carbon dioxide;3-(4,6-dichloropyrimidin-2-yl)-6-fluoroimidazo[1,2-a]pyridine;ethyl butanoate;6-fluoroimidazo[1,2-a]pyridine-3-carboximidamide;2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-4-hydroxy-1H-pyrimidin-6-one

C37H31Cl2F3N12O6 — CID 176536557

About carbon dioxide;3-(4,6-dichloropyrimidin-2-yl)-6-fluoroimidazo[1,2-a]pyridine;ethyl butanoate;6-fluoroimidazo[1,2-a]pyridine-3-carboximidamide;2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-4-hydroxy-1H-pyrimidin-6-one

carbon dioxide;3-(4,6-dichloropyrimidin-2-yl)-6-fluoroimidazo[1,2-a]pyridine;ethyl butanoate;6-fluoroimidazo[1,2-a]pyridine-3-carboximidamide;2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-4-hydroxy-1H-pyrimidin-6-one (PubChem CID 176536557) has the molecular formula C37H31Cl2F3N12O6 and a molecular weight of 867.63 g/mol. Its IUPAC name is carbon dioxide;3-(4,6-dichloropyrimidin-2-yl)-6-fluoroimidazo[1,2-a]pyridine;ethyl butanoate;6-fluoroimidazo[1,2-a]pyridine-3-carboximidamide;2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-4-hydroxy-1H-pyrimidin-6-one.

Molecular Properties

• Compound Name: carbon dioxide;3-(4,6-dichloropyrimidin-2-yl)-6-fluoroimidazo[1,2-a]pyridine;ethyl butanoate;6-fluoroimidazo[1,2-a]pyridine-3-carboximidamide;2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-4-hydroxy-1H-pyrimidin-6-one
• PubChem CID: 176536557
• Molecular Formula: C37H31Cl2F3N12O6
• Molecular Weight: 867.63 g/mol
• Exact Mass: 866.18
• IUPAC Name: carbon dioxide;3-(4,6-dichloropyrimidin-2-yl)-6-fluoroimidazo[1,2-a]pyridine;ethyl butanoate;6-fluoroimidazo[1,2-a]pyridine-3-carboximidamide;2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-4-hydroxy-1H-pyrimidin-6-one
• SMILES: CCCC(=O)OCC.Fc1ccc2ncc(-c3nc(Cl)cc(Cl)n3)n2c1.O=C=O.O=c1cc(O)nc(-c2cnc3ccc(F)cn23)[nH]1.[H]/N=C(\N)c1cnc2ccc(F)cn12
• InChI: InChI=1S/C11H5Cl2FN4.C11H7FN4O2.C8H7FN4.C6H12O2.CO2/c12-8-3-9(13)17-11(16-8)7-4-15-10-2-1-6(14)5-18(7)10;12-6-1-2-8-13-4-7(16(8)5-6)11-14-9(17)3-10(18)15-11;9-5-1-2-7-12-3-6(8(10)11)13(7)4-5;1-3-5-6(7)8-4-2;2-1-3/h1-5H;1-5H,(H2,14,15,17,18);1-4H,(H3,10,11);3-5H2,1-2H3
• InChIKey: DLZOZFMAASVORL-UHFFFAOYSA-N
• XLogP: 5.69
• TPSA: 253.97 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 16
• Rotatable Bonds: 6
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	867.63
LogP ≤ 5	5.69
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-dichloropyrimidin-2-yl)-6-fluoroimidazo[1,2-a]pyridine;ethyl butanoate;6-fluoroimidazo[1,2-a]pyridine-3-carboximidamide;2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-4-hydroxy-1H-pyrimidin-6-one?

The IUPAC name of carbon dioxide;3-(4,6-dichloropyrimidin-2-yl)-6-fluoroimidazo[1,2-a]pyridine;ethyl butanoate;6-fluoroimidazo[1,2-a]pyridine-3-carboximidamide;2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-4-hydroxy-1H-pyrimidin-6-one (CID 176536557) is carbon dioxide;3-(4,6-dichloropyrimidin-2-yl)-6-fluoroimidazo[1,2-a]pyridine;ethyl butanoate;6-fluoroimidazo[1,2-a]pyridine-3-carboximidamide;2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-4-hydroxy-1H-pyrimidin-6-one.

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

The canonical SMILES for carbon dioxide;3-(4,6-dichloropyrimidin-2-yl)-6-fluoroimidazo[1,2-a]pyridine;ethyl butanoate;6-fluoroimidazo[1,2-a]pyridine-3-carboximidamide;2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-4-hydroxy-1H-pyrimidin-6-one is CCCC(=O)OCC.Fc1ccc2ncc(-c3nc(Cl)cc(Cl)n3)n2c1.O=C=O.O=c1cc(O)nc(-c2cnc3ccc(F)cn23)[nH]1.[H]/N=C(\N)c1cnc2ccc(F)cn12.

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

The InChIKey is DLZOZFMAASVORL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5Cl2FN4.C11H7FN4O2.C8H7FN4.C6H12O2.CO2/c12-8-3-9(13)17-11(16-8)7-4-15-10-2-1-6(14)5-18(7)10;12-6-1-2-8-13-4-7(16(8)5-6)11-14-9(17)3-10(18)15-11;9-5-1-2-7-12-3-6(8(10)11)13(7)4-5;1-3-5-6(7)8-4-2;2-1-3/h1-5H;1-5H,(H2,14,15,17,18);1-4H,(H3,10,11);3-5H2,1-2H3;.

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

carbon dioxide;3-(4,6-dichloropyrimidin-2-yl)-6-fluoroimidazo[1,2-a]pyridine;ethyl butanoate;6-fluoroimidazo[1,2-a]pyridine-3-carboximidamide;2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-4-hydroxy-1H-pyrimidin-6-one has a molecular weight of 867.63 g/mol, XLogP of 5.69, 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-dichloropyrimidin-2-yl)-6-fluoroimidazo[1,2-a]pyridine;ethyl butanoate;6-fluoroimidazo[1,2-a]pyridine-3-carboximidamide;2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-4-hydroxy-1H-pyrimidin-6-one is sourced from PubChem (CID 176536557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).