTNVFFG-UHFFFAOYSA-N
• XLogP: 2.58
• TPSA: 156.52 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 4
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	516.90
LogP ≤ 5	2.58
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-oxo-1H-pyrimidine-5-carboxylate;6-fluoroimidazo[1,2-a]pyridine-3-carboximidamide;hydrochloride?

The IUPAC name of ethyl 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-oxo-1H-pyrimidine-5-carboxylate;6-fluoroimidazo[1,2-a]pyridine-3-carboximidamide;hydrochloride (CID 161247012) is ethyl 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-oxo-1H-pyrimidine-5-carboxylate;6-fluoroimidazo[1,2-a]pyridine-3-carboximidamide;hydrochloride.

What is the SMILES notation for ethyl 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-oxo-1H-pyrimidine-5-carboxylate;6-fluoroimidazo[1,2-a]pyridine-3-carboximidamide;hydrochloride?

The canonical SMILES for ethyl 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-oxo-1H-pyrimidine-5-carboxylate;6-fluoroimidazo[1,2-a]pyridine-3-carboximidamide;hydrochloride is CCOC(=O)c1cnc(-c2cnc3ccc(F)cn23)[nH]c1=O.Cl.[H]/N=C(\N)c1cnc2ccc(F)cn12.

What is the InChIKey of ethyl 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-oxo-1H-pyrimidine-5-carboxylate;6-fluoroimidazo[1,2-a]pyridine-3-carboximidamide;hydrochloride?

The InChIKey is XRSGAAUVTNVFFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN4O3.C8H7FN4.ClH/c1-2-22-14(21)9-5-17-12(18-13(9)20)10-6-16-11-4-3-8(15)7-19(10)11;9-5-1-2-7-12-3-6(8(10)11)13(7)4-5;/h3-7H,2H2,1H3,(H,17,18,20);1-4H,(H3,10,11);1H.

What are the key properties of ethyl 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-oxo-1H-pyrimidine-5-carboxylate;6-fluoroimidazo[1,2-a]pyridine-3-carboximidamide;hydrochloride?

ethyl 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-oxo-1H-pyrimidine-5-carboxylate;6-fluoroimidazo[1,2-a]pyridine-3-carboximidamide;hydrochloride has a molecular weight of 516.90 g/mol, XLogP of 2.58, 4 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-oxo-1H-pyrimidine-5-carboxylate;6-fluoroimidazo[1,2-a]pyridine-3-carboximidamide;hydrochloride is sourced from PubChem (CID 161247012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).