5-[[6-chloro-5-(2-phenylethynyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2-methylbenzoic acid;5-[(6-chloro-5-phenylmethoxy-1H-imidazo[4,5-b]pyridin-2-yl)oxy]-2-methylbenzoic acid;2-methyl-5-[(3-methyl-2,6-dioxo-1-phenyl-7H-purin-8-yl)oxy]benzoic acid;2-methyl-5-[[6-(4-morpholin-4-ylphenyl)-3H-imidazo[4,5-c]pyridin-2-yl]oxy]benzoic acid;2-methyl-5-[(4-oxo-5-phenyl-1H-imidazo[4,5-c]pyridin-2-yl)oxy]benzoic acid;2-methyl-5-[(6-oxo-1-phenyl-7H-purin-8-yl)oxy]benzoic acid;2-methyl-5-[(5-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl)oxy]benzoic acid

C146H116Cl2N24O27 — CID 159338052

About 5-[[6-chloro-5-(2-phenylethynyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2-methylbenzoic acid;5-[(6-chloro-5-phenylmethoxy-1H-imidazo[4,5-b]pyridin-2-yl)oxy]-2-methylbenzoic acid;2-methyl-5-[(3-methyl-2,6-dioxo-1-phenyl-7H-purin-8-yl)oxy]benzoic acid;2-methyl-5-[[6-(4-morpholin-4-ylphenyl)-3H-imidazo[4,5-c]pyridin-2-yl]oxy]benzoic acid;2-methyl-5-[(4-oxo-5-phenyl-1H-imidazo[4,5-c]pyridin-2-yl)oxy]benzoic acid;2-methyl-5-[(6-oxo-1-phenyl-7H-purin-8-yl)oxy]benzoic acid;2-methyl-5-[(5-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl)oxy]benzoic acid

5-[[6-chloro-5-(2-phenylethynyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2-methylbenzoic acid;5-[(6-chloro-5-phenylmethoxy-1H-imidazo[4,5-b]pyridin-2-yl)oxy]-2-methylbenzoic acid;2-methyl-5-[(3-methyl-2,6-dioxo-1-phenyl-7H-purin-8-yl)oxy]benzoic acid;2-methyl-5-[[6-(4-morpholin-4-ylphenyl)-3H-imidazo[4,5-c]pyridin-2-yl]oxy]benzoic acid;2-methyl-5-[(4-oxo-5-phenyl-1H-imidazo[4,5-c]pyridin-2-yl)oxy]benzoic acid;2-methyl-5-[(6-oxo-1-phenyl-7H-purin-8-yl)oxy]benzoic acid;2-methyl-5-[(5-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl)oxy]benzoic acid (PubChem CID 159338052) has the molecular formula C146H116Cl2N24O27 and a molecular weight of 2709.58 g/mol. Its IUPAC name is 5-[[6-chloro-5-(2-phenylethynyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2-methylbenzoic acid;5-[(6-chloro-5-phenylmethoxy-1H-imidazo[4,5-b]pyridin-2-yl)oxy]-2-methylbenzoic acid;2-methyl-5-[(3-methyl-2,6-dioxo-1-phenyl-7H-purin-8-yl)oxy]benzoic acid;2-methyl-5-[[6-(4-morpholin-4-ylphenyl)-3H-imidazo[4,5-c]pyridin-2-yl]oxy]benzoic acid;2-methyl-5-[(4-oxo-5-phenyl-1H-imidazo[4,5-c]pyridin-2-yl)oxy]benzoic acid;2-methyl-5-[(6-oxo-1-phenyl-7H-purin-8-yl)oxy]benzoic acid;2-methyl-5-[(5-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl)oxy]benzoic acid.

