carbon dioxide;3-(4,6-dichloro-5-fluoropyrimidin-2-yl)-6-fluoroimidazo[1,2-a]pyridine;ethyl 2-fluorobutanoate;5-fluoro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-4-hydroxy-1H-pyrimidin-6-one;6-fluoroimidazo[1,2-a]pyridine-3-carboximidamide

C37H28Cl2F6N12O6 — CID 176545544

About carbon dioxide;3-(4,6-dichloro-5-fluoropyrimidin-2-yl)-6-fluoroimidazo[1,2-a]pyridine;ethyl 2-fluorobutanoate;5-fluoro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-4-hydroxy-1H-pyrimidin-6-one;6-fluoroimidazo[1,2-a]pyridine-3-carboximidamide

carbon dioxide;3-(4,6-dichloro-5-fluoropyrimidin-2-yl)-6-fluoroimidazo[1,2-a]pyridine;ethyl 2-fluorobutanoate;5-fluoro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-4-hydroxy-1H-pyrimidin-6-one;6-fluoroimidazo[1,2-a]pyridine-3-carboximidamide (PubChem CID 176545544) has the molecular formula C37H28Cl2F6N12O6 and a molecular weight of 921.60 g/mol. Its IUPAC name is carbon dioxide;3-(4,6-dichloro-5-fluoropyrimidin-2-yl)-6-fluoroimidazo[1,2-a]pyridine;ethyl 2-fluorobutanoate;5-fluoro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-4-hydroxy-1H-pyrimidin-6-one;6-fluoroimidazo[1,2-a]pyridine-3-carboximidamide.

Molecular Properties

• Compound Name: carbon dioxide;3-(4,6-dichloro-5-fluoropyrimidin-2-yl)-6-fluoroimidazo[1,2-a]pyridine;ethyl 2-fluorobutanoate;5-fluoro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-4-hydroxy-1H-pyrimidin-6-one;6-fluoroimidazo[1,2-a]pyridine-3-carboximidamide
• PubChem CID: 176545544
• Molecular Formula: C37H28Cl2F6N12O6
• Molecular Weight: 921.60 g/mol
• Exact Mass: 920.15
• IUPAC Name: carbon dioxide;3-(4,6-dichloro-5-fluoropyrimidin-2-yl)-6-fluoroimidazo[1,2-a]pyridine;ethyl 2-fluorobutanoate;5-fluoro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-4-hydroxy-1H-pyrimidin-6-one;6-fluoroimidazo[1,2-a]pyridine-3-carboximidamide
• SMILES: CCOC(=O)C(F)CC.Fc1ccc2ncc(-c3nc(Cl)c(F)c(Cl)n3)n2c1.O=C=O.O=c1[nH]c(-c2cnc3ccc(F)cn23)nc(O)c1F.[H]/N=C(\N)c1cnc2ccc(F)cn12
• InChI: InChI=1S/C11H4Cl2F2N4.C11H6F2N4O2.C8H7FN4.C6H11FO2.CO2/c12-9-8(15)10(13)18-11(17-9)6-3-16-7-2-1-5(14)4-19(6)7;12-5-1-2-7-14-3-6(17(7)4-5)9-15-10(18)8(13)11(19)16-9;9-5-1-2-7-12-3-6(8(10)11)13(7)4-5;1-3-5(7)6(8)9-4-2;2-1-3/h1-4H;1-4H,(H2,15,16,18,19);1-4H,(H3,10,11);5H,3-4H2,1-2H3
• InChIKey: ARPAPWFFBGTBAX-UHFFFAOYSA-N
• XLogP: 5.92
• TPSA: 253.97 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 16
• Rotatable Bonds: 6
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	921.60
LogP ≤ 5	5.92
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	16

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 carbon dioxide;3-(4,6-dichloro-5-fluoropyrimidin-2-yl)-6-fluoroimidazo[1,2-a]pyridine;ethyl 2-fluorobutanoate;5-fluoro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-4-hydroxy-1H-pyrimidin-6-one;6-fluoroimidazo[1,2-a]pyridine-3-carboximidamide?

