3-[2-[3,5-bis[3-(3-isocyanophenyl)imidazo[4,5-b]pyridin-2-yl]phenyl]imidazo[4,5-b]pyridin-3-yl]benzonitrile;2-[3,5-bis(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]-3-phenylimidazo[4,5-b]pyridine;8-[2-[3,5-bis(3-quinolin-8-ylimidazo[4,5-b]pyridin-2-yl)phenyl]imidazo[4,5-b]pyridin-3-yl]quinoline;1-(3-methylphenyl)-2-[3-[1-(3-methylphenyl)benzimidazol-2-yl]-5-[1-[3-(trifluoromethyl)phenyl]benzimidazol-2-yl]phenyl]benzimidazole;1-phenyl-2-[4-(1-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]imidazo[4,5-b]pyridine;3-phenyl-2-[4-[4-(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]phenyl]imidazo[4,5-b]pyridine

C252H158F3N51 — CID 157267190

About 3-[2-[3,5-bis[3-(3-isocyanophenyl)imidazo[4,5-b]pyridin-2-yl]phenyl]imidazo[4,5-b]pyridin-3-yl]benzonitrile;2-[3,5-bis(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]-3-phenylimidazo[4,5-b]pyridine;8-[2-[3,5-bis(3-quinolin-8-ylimidazo[4,5-b]pyridin-2-yl)phenyl]imidazo[4,5-b]pyridin-3-yl]quinoline;1-(3-methylphenyl)-2-[3-[1-(3-methylphenyl)benzimidazol-2-yl]-5-[1-[3-(trifluoromethyl)phenyl]benzimidazol-2-yl]phenyl]benzimidazole;1-phenyl-2-[4-(1-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]imidazo[4,5-b]pyridine;3-phenyl-2-[4-[4-(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]phenyl]imidazo[4,5-b]pyridine

3-[2-[3,5-bis[3-(3-isocyanophenyl)imidazo[4,5-b]pyridin-2-yl]phenyl]imidazo[4,5-b]pyridin-3-yl]benzonitrile;2-[3,5-bis(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]-3-phenylimidazo[4,5-b]pyridine;8-[2-[3,5-bis(3-quinolin-8-ylimidazo[4,5-b]pyridin-2-yl)phenyl]imidazo[4,5-b]pyridin-3-yl]quinoline;1-(3-methylphenyl)-2-[3-[1-(3-methylphenyl)benzimidazol-2-yl]-5-[1-[3-(trifluoromethyl)phenyl]benzimidazol-2-yl]phenyl]benzimidazole;1-phenyl-2-[4-(1-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]imidazo[4,5-b]pyridine;3-phenyl-2-[4-[4-(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]phenyl]imidazo[4,5-b]pyridine (PubChem CID 157267190) has the molecular formula C252H158F3N51 and a molecular weight of 3957.39 g/mol. Its IUPAC name is 3-[2-[3,5-bis[3-(3-isocyanophenyl)imidazo[4,5-b]pyridin-2-yl]phenyl]imidazo[4,5-b]pyridin-3-yl]benzonitrile;2-[3,5-bis(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]-3-phenylimidazo[4,5-b]pyridine;8-[2-[3,5-bis(3-quinolin-8-ylimidazo[4,5-b]pyridin-2-yl)phenyl]imidazo[4,5-b]pyridin-3-yl]quinoline;1-(3-methylphenyl)-2-[3-[1-(3-methylphenyl)benzimidazol-2-yl]-5-[1-[3-(trifluoromethyl)phenyl]benzimidazol-2-yl]phenyl]benzimidazole;1-phenyl-2-[4-(1-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]imidazo[4,5-b]pyridine;3-phenyl-2-[4-[4-(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]phenyl]imidazo[4,5-b]pyridine.