Molecular Properties

• Compound Name: 5-[[6-chloro-5-(2-phenylethynyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2-methylbenzoic acid;5-[(6-chloro-5-phenylmethoxy-1H-imidazo[4,5-b]pyridin-2-yl)oxy]-2-methylbenzoic acid;2-methyl-5-[(3-methyl-2,6-dioxo-1-phenyl-7H-purin-8-yl)oxy]benzoic acid;2-methyl-5-[[6-(4-morpholin-4-ylphenyl)-3H-imidazo[4,5-c]pyridin-2-yl]oxy]benzoic acid;2-methyl-5-[(4-oxo-5-phenyl-1H-imidazo[4,5-c]pyridin-2-yl)oxy]benzoic acid;2-methyl-5-[(6-oxo-1-phenyl-7H-purin-8-yl)oxy]benzoic acid;2-methyl-5-[(5-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl)oxy]benzoic acid
• PubChem CID: 159338052
• Molecular Formula: C146H116Cl2N24O27
• Molecular Weight: 2709.58 g/mol
• Exact Mass: 2706.78
• IUPAC Name: 5-[[6-chloro-5-(2-phenylethynyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2-methylbenzoic acid;5-[(6-chloro-5-phenylmethoxy-1H-imidazo[4,5-b]pyridin-2-yl)oxy]-2-methylbenzoic acid;2-methyl-5-[(3-methyl-2,6-dioxo-1-phenyl-7H-purin-8-yl)oxy]benzoic acid;2-methyl-5-[[6-(4-morpholin-4-ylphenyl)-3H-imidazo[4,5-c]pyridin-2-yl]oxy]benzoic acid;2-methyl-5-[(4-oxo-5-phenyl-1H-imidazo[4,5-c]pyridin-2-yl)oxy]benzoic acid;2-methyl-5-[(6-oxo-1-phenyl-7H-purin-8-yl)oxy]benzoic acid;2-methyl-5-[(5-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl)oxy]benzoic acid
• SMILES: Cc1ccc(Oc2nc3c(=O)n(-c4ccccc4)ccc3[nH]2)cc1C(=O)O.Cc1ccc(Oc2nc3c([nH]2)CN(c2ccccc2)CC3)cc1C(=O)O.Cc1ccc(Oc2nc3c([nH]2)c(=O)n(-c2ccccc2)c(=O)n3C)cc1C(=O)O.Cc1ccc(Oc2nc3cc(-c4ccc(N5CCOCC5)cc4)ncc3[nH]2)cc1C(=O)O.Cc1ccc(Oc2nc3nc(C#Cc4ccccc4)c(Cl)cc3[nH]2)cc1C(=O)O.Cc1ccc(Oc2nc3nc(OCc4ccccc4)c(Cl)cc3[nH]2)cc1C(=O)O.Cc1ccc(Oc2nc3ncn(-c4ccccc4)c(=O)c3[nH]2)cc1C(=O)O
• InChI: InChI=1S/C24H22N4O4.C22H14ClN3O3.C21H16ClN3O4.C20H16N4O5.C20H15N3O4.C20H19N3O3.C19H14N4O4/c1-15-2-7-18(12-19(15)23(29)30)32-24-26-21-13-20(25-14-22(21)27-24)16-3-5-17(6-4-16)28-8-10-31-11-9-28;1-13-7-9-15(11-16(13)21(27)28)29-22-25-19-12-17(23)18(24-20(19)26-22)10-8-14-5-3-2-4-6-14;1-12-7-8-14(9-15(12)20(26)27)29-21-23-17-10-16(22)19(24-18(17)25-21)28-11-13-5-3-2-4-6-13;1-11-8-9-13(10-14(11)18(26)27)29-19-21-15-16(22-19)23(2)20(28)24(17(15)25)12-6-4-3-5-7-12;1-12-7-8-14(11-15(12)19(25)26)27-20-21-16-9-10-23(18(24)17(16)22-20)13-5-3-2-4-6-13;1-13-7-8-15(11-16(13)19(24)25)26-20-21-17-9-10-23(12-18(17)22-20)14-5-3-2-4-6-14;1-11-7-8-13(9-14(11)18(25)26)27-19-21-15-16(22-19)20-10-23(17(15)24)12-5-3-2-4-6-12/h2-7,12-14H,8-11H2,1H3,(H,26,27)(H,29,30);2-7,9,11-12H,1H3,(H,27,28)(H,24,25,26);2-10H,11H2,1H3,(H,26,27)(H,23,24,25);3-10H,1-2H3,(H,21,22)(H,26,27);2-11H,1H3,(H,21,22)(H,25,26);2-8,11H,9-10,12H2,1H3,(H,21,22)(H,24,25);2-10H,1H3,(H,21,22)(H,25,26)
• InChIKey: LFUHWNZLAIVTCP-UHFFFAOYSA-N
• XLogP: 26.46
• TPSA: 690.97 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 37
• Rotatable Bonds: 30
• Heavy Atoms: 199
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2709.58
LogP ≤ 5	26.46
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	37

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-[[6-chloro-5-(2-phenylethynyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2-methylbenzoic acid;5-[(6-chloro-5-phenylmethoxy-1H-imidazo[4,5-b]pyridin-2-yl)oxy]-2-methylbenzoic acid;2-methyl-5-[(3-methyl-2,6-dioxo-1-phenyl-7H-purin-8-yl)oxy]benzoic acid;2-methyl-5-[[6-(4-morpholin-4-ylphenyl)-3H-imidazo[4,5-c]pyridin-2-yl]oxy]benzoic acid;2-methyl-5-[(4-oxo-5-phenyl-1H-imidazo[4,5-c]pyridin-2-yl)oxy]benzoic acid;2-methyl-5-[(6-oxo-1-phenyl-7H-purin-8-yl)oxy]benzoic acid;2-methyl-5-[(5-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl)oxy]benzoic acid?

