4-[8-(2-aminophenyl)imidazo[1,2-a]pyridin-2-yl]phenol;4-(8-bromoimidazo[1,2-a]pyridin-2-yl)phenol;3-bromopyridin-2-amine;2-[2-[2-(4-hydroxyphenyl)imidazo[1,2-a]pyridin-8-yl]phenyl]-1-phenylethanone;9-phenyl-15-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-8,13,16-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,8,11,14,16-octaene;4-(9-phenyl-8,13,16-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,8,11,14,16-octaen-15-yl)phenol;[4-(9-phenyl-8,13,16-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,8,11,14,16-octaen-15-yl)phenyl] trifluoromethanesulfonate

C149H110BBr2F3N18O10S — CID 159559178

About 4-[8-(2-aminophenyl)imidazo[1,2-a]pyridin-2-yl]phenol;4-(8-bromoimidazo[1,2-a]pyridin-2-yl)phenol;3-bromopyridin-2-amine;2-[2-[2-(4-hydroxyphenyl)imidazo[1,2-a]pyridin-8-yl]phenyl]-1-phenylethanone;9-phenyl-15-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-8,13,16-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,8,11,14,16-octaene;4-(9-phenyl-8,13,16-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,8,11,14,16-octaen-15-yl)phenol;[4-(9-phenyl-8,13,16-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,8,11,14,16-octaen-15-yl)phenyl] trifluoromethanesulfonate

4-[8-(2-aminophenyl)imidazo[1,2-a]pyridin-2-yl]phenol;4-(8-bromoimidazo[1,2-a]pyridin-2-yl)phenol;3-bromopyridin-2-amine;2-[2-[2-(4-hydroxyphenyl)imidazo[1,2-a]pyridin-8-yl]phenyl]-1-phenylethanone;9-phenyl-15-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-8,13,16-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,8,11,14,16-octaene;4-(9-phenyl-8,13,16-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,8,11,14,16-octaen-15-yl)phenol;[4-(9-phenyl-8,13,16-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,8,11,14,16-octaen-15-yl)phenyl] trifluoromethanesulfonate (PubChem CID 159559178) has the molecular formula C149H110BBr2F3N18O10S and a molecular weight of 2572.32 g/mol. Its IUPAC name is 4-[8-(2-aminophenyl)imidazo[1,2-a]pyridin-2-yl]phenol;4-(8-bromoimidazo[1,2-a]pyridin-2-yl)phenol;3-bromopyridin-2-amine;2-[2-[2-(4-hydroxyphenyl)imidazo[1,2-a]pyridin-8-yl]phenyl]-1-phenylethanone;9-phenyl-15-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-8,13,16-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,8,11,14,16-octaene;4-(9-phenyl-8,13,16-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,8,11,14,16-octaen-15-yl)phenol;[4-(9-phenyl-8,13,16-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,8,11,14,16-octaen-15-yl)phenyl] trifluoromethanesulfonate.