The IUPAC name of carbon dioxide;3-(4,6-dichloro-5-fluoropyrimidin-2-yl)-6-fluoroimidazo[1,2-a]pyridine;ethyl 2-fluorobutanoate;5-fluoro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-4-hydroxy-1H-pyrimidin-6-one;6-fluoroimidazo[1,2-a]pyridine-3-carboximidamide (CID 176545544) is carbon dioxide;3-(4,6-dichloro-5-fluoropyrimidin-2-yl)-6-fluoroimidazo[1,2-a]pyridine;ethyl 2-fluorobutanoate;5-fluoro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-4-hydroxy-1H-pyrimidin-6-one;6-fluoroimidazo[1,2-a]pyridine-3-carboximidamide.

What is the SMILES notation for carbon dioxide;3-(4,6-dichloro-5-fluoropyrimidin-2-yl)-6-fluoroimidazo[1,2-a]pyridine;ethyl 2-fluorobutanoate;5-fluoro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-4-hydroxy-1H-pyrimidin-6-one;6-fluoroimidazo[1,2-a]pyridine-3-carboximidamide?

The canonical SMILES for carbon dioxide;3-(4,6-dichloro-5-fluoropyrimidin-2-yl)-6-fluoroimidazo[1,2-a]pyridine;ethyl 2-fluorobutanoate;5-fluoro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-4-hydroxy-1H-pyrimidin-6-one;6-fluoroimidazo[1,2-a]pyridine-3-carboximidamide is CCOC(=O)C(F)CC.Fc1ccc2ncc(-c3nc(Cl)c(F)c(Cl)n3)n2c1.O=C=O.O=c1[nH]c(-c2cnc3ccc(F)cn23)nc(O)c1F.[H]/N=C(\N)c1cnc2ccc(F)cn12.

What is the InChIKey of carbon dioxide;3-(4,6-dichloro-5-fluoropyrimidin-2-yl)-6-fluoroimidazo[1,2-a]pyridine;ethyl 2-fluorobutanoate;5-fluoro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-4-hydroxy-1H-pyrimidin-6-one;6-fluoroimidazo[1,2-a]pyridine-3-carboximidamide?

The InChIKey is ARPAPWFFBGTBAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H4Cl2F2N4.C11H6F2N4O2.C8H7FN4.C6H11FO2.CO2/c12-9-8(15)10(13)18-11(17-9)6-3-16-7-2-1-5(14)4-19(6)7;12-5-1-2-7-14-3-6(17(7)4-5)9-15-10(18)8(13)11(19)16-9;9-5-1-2-7-12-3-6(8(10)11)13(7)4-5;1-3-5(7)6(8)9-4-2;2-1-3/h1-4H;1-4H,(H2,15,16,18,19);1-4H,(H3,10,11);5H,3-4H2,1-2H3;.

What are the key properties of carbon dioxide;3-(4,6-dichloro-5-fluoropyrimidin-2-yl)-6-fluoroimidazo[1,2-a]pyridine;ethyl 2-fluorobutanoate;5-fluoro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-4-hydroxy-1H-pyrimidin-6-one;6-fluoroimidazo[1,2-a]pyridine-3-carboximidamide?

carbon dioxide;3-(4,6-dichloro-5-fluoropyrimidin-2-yl)-6-fluoroimidazo[1,2-a]pyridine;ethyl 2-fluorobutanoate;5-fluoro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-4-hydroxy-1H-pyrimidin-6-one;6-fluoroimidazo[1,2-a]pyridine-3-carboximidamide has a molecular weight of 921.60 g/mol, XLogP of 5.92, 6 rotatable bonds, 4 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for carbon dioxide;3-(4,6-dichloro-5-fluoropyrimidin-2-yl)-6-fluoroimidazo[1,2-a]pyridine;ethyl 2-fluorobutanoate;5-fluoro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-4-hydroxy-1H-pyrimidin-6-one;6-fluoroimidazo[1,2-a]pyridine-3-carboximidamide is sourced from PubChem (CID 176545544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).