Molecular Properties

• Compound Name: 3-[2-[3,5-bis[3-(3-isocyanophenyl)imidazo[4,5-b]pyridin-2-yl]phenyl]imidazo[4,5-b]pyridin-3-yl]benzonitrile;2-[3,5-bis(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]-3-phenylimidazo[4,5-b]pyridine;8-[2-[3,5-bis(3-quinolin-8-ylimidazo[4,5-b]pyridin-2-yl)phenyl]imidazo[4,5-b]pyridin-3-yl]quinoline;1-(3-methylphenyl)-2-[3-[1-(3-methylphenyl)benzimidazol-2-yl]-5-[1-[3-(trifluoromethyl)phenyl]benzimidazol-2-yl]phenyl]benzimidazole;1-phenyl-2-[4-(1-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]imidazo[4,5-b]pyridine;3-phenyl-2-[4-[4-(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]phenyl]imidazo[4,5-b]pyridine
• PubChem CID: 157267190
• Molecular Formula: C252H158F3N51
• Molecular Weight: 3957.39 g/mol
• Exact Mass: 3954.39
• IUPAC Name: 3-[2-[3,5-bis[3-(3-isocyanophenyl)imidazo[4,5-b]pyridin-2-yl]phenyl]imidazo[4,5-b]pyridin-3-yl]benzonitrile;2-[3,5-bis(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]-3-phenylimidazo[4,5-b]pyridine;8-[2-[3,5-bis(3-quinolin-8-ylimidazo[4,5-b]pyridin-2-yl)phenyl]imidazo[4,5-b]pyridin-3-yl]quinoline;1-(3-methylphenyl)-2-[3-[1-(3-methylphenyl)benzimidazol-2-yl]-5-[1-[3-(trifluoromethyl)phenyl]benzimidazol-2-yl]phenyl]benzimidazole;1-phenyl-2-[4-(1-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]imidazo[4,5-b]pyridine;3-phenyl-2-[4-[4-(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]phenyl]imidazo[4,5-b]pyridine
• SMILES: Cc1cccc(-n2c(-c3cc(-c4nc5ccccc5n4-c4cccc(C)c4)cc(-c4nc5ccccc5n4-c4cccc(C(F)(F)F)c4)c3)nc3ccccc32)c1.[C-]#[N+]c1cccc(-n2c(-c3cc(-c4nc5cccnc5n4-c4cccc(C#N)c4)cc(-c4nc5cccnc5n4-c4cccc([N+]#[C-])c4)c3)nc3cccnc32)c1.c1ccc(-n2c(-c3cc(-c4nc5cccnc5n4-c4ccccc4)cc(-c4nc5cccnc5n4-c4ccccc4)c3)nc3cccnc32)cc1.c1ccc(-n2c(-c3ccc(-c4ccc(-c5nc6cccnc6n5-c5ccccc5)cc4)cc3)nc3cccnc32)cc1.c1ccc(-n2c(-c3ccc(-c4nc5ncccc5n4-c4ccccc4)cc3)nc3ncccc32)cc1.c1cnc2c(-n3c(-c4cc(-c5nc6cccnc6n5-c5cccc6cccnc56)cc(-c5nc6cccnc6n5-c5cccc6cccnc56)c4)nc4cccnc43)cccc2c1
• InChI: InChI=1S/C51H30N12.C48H33F3N6.C45H24N12.C42H27N9.C36H24N6.C30H20N6/c1-10-31-13-4-22-52-43(31)40(19-1)61-46(58-37-16-7-25-55-49(37)61)34-28-35(47-59-38-17-8-26-56-50(38)62(47)41-20-2-11-32-14-5-23-53-44(32)41)30-36(29-34)48-60-39-18-9-27-57-51(39)63(48)42-21-3-12-33-15-6-24-54-45(33)42;1-30-12-9-15-36(24-30)55-42-21-6-3-18-39(42)52-45(55)32-26-33(46-53-40-19-4-7-22-43(40)56(46)37-16-10-13-31(2)25-37)28-34(27-32)47-54-41-20-5-8-23-44(41)57(47)38-17-11-14-35(29-38)48(49,50)51;1-47-32-10-4-13-35(25-32)56-41(53-38-16-7-19-50-44(38)56)30-22-29(40-52-37-15-6-18-49-43(37)55(40)34-12-3-9-28(21-34)27-46)23-31(24-30)42-54-39-17-8-20-51-45(39)57(42)36-14-5-11-33(26-36)48-2;1-4-13-31(14-5-1)49-37(46-34-19-10-22-43-40(34)49)28-25-29(38-47-35-20-11-23-44-41(35)50(38)32-15-6-2-7-16-32)27-30(26-28)39-48-36-21-12-24-45-42(36)51(39)33-17-8-3-9-18-33;1-3-9-29(10-4-1)41-33(39-31-13-7-23-37-35(31)41)27-19-15-25(16-20-27)26-17-21-28(22-18-26)34-40-32-14-8-24-38-36(32)42(34)30-11-5-2-6-12-30;1-3-9-23(10-4-1)35-25-13-7-19-31-27(25)33-29(35)21-15-17-22(18-16-21)30-34-28-26(14-8-20-32-28)36(30)24-11-5-2-6-12-24/h1-30H;3-29H,1-2H3;3-26H;1-27H;1-24H;1-20H
• InChIKey: AYCYSTSEMBALDA-UHFFFAOYSA-N
• XLogP: 56.27
• TPSA: 523.87 Ų
• H-Bond Acceptors: 49
• Rotatable Bonds: 33
• Heavy Atoms: 306
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3957.39
LogP ≤ 5	56.27
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	49

