5-[8-(4-acetyl-3-fluoroanilino)imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one;4-[(5-chloroimidazo[1,2-a]pyridin-8-yl)amino]-2-fluorobenzoic acid;2-fluoro-4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzoic acid;methyl 4-[(5-chloroimidazo[1,2-a]pyridin-8-yl)amino]-2-fluorobenzoate;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydroisoindol-1-one

C88H70BCl2F4N15O12 — CID 158612972

About 5-[8-(4-acetyl-3-fluoroanilino)imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one;4-[(5-chloroimidazo[1,2-a]pyridin-8-yl)amino]-2-fluorobenzoic acid;2-fluoro-4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzoic acid;methyl 4-[(5-chloroimidazo[1,2-a]pyridin-8-yl)amino]-2-fluorobenzoate;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydroisoindol-1-one

5-[8-(4-acetyl-3-fluoroanilino)imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one;4-[(5-chloroimidazo[1,2-a]pyridin-8-yl)amino]-2-fluorobenzoic acid;2-fluoro-4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzoic acid;methyl 4-[(5-chloroimidazo[1,2-a]pyridin-8-yl)amino]-2-fluorobenzoate;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydroisoindol-1-one (PubChem CID 158612972) has the molecular formula C88H70BCl2F4N15O12 and a molecular weight of 1687.33 g/mol. Its IUPAC name is 5-[8-(4-acetyl-3-fluoroanilino)imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one;4-[(5-chloroimidazo[1,2-a]pyridin-8-yl)amino]-2-fluorobenzoic acid;2-fluoro-4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzoic acid;methyl 4-[(5-chloroimidazo[1,2-a]pyridin-8-yl)amino]-2-fluorobenzoate;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydroisoindol-1-one.

Molecular Properties

• Compound Name: 5-[8-(4-acetyl-3-fluoroanilino)imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one;4-[(5-chloroimidazo[1,2-a]pyridin-8-yl)amino]-2-fluorobenzoic acid;2-fluoro-4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzoic acid;methyl 4-[(5-chloroimidazo[1,2-a]pyridin-8-yl)amino]-2-fluorobenzoate;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydroisoindol-1-one
• PubChem CID: 158612972
• Molecular Formula: C88H70BCl2F4N15O12
• Molecular Weight: 1687.33 g/mol
• Exact Mass: 1685.47
• IUPAC Name: 5-[8-(4-acetyl-3-fluoroanilino)imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one;4-[(5-chloroimidazo[1,2-a]pyridin-8-yl)amino]-2-fluorobenzoic acid;2-fluoro-4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzoic acid;methyl 4-[(5-chloroimidazo[1,2-a]pyridin-8-yl)amino]-2-fluorobenzoate;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydroisoindol-1-one
• SMILES: CC(=O)c1ccc(Nc2ccc(-c3ccc4c(c3)CNC4=O)n3ccnc23)cc1F.CC1(C)OB(c2ccc3c(c2)CNC3=O)OC1(C)C.COC(=O)c1ccc(Nc2ccc(Cl)n3ccnc23)cc1F.O=C(O)c1ccc(Nc2ccc(-c3ccc4c(c3)CNC4=O)n3ccnc23)cc1F.O=C(O)c1ccc(Nc2ccc(Cl)n3ccnc23)cc1F
• InChI: InChI=1S/C23H17FN4O2.C22H15FN4O3.C15H11ClFN3O2.C14H18BNO3.C14H9ClFN3O2/c1-13(29)17-5-3-16(11-19(17)24)27-20-6-7-21(28-9-8-25-22(20)28)14-2-4-18-15(10-14)12-26-23(18)30;23-17-10-14(2-4-16(17)22(29)30)26-18-5-6-19(27-8-7-24-20(18)27)12-1-3-15-13(9-12)11-25-21(15)28;1-22-15(21)10-3-2-9(8-11(10)17)19-12-4-5-13(16)20-7-6-18-14(12)20;1-13(2)14(3,4)19-15(18-13)10-5-6-11-9(7-10)8-16-12(11)17;15-12-4-3-11(13-17-5-6-19(12)13)18-8-1-2-9(14(20)21)10(16)7-8/h2-11,27H,12H2,1H3,(H,26,30);1-10,26H,11H2,(H,25,28)(H,29,30);2-8,19H,1H3;5-7H,8H2,1-4H3,(H,16,17);1-7,18H,(H,20,21)
• InChIKey: HXBDXKUZPZNTCH-UHFFFAOYSA-N
• XLogP: 16.61
• TPSA: 341.05 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 22
• Rotatable Bonds: 15
• Heavy Atoms: 122
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1687.33
LogP ≤ 5	16.61
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-[8-(4-acetyl-3-fluoroanilino)imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one;4-[(5-chloroimidazo[1,2-a]pyridin-8-yl)amino]-2-fluorobenzoic acid;2-fluoro-4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzoic acid;methyl 4-[(5-chloroimidazo[1,2-a]pyridin-8-yl)amino]-2-fluorobenzoate;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydroisoindol-1-one?