Molecular Properties

• Compound Name: 4-[8-(2-aminophenyl)imidazo[1,2-a]pyridin-2-yl]phenol;4-(8-bromoimidazo[1,2-a]pyridin-2-yl)phenol;3-bromopyridin-2-amine;2-[2-[2-(4-hydroxyphenyl)imidazo[1,2-a]pyridin-8-yl]phenyl]-1-phenylethanone;9-phenyl-15-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-8,13,16-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,8,11,14,16-octaene;4-(9-phenyl-8,13,16-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,8,11,14,16-octaen-15-yl)phenol;[4-(9-phenyl-8,13,16-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,8,11,14,16-octaen-15-yl)phenyl] trifluoromethanesulfonate
• PubChem CID: 159559178
• Molecular Formula: C149H110BBr2F3N18O10S
• Molecular Weight: 2572.32 g/mol
• Exact Mass: 2568.68
• IUPAC Name: 4-[8-(2-aminophenyl)imidazo[1,2-a]pyridin-2-yl]phenol;4-(8-bromoimidazo[1,2-a]pyridin-2-yl)phenol;3-bromopyridin-2-amine;2-[2-[2-(4-hydroxyphenyl)imidazo[1,2-a]pyridin-8-yl]phenyl]-1-phenylethanone;9-phenyl-15-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-8,13,16-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,8,11,14,16-octaene;4-(9-phenyl-8,13,16-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,8,11,14,16-octaen-15-yl)phenol;[4-(9-phenyl-8,13,16-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,8,11,14,16-octaen-15-yl)phenyl] trifluoromethanesulfonate
• SMILES: CC1(C)OB(c2ccc(-c3cn4ccc5c(-c6ccccc6)nc6ccccc6c5c4n3)cc2)OC1(C)C.Nc1ccccc1-c1cccn2cc(-c3ccc(O)cc3)nc12.Nc1ncccc1Br.O=C(Cc1ccccc1-c1cccn2cc(-c3ccc(O)cc3)nc12)c1ccccc1.O=S(=O)(Oc1ccc(-c2cn3ccc4c(-c5ccccc5)nc5ccccc5c4c3n2)cc1)C(F)(F)F.Oc1ccc(-c2cn3ccc4c(-c5ccccc5)nc5ccccc5c4c3n2)cc1.Oc1ccc(-c2cn3cccc(Br)c3n2)cc1
• InChI: InChI=1S/C32H28BN3O2.C27H16F3N3O3S.C27H20N2O2.C26H17N3O.C19H15N3O.C13H9BrN2O.C5H5BrN2/c1-31(2)32(3,4)38-33(37-31)23-16-14-21(15-17-23)27-20-36-19-18-25-28(30(36)35-27)24-12-8-9-13-26(24)34-29(25)22-10-6-5-7-11-22;28-27(29,30)37(34,35)36-19-12-10-17(11-13-19)23-16-33-15-14-21-24(26(33)32-23)20-8-4-5-9-22(20)31-25(21)18-6-2-1-3-7-18;30-22-14-12-19(13-15-22)25-18-29-16-6-11-24(27(29)28-25)23-10-5-4-9-21(23)17-26(31)20-7-2-1-3-8-20;30-19-12-10-17(11-13-19)23-16-29-15-14-21-24(26(29)28-23)20-8-4-5-9-22(20)27-25(21)18-6-2-1-3-7-18;20-17-6-2-1-4-15(17)16-5-3-11-22-12-18(21-19(16)22)13-7-9-14(23)10-8-13;14-11-2-1-7-16-8-12(15-13(11)16)9-3-5-10(17)6-4-9;6-4-2-1-3-8-5(4)7/h5-20H,1-4H3;1-16H;1-16,18,30H,17H2;1-16,30H;1-12,23H,20H2;1-8,17H;1-3H,(H2,7,8)
• InChIKey: MGJNVJZBGYMGRS-UHFFFAOYSA-N
• XLogP: 33.99
• TPSA: 367.22 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 28
• Rotatable Bonds: 17
• Heavy Atoms: 184
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2572.32
LogP ≤ 5	33.99
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}, {'alert_name': 'triflate', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[8-(2-aminophenyl)imidazo[1,2-a]pyridin-2-yl]phenol;4-(8-bromoimidazo[1,2-a]pyridin-2-yl)phenol;3-bromopyridin-2-amine;2-[2-[2-(4-hydroxyphenyl)imidazo[1,2-a]pyridin-8-yl]phenyl]-1-phenylethanone;9-phenyl-15-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-8,13,16-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,8,11,14,16-octaene;4-(9-phenyl-8,13,16-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,8,11,14,16-octaen-15-yl)phenol;[4-(9-phenyl-8,13,16-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,8,11,14,16-octaen-15-yl)phenyl] trifluoromethanesulfonate?