Frequently Asked Questions

What is the IUPAC name of 3-[2-[3,5-bis[3-(3-isocyanophenyl)imidazo[4,5-b]pyridin-2-yl]phenyl]imidazo[4,5-b]pyridin-3-yl]benzonitrile;2-[3,5-bis(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]-3-phenylimidazo[4,5-b]pyridine;8-[2-[3,5-bis(3-quinolin-8-ylimidazo[4,5-b]pyridin-2-yl)phenyl]imidazo[4,5-b]pyridin-3-yl]quinoline;1-(3-methylphenyl)-2-[3-[1-(3-methylphenyl)benzimidazol-2-yl]-5-[1-[3-(trifluoromethyl)phenyl]benzimidazol-2-yl]phenyl]benzimidazole;1-phenyl-2-[4-(1-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]imidazo[4,5-b]pyridine;3-phenyl-2-[4-[4-(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]phenyl]imidazo[4,5-b]pyridine?

The IUPAC name of 3-[2-[3,5-bis[3-(3-isocyanophenyl)imidazo[4,5-b]pyridin-2-yl]phenyl]imidazo[4,5-b]pyridin-3-yl]benzonitrile;2-[3,5-bis(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]-3-phenylimidazo[4,5-b]pyridine;8-[2-[3,5-bis(3-quinolin-8-ylimidazo[4,5-b]pyridin-2-yl)phenyl]imidazo[4,5-b]pyridin-3-yl]quinoline;1-(3-methylphenyl)-2-[3-[1-(3-methylphenyl)benzimidazol-2-yl]-5-[1-[3-(trifluoromethyl)phenyl]benzimidazol-2-yl]phenyl]benzimidazole;1-phenyl-2-[4-(1-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]imidazo[4,5-b]pyridine;3-phenyl-2-[4-[4-(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]phenyl]imidazo[4,5-b]pyridine (CID 157267190) is 3-[2-[3,5-bis[3-(3-isocyanophenyl)imidazo[4,5-b]pyridin-2-yl]phenyl]imidazo[4,5-b]pyridin-3-yl]benzonitrile;2-[3,5-bis(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]-3-phenylimidazo[4,5-b]pyridine;8-[2-[3,5-bis(3-quinolin-8-ylimidazo[4,5-b]pyridin-2-yl)phenyl]imidazo[4,5-b]pyridin-3-yl]quinoline;1-(3-methylphenyl)-2-[3-[1-(3-methylphenyl)benzimidazol-2-yl]-5-[1-[3-(trifluoromethyl)phenyl]benzimidazol-2-yl]phenyl]benzimidazole;1-phenyl-2-[4-(1-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]imidazo[4,5-b]pyridine;3-phenyl-2-[4-[4-(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]phenyl]imidazo[4,5-b]pyridine.

What is the SMILES notation for 3-[2-[3,5-bis[3-(3-isocyanophenyl)imidazo[4,5-b]pyridin-2-yl]phenyl]imidazo[4,5-b]pyridin-3-yl]benzonitrile;2-[3,5-bis(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]-3-phenylimidazo[4,5-b]pyridine;8-[2-[3,5-bis(3-quinolin-8-ylimidazo[4,5-b]pyridin-2-yl)phenyl]imidazo[4,5-b]pyridin-3-yl]quinoline;1-(3-methylphenyl)-2-[3-[1-(3-methylphenyl)benzimidazol-2-yl]-5-[1-[3-(trifluoromethyl)phenyl]benzimidazol-2-yl]phenyl]benzimidazole;1-phenyl-2-[4-(1-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]imidazo[4,5-b]pyridine;3-phenyl-2-[4-[4-(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]phenyl]imidazo[4,5-b]pyridine?

