1-[3-[7-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea;7-(4-fluorophenyl)-3-iodoimidazo[1,2-a]pyridine;1-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(2,2,2-trifluoroethyl)urea

C50H44BF8IN8O4 — CID 158454323

About 1-[3-[7-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea;7-(4-fluorophenyl)-3-iodoimidazo[1,2-a]pyridine;1-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(2,2,2-trifluoroethyl)urea

1-[3-[7-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea;7-(4-fluorophenyl)-3-iodoimidazo[1,2-a]pyridine;1-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(2,2,2-trifluoroethyl)urea (PubChem CID 158454323) has the molecular formula C50H44BF8IN8O4 and a molecular weight of 1110.65 g/mol. Its IUPAC name is 1-[3-[7-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea;7-(4-fluorophenyl)-3-iodoimidazo[1,2-a]pyridine;1-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(2,2,2-trifluoroethyl)urea.

Molecular Properties

• Compound Name: 1-[3-[7-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea;7-(4-fluorophenyl)-3-iodoimidazo[1,2-a]pyridine;1-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(2,2,2-trifluoroethyl)urea
• PubChem CID: 158454323
• Molecular Formula: C50H44BF8IN8O4
• Molecular Weight: 1110.65 g/mol
• Exact Mass: 1110.25
• IUPAC Name: 1-[3-[7-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea;7-(4-fluorophenyl)-3-iodoimidazo[1,2-a]pyridine;1-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(2,2,2-trifluoroethyl)urea
• SMILES: CC1(C)OB(c2cccc(NC(=O)NCC(F)(F)F)c2)OC1(C)C.Fc1ccc(-c2ccn3c(I)cnc3c2)cc1.O=C(NCC(F)(F)F)Nc1cccc(-c2cnc3cc(-c4ccc(F)cc4)ccn23)c1
• InChI: InChI=1S/C22H16F4N4O.C15H20BF3N2O3.C13H8FIN2/c23-17-6-4-14(5-7-17)15-8-9-30-19(12-27-20(30)11-15)16-2-1-3-18(10-16)29-21(31)28-13-22(24,25)26;1-13(2)14(3,4)24-16(23-13)10-6-5-7-11(8-10)21-12(22)20-9-15(17,18)19;14-11-3-1-9(2-4-11)10-5-6-17-12(15)8-16-13(17)7-10/h1-12H,13H2,(H2,28,29,31);5-8H,9H2,1-4H3,(H2,20,21,22);1-8H
• InChIKey: HEJODFJGQSKBHI-UHFFFAOYSA-N
• XLogP: 11.91
• TPSA: 135.32 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 72
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1110.65
LogP ≤ 5	11.91
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[3-[7-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea;7-(4-fluorophenyl)-3-iodoimidazo[1,2-a]pyridine;1-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(2,2,2-trifluoroethyl)urea?

The IUPAC name of 1-[3-[7-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea;7-(4-fluorophenyl)-3-iodoimidazo[1,2-a]pyridine;1-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(2,2,2-trifluoroethyl)urea (CID 158454323) is 1-[3-[7-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea;7-(4-fluorophenyl)-3-iodoimidazo[1,2-a]pyridine;1-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(2,2,2-trifluoroethyl)urea.

What is the SMILES notation for 1-[3-[7-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea;7-(4-fluorophenyl)-3-iodoimidazo[1,2-a]pyridine;1-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(2,2,2-trifluoroethyl)urea?

The canonical SMILES for 1-[3-[7-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea;7-(4-fluorophenyl)-3-iodoimidazo[1,2-a]pyridine;1-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(2,2,2-trifluoroethyl)urea is CC1(C)OB(c2cccc(NC(=O)NCC(F)(F)F)c2)OC1(C)C.Fc1ccc(-c2ccn3c(I)cnc3c2)cc1.O=C(NCC(F)(F)F)Nc1cccc(-c2cnc3cc(-c4ccc(F)cc4)ccn23)c1.

What is the InChIKey of 1-[3-[7-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea;7-(4-fluorophenyl)-3-iodoimidazo[1,2-a]pyridine;1-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(2,2,2-trifluoroethyl)urea?

The InChIKey is HEJODFJGQSKBHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16F4N4O.C15H20BF3N2O3.C13H8FIN2/c23-17-6-4-14(5-7-17)15-8-9-30-19(12-27-20(30)11-15)16-2-1-3-18(10-16)29-21(31)28-13-22(24,25)26;1-13(2)14(3,4)24-16(23-13)10-6-5-7-11(8-10)21-12(22)20-9-15(17,18)19;14-11-3-1-9(2-4-11)10-5-6-17-12(15)8-16-13(17)7-10/h1-12H,13H2,(H2,28,29,31);5-8H,9H2,1-4H3,(H2,20,21,22);1-8H.

What are the key properties of 1-[3-[7-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea;7-(4-fluorophenyl)-3-iodoimidazo[1,2-a]pyridine;1-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(2,2,2-trifluoroethyl)urea?

1-[3-[7-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea;7-(4-fluorophenyl)-3-iodoimidazo[1,2-a]pyridine;1-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(2,2,2-trifluoroethyl)urea has a molecular weight of 1110.65 g/mol, XLogP of 11.91, 8 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-[7-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea;7-(4-fluorophenyl)-3-iodoimidazo[1,2-a]pyridine;1-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(2,2,2-trifluoroethyl)urea is sourced from PubChem (CID 158454323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).