The IUPAC name of 4-[8-(2-aminophenyl)imidazo[1,2-a]pyridin-2-yl]phenol;4-(8-bromoimidazo[1,2-a]pyridin-2-yl)phenol;3-bromopyridin-2-amine;2-[2-[2-(4-hydroxyphenyl)imidazo[1,2-a]pyridin-8-yl]phenyl]-1-phenylethanone;9-phenyl-15-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-8,13,16-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,8,11,14,16-octaene;4-(9-phenyl-8,13,16-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,8,11,14,16-octaen-15-yl)phenol;[4-(9-phenyl-8,13,16-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,8,11,14,16-octaen-15-yl)phenyl] trifluoromethanesulfonate (CID 159559178) is 4-[8-(2-aminophenyl)imidazo[1,2-a]pyridin-2-yl]phenol;4-(8-bromoimidazo[1,2-a]pyridin-2-yl)phenol;3-bromopyridin-2-amine;2-[2-[2-(4-hydroxyphenyl)imidazo[1,2-a]pyridin-8-yl]phenyl]-1-phenylethanone;9-phenyl-15-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-8,13,16-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,8,11,14,16-octaene;4-(9-phenyl-8,13,16-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,8,11,14,16-octaen-15-yl)phenol;[4-(9-phenyl-8,13,16-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,8,11,14,16-octaen-15-yl)phenyl] trifluoromethanesulfonate.

What is the SMILES notation for 4-[8-(2-aminophenyl)imidazo[1,2-a]pyridin-2-yl]phenol;4-(8-bromoimidazo[1,2-a]pyridin-2-yl)phenol;3-bromopyridin-2-amine;2-[2-[2-(4-hydroxyphenyl)imidazo[1,2-a]pyridin-8-yl]phenyl]-1-phenylethanone;9-phenyl-15-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-8,13,16-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,8,11,14,16-octaene;4-(9-phenyl-8,13,16-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,8,11,14,16-octaen-15-yl)phenol;[4-(9-phenyl-8,13,16-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,8,11,14,16-octaen-15-yl)phenyl] trifluoromethanesulfonate?

The canonical SMILES for 4-[8-(2-aminophenyl)imidazo[1,2-a]pyridin-2-yl]phenol;4-(8-bromoimidazo[1,2-a]pyridin-2-yl)phenol;3-bromopyridin-2-amine;2-[2-[2-(4-hydroxyphenyl)imidazo[1,2-a]pyridin-8-yl]phenyl]-1-phenylethanone;9-phenyl-15-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-8,13,16-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,8,11,14,16-octaene;4-(9-phenyl-8,13,16-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,8,11,14,16-octaen-15-yl)phenol;[4-(9-phenyl-8,13,16-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,8,11,14,16-octaen-15-yl)phenyl] trifluoromethanesulfonate is CC1(C)OB(c2ccc(-c3cn4ccc5c(-c6ccccc6)nc6ccccc6c5c4n3)cc2)OC1(C)C.Nc1ccccc1-c1cccn2cc(-c3ccc(O)cc3)nc12.Nc1ncccc1Br.O=C(Cc1ccccc1-c1cccn2cc(-c3ccc(O)cc3)nc12)c1ccccc1.O=S(=O)(Oc1ccc(-c2cn3ccc4c(-c5ccccc5)nc5ccccc5c4c3n2)cc1)C(F)(F)F.Oc1ccc(-c2cn3ccc4c(-c5ccccc5)nc5ccccc5c4c3n2)cc1.Oc1ccc(-c2cn3cccc(Br)c3n2)cc1.

What is the InChIKey of 4-[8-(2-aminophenyl)imidazo[1,2-a]pyridin-2-yl]phenol;4-(8-bromoimidazo[1,2-a]pyridin-2-yl)phenol;3-bromopyridin-2-amine;2-[2-[2-(4-hydroxyphenyl)imidazo[1,2-a]pyridin-8-yl]phenyl]-1-phenylethanone;9-phenyl-15-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-8,13,16-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,8,11,14,16-octaene;4-(9-phenyl-8,13,16-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,8,11,14,16-octaen-15-yl)phenol;[4-(9-phenyl-8,13,16-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,8,11,14,16-octaen-15-yl)phenyl] trifluoromethanesulfonate?

The InChIKey is MGJNVJZBGYMGRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H28BN3O2.C27H16F3N3O3S.C27H20N2O2.C26H17N3O.C19H15N3O.C13H9BrN2O.C5H5BrN2/c1-31(2)32(3,4)38-33(37-31)23-16-14-21(15-17-23)27-20-36-19-18-25-28(30(36)35-27)24-12-8-9-13-26(24)34-29(25)22-10-6-5-7-11-22;28-27(29,30)37(34,35)36-19-12-10-17(11-13-19)23-16-33-15-14-21-24(26(33)32-23)20-8-4-5-9-22(20)31-25(21)18-6-2-1-3-7-18;30-22-14-12-19(13-15-22)25-18-29-16-6-11-24(27(29)28-25)23-10-5-4-9-21(23)17-26(31)20-7-2-1-3-8-20;30-19-12-10-17(11-13-19)23-16-29-15-14-21-24(26(29)28-23)20-8-4-5-9-22(20)27-25(21)18-6-2-1-3-7-18;20-17-6-2-1-4-15(17)16-5-3-11-22-12-18(21-19(16)22)13-7-9-14(23)10-8-13;14-11-2-1-7-16-8-12(15-13(11)16)9-3-5-10(17)6-4-9;6-4-2-1-3-8-5(4)7/h5-20H,1-4H3;1-16H;1-16,18,30H,17H2;1-16,30H;1-12,23H,20H2;1-8,17H;1-3H,(H2,7,8).

What are the key properties of 4-[8-(2-aminophenyl)imidazo[1,2-a]pyridin-2-yl]phenol;4-(8-bromoimidazo[1,2-a]pyridin-2-yl)phenol;3-bromopyridin-2-amine;2-[2-[2-(4-hydroxyphenyl)imidazo[1,2-a]pyridin-8-yl]phenyl]-1-phenylethanone;9-phenyl-15-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-8,13,16-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,8,11,14,16-octaene;4-(9-phenyl-8,13,16-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,8,11,14,16-octaen-15-yl)phenol;[4-(9-phenyl-8,13,16-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,8,11,14,16-octaen-15-yl)phenyl] trifluoromethanesulfonate?

4-[8-(2-aminophenyl)imidazo[1,2-a]pyridin-2-yl]phenol;4-(8-bromoimidazo[1,2-a]pyridin-2-yl)phenol;3-bromopyridin-2-amine;2-[2-[2-(4-hydroxyphenyl)imidazo[1,2-a]pyridin-8-yl]phenyl]-1-phenylethanone;9-phenyl-15-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-8,13,16-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,8,11,14,16-octaene;4-(9-phenyl-8,13,16-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,8,11,14,16-octaen-15-yl)phenol;[4-(9-phenyl-8,13,16-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,8,11,14,16-octaen-15-yl)phenyl] trifluoromethanesulfonate has a molecular weight of 2572.32 g/mol, XLogP of 33.99, 17 rotatable bonds, 6 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[8-(2-aminophenyl)imidazo[1,2-a]pyridin-2-yl]phenol;4-(8-bromoimidazo[1,2-a]pyridin-2-yl)phenol;3-bromopyridin-2-amine;2-[2-[2-(4-hydroxyphenyl)imidazo[1,2-a]pyridin-8-yl]phenyl]-1-phenylethanone;9-phenyl-15-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-8,13,16-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,8,11,14,16-octaene;4-(9-phenyl-8,13,16-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,8,11,14,16-octaen-15-yl)phenol;[4-(9-phenyl-8,13,16-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,8,11,14,16-octaen-15-yl)phenyl] trifluoromethanesulfonate is sourced from PubChem (CID 159559178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).