The canonical SMILES for 3-[2-[3,5-bis[3-(3-isocyanophenyl)imidazo[4,5-b]pyridin-2-yl]phenyl]imidazo[4,5-b]pyridin-3-yl]benzonitrile;2-[3,5-bis(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]-3-phenylimidazo[4,5-b]pyridine;8-[2-[3,5-bis(3-quinolin-8-ylimidazo[4,5-b]pyridin-2-yl)phenyl]imidazo[4,5-b]pyridin-3-yl]quinoline;1-(3-methylphenyl)-2-[3-[1-(3-methylphenyl)benzimidazol-2-yl]-5-[1-[3-(trifluoromethyl)phenyl]benzimidazol-2-yl]phenyl]benzimidazole;1-phenyl-2-[4-(1-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]imidazo[4,5-b]pyridine;3-phenyl-2-[4-[4-(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]phenyl]imidazo[4,5-b]pyridine is Cc1cccc(-n2c(-c3cc(-c4nc5ccccc5n4-c4cccc(C)c4)cc(-c4nc5ccccc5n4-c4cccc(C(F)(F)F)c4)c3)nc3ccccc32)c1.[C-]#[N+]c1cccc(-n2c(-c3cc(-c4nc5cccnc5n4-c4cccc(C#N)c4)cc(-c4nc5cccnc5n4-c4cccc([N+]#[C-])c4)c3)nc3cccnc32)c1.c1ccc(-n2c(-c3cc(-c4nc5cccnc5n4-c4ccccc4)cc(-c4nc5cccnc5n4-c4ccccc4)c3)nc3cccnc32)cc1.c1ccc(-n2c(-c3ccc(-c4ccc(-c5nc6cccnc6n5-c5ccccc5)cc4)cc3)nc3cccnc32)cc1.c1ccc(-n2c(-c3ccc(-c4nc5ncccc5n4-c4ccccc4)cc3)nc3ncccc32)cc1.c1cnc2c(-n3c(-c4cc(-c5nc6cccnc6n5-c5cccc6cccnc56)cc(-c5nc6cccnc6n5-c5cccc6cccnc56)c4)nc4cccnc43)cccc2c1.

What is the InChIKey of 3-[2-[3,5-bis[3-(3-isocyanophenyl)imidazo[4,5-b]pyridin-2-yl]phenyl]imidazo[4,5-b]pyridin-3-yl]benzonitrile;2-[3,5-bis(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]-3-phenylimidazo[4,5-b]pyridine;8-[2-[3,5-bis(3-quinolin-8-ylimidazo[4,5-b]pyridin-2-yl)phenyl]imidazo[4,5-b]pyridin-3-yl]quinoline;1-(3-methylphenyl)-2-[3-[1-(3-methylphenyl)benzimidazol-2-yl]-5-[1-[3-(trifluoromethyl)phenyl]benzimidazol-2-yl]phenyl]benzimidazole;1-phenyl-2-[4-(1-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]imidazo[4,5-b]pyridine;3-phenyl-2-[4-[4-(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]phenyl]imidazo[4,5-b]pyridine?