The IUPAC name of 5-[8-(4-acetyl-3-fluoroanilino)imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one;4-[(5-chloroimidazo[1,2-a]pyridin-8-yl)amino]-2-fluorobenzoic acid;2-fluoro-4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzoic acid;methyl 4-[(5-chloroimidazo[1,2-a]pyridin-8-yl)amino]-2-fluorobenzoate;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydroisoindol-1-one (CID 158612972) is 5-[8-(4-acetyl-3-fluoroanilino)imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one;4-[(5-chloroimidazo[1,2-a]pyridin-8-yl)amino]-2-fluorobenzoic acid;2-fluoro-4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzoic acid;methyl 4-[(5-chloroimidazo[1,2-a]pyridin-8-yl)amino]-2-fluorobenzoate;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydroisoindol-1-one.

What is the SMILES notation for 5-[8-(4-acetyl-3-fluoroanilino)imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one;4-[(5-chloroimidazo[1,2-a]pyridin-8-yl)amino]-2-fluorobenzoic acid;2-fluoro-4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzoic acid;methyl 4-[(5-chloroimidazo[1,2-a]pyridin-8-yl)amino]-2-fluorobenzoate;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydroisoindol-1-one?

The canonical SMILES for 5-[8-(4-acetyl-3-fluoroanilino)imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one;4-[(5-chloroimidazo[1,2-a]pyridin-8-yl)amino]-2-fluorobenzoic acid;2-fluoro-4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzoic acid;methyl 4-[(5-chloroimidazo[1,2-a]pyridin-8-yl)amino]-2-fluorobenzoate;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydroisoindol-1-one is CC(=O)c1ccc(Nc2ccc(-c3ccc4c(c3)CNC4=O)n3ccnc23)cc1F.CC1(C)OB(c2ccc3c(c2)CNC3=O)OC1(C)C.COC(=O)c1ccc(Nc2ccc(Cl)n3ccnc23)cc1F.O=C(O)c1ccc(Nc2ccc(-c3ccc4c(c3)CNC4=O)n3ccnc23)cc1F.O=C(O)c1ccc(Nc2ccc(Cl)n3ccnc23)cc1F.

What is the InChIKey of 5-[8-(4-acetyl-3-fluoroanilino)imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one;4-[(5-chloroimidazo[1,2-a]pyridin-8-yl)amino]-2-fluorobenzoic acid;2-fluoro-4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzoic acid;methyl 4-[(5-chloroimidazo[1,2-a]pyridin-8-yl)amino]-2-fluorobenzoate;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydroisoindol-1-one?

The InChIKey is HXBDXKUZPZNTCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17FN4O2.C22H15FN4O3.C15H11ClFN3O2.C14H18BNO3.C14H9ClFN3O2/c1-13(29)17-5-3-16(11-19(17)24)27-20-6-7-21(28-9-8-25-22(20)28)14-2-4-18-15(10-14)12-26-23(18)30;23-17-10-14(2-4-16(17)22(29)30)26-18-5-6-19(27-8-7-24-20(18)27)12-1-3-15-13(9-12)11-25-21(15)28;1-22-15(21)10-3-2-9(8-11(10)17)19-12-4-5-13(16)20-7-6-18-14(12)20;1-13(2)14(3,4)19-15(18-13)10-5-6-11-9(7-10)8-16-12(11)17;15-12-4-3-11(13-17-5-6-19(12)13)18-8-1-2-9(14(20)21)10(16)7-8/h2-11,27H,12H2,1H3,(H,26,30);1-10,26H,11H2,(H,25,28)(H,29,30);2-8,19H,1H3;5-7H,8H2,1-4H3,(H,16,17);1-7,18H,(H,20,21).

What are the key properties of 5-[8-(4-acetyl-3-fluoroanilino)imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one;4-[(5-chloroimidazo[1,2-a]pyridin-8-yl)amino]-2-fluorobenzoic acid;2-fluoro-4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzoic acid;methyl 4-[(5-chloroimidazo[1,2-a]pyridin-8-yl)amino]-2-fluorobenzoate;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydroisoindol-1-one?

5-[8-(4-acetyl-3-fluoroanilino)imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one;4-[(5-chloroimidazo[1,2-a]pyridin-8-yl)amino]-2-fluorobenzoic acid;2-fluoro-4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzoic acid;methyl 4-[(5-chloroimidazo[1,2-a]pyridin-8-yl)amino]-2-fluorobenzoate;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydroisoindol-1-one has a molecular weight of 1687.33 g/mol, XLogP of 16.61, 15 rotatable bonds, 9 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[8-(4-acetyl-3-fluoroanilino)imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one;4-[(5-chloroimidazo[1,2-a]pyridin-8-yl)amino]-2-fluorobenzoic acid;2-fluoro-4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzoic acid;methyl 4-[(5-chloroimidazo[1,2-a]pyridin-8-yl)amino]-2-fluorobenzoate;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydroisoindol-1-one is sourced from PubChem (CID 158612972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).