The InChIKey is AYCYSTSEMBALDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H30N12.C48H33F3N6.C45H24N12.C42H27N9.C36H24N6.C30H20N6/c1-10-31-13-4-22-52-43(31)40(19-1)61-46(58-37-16-7-25-55-49(37)61)34-28-35(47-59-38-17-8-26-56-50(38)62(47)41-20-2-11-32-14-5-23-53-44(32)41)30-36(29-34)48-60-39-18-9-27-57-51(39)63(48)42-21-3-12-33-15-6-24-54-45(33)42;1-30-12-9-15-36(24-30)55-42-21-6-3-18-39(42)52-45(55)32-26-33(46-53-40-19-4-7-22-43(40)56(46)37-16-10-13-31(2)25-37)28-34(27-32)47-54-41-20-5-8-23-44(41)57(47)38-17-11-14-35(29-38)48(49,50)51;1-47-32-10-4-13-35(25-32)56-41(53-38-16-7-19-50-44(38)56)30-22-29(40-52-37-15-6-18-49-43(37)55(40)34-12-3-9-28(21-34)27-46)23-31(24-30)42-54-39-17-8-20-51-45(39)57(42)36-14-5-11-33(26-36)48-2;1-4-13-31(14-5-1)49-37(46-34-19-10-22-43-40(34)49)28-25-29(38-47-35-20-11-23-44-41(35)50(38)32-15-6-2-7-16-32)27-30(26-28)39-48-36-21-12-24-45-42(36)51(39)33-17-8-3-9-18-33;1-3-9-29(10-4-1)41-33(39-31-13-7-23-37-35(31)41)27-19-15-25(16-20-27)26-17-21-28(22-18-26)34-40-32-14-8-24-38-36(32)42(34)30-11-5-2-6-12-30;1-3-9-23(10-4-1)35-25-13-7-19-31-27(25)33-29(35)21-15-17-22(18-16-21)30-34-28-26(14-8-20-32-28)36(30)24-11-5-2-6-12-24/h1-30H;3-29H,1-2H3;3-26H;1-27H;1-24H;1-20H.

What are the key properties of 3-[2-[3,5-bis[3-(3-isocyanophenyl)imidazo[4,5-b]pyridin-2-yl]phenyl]imidazo[4,5-b]pyridin-3-yl]benzonitrile;2-[3,5-bis(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]-3-phenylimidazo[4,5-b]pyridine;8-[2-[3,5-bis(3-quinolin-8-ylimidazo[4,5-b]pyridin-2-yl)phenyl]imidazo[4,5-b]pyridin-3-yl]quinoline;1-(3-methylphenyl)-2-[3-[1-(3-methylphenyl)benzimidazol-2-yl]-5-[1-[3-(trifluoromethyl)phenyl]benzimidazol-2-yl]phenyl]benzimidazole;1-phenyl-2-[4-(1-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]imidazo[4,5-b]pyridine;3-phenyl-2-[4-[4-(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]phenyl]imidazo[4,5-b]pyridine?

3-[2-[3,5-bis[3-(3-isocyanophenyl)imidazo[4,5-b]pyridin-2-yl]phenyl]imidazo[4,5-b]pyridin-3-yl]benzonitrile;2-[3,5-bis(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]-3-phenylimidazo[4,5-b]pyridine;8-[2-[3,5-bis(3-quinolin-8-ylimidazo[4,5-b]pyridin-2-yl)phenyl]imidazo[4,5-b]pyridin-3-yl]quinoline;1-(3-methylphenyl)-2-[3-[1-(3-methylphenyl)benzimidazol-2-yl]-5-[1-[3-(trifluoromethyl)phenyl]benzimidazol-2-yl]phenyl]benzimidazole;1-phenyl-2-[4-(1-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]imidazo[4,5-b]pyridine;3-phenyl-2-[4-[4-(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]phenyl]imidazo[4,5-b]pyridine has a molecular weight of 3957.39 g/mol, XLogP of 56.27, 33 rotatable bonds, 0 hydrogen bond donors, and 49 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2-[3,5-bis[3-(3-isocyanophenyl)imidazo[4,5-b]pyridin-2-yl]phenyl]imidazo[4,5-b]pyridin-3-yl]benzonitrile;2-[3,5-bis(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]-3-phenylimidazo[4,5-b]pyridine;8-[2-[3,5-bis(3-quinolin-8-ylimidazo[4,5-b]pyridin-2-yl)phenyl]imidazo[4,5-b]pyridin-3-yl]quinoline;1-(3-methylphenyl)-2-[3-[1-(3-methylphenyl)benzimidazol-2-yl]-5-[1-[3-(trifluoromethyl)phenyl]benzimidazol-2-yl]phenyl]benzimidazole;1-phenyl-2-[4-(1-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]imidazo[4,5-b]pyridine;3-phenyl-2-[4-[4-(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]phenyl]imidazo[4,5-b]pyridine is sourced from PubChem (CID 157267190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).