The IUPAC name of 5-[[6-chloro-5-(2-phenylethynyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2-methylbenzoic acid;5-[(6-chloro-5-phenylmethoxy-1H-imidazo[4,5-b]pyridin-2-yl)oxy]-2-methylbenzoic acid;2-methyl-5-[(3-methyl-2,6-dioxo-1-phenyl-7H-purin-8-yl)oxy]benzoic acid;2-methyl-5-[[6-(4-morpholin-4-ylphenyl)-3H-imidazo[4,5-c]pyridin-2-yl]oxy]benzoic acid;2-methyl-5-[(4-oxo-5-phenyl-1H-imidazo[4,5-c]pyridin-2-yl)oxy]benzoic acid;2-methyl-5-[(6-oxo-1-phenyl-7H-purin-8-yl)oxy]benzoic acid;2-methyl-5-[(5-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl)oxy]benzoic acid (CID 159338052) is 5-[[6-chloro-5-(2-phenylethynyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2-methylbenzoic acid;5-[(6-chloro-5-phenylmethoxy-1H-imidazo[4,5-b]pyridin-2-yl)oxy]-2-methylbenzoic acid;2-methyl-5-[(3-methyl-2,6-dioxo-1-phenyl-7H-purin-8-yl)oxy]benzoic acid;2-methyl-5-[[6-(4-morpholin-4-ylphenyl)-3H-imidazo[4,5-c]pyridin-2-yl]oxy]benzoic acid;2-methyl-5-[(4-oxo-5-phenyl-1H-imidazo[4,5-c]pyridin-2-yl)oxy]benzoic acid;2-methyl-5-[(6-oxo-1-phenyl-7H-purin-8-yl)oxy]benzoic acid;2-methyl-5-[(5-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl)oxy]benzoic acid.

What is the SMILES notation for 5-[[6-chloro-5-(2-phenylethynyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2-methylbenzoic acid;5-[(6-chloro-5-phenylmethoxy-1H-imidazo[4,5-b]pyridin-2-yl)oxy]-2-methylbenzoic acid;2-methyl-5-[(3-methyl-2,6-dioxo-1-phenyl-7H-purin-8-yl)oxy]benzoic acid;2-methyl-5-[[6-(4-morpholin-4-ylphenyl)-3H-imidazo[4,5-c]pyridin-2-yl]oxy]benzoic acid;2-methyl-5-[(4-oxo-5-phenyl-1H-imidazo[4,5-c]pyridin-2-yl)oxy]benzoic acid;2-methyl-5-[(6-oxo-1-phenyl-7H-purin-8-yl)oxy]benzoic acid;2-methyl-5-[(5-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl)oxy]benzoic acid?

The canonical SMILES for 5-[[6-chloro-5-(2-phenylethynyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2-methylbenzoic acid;5-[(6-chloro-5-phenylmethoxy-1H-imidazo[4,5-b]pyridin-2-yl)oxy]-2-methylbenzoic acid;2-methyl-5-[(3-methyl-2,6-dioxo-1-phenyl-7H-purin-8-yl)oxy]benzoic acid;2-methyl-5-[[6-(4-morpholin-4-ylphenyl)-3H-imidazo[4,5-c]pyridin-2-yl]oxy]benzoic acid;2-methyl-5-[(4-oxo-5-phenyl-1H-imidazo[4,5-c]pyridin-2-yl)oxy]benzoic acid;2-methyl-5-[(6-oxo-1-phenyl-7H-purin-8-yl)oxy]benzoic acid;2-methyl-5-[(5-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl)oxy]benzoic acid is Cc1ccc(Oc2nc3c(=O)n(-c4ccccc4)ccc3[nH]2)cc1C(=O)O.Cc1ccc(Oc2nc3c([nH]2)CN(c2ccccc2)CC3)cc1C(=O)O.Cc1ccc(Oc2nc3c([nH]2)c(=O)n(-c2ccccc2)c(=O)n3C)cc1C(=O)O.Cc1ccc(Oc2nc3cc(-c4ccc(N5CCOCC5)cc4)ncc3[nH]2)cc1C(=O)O.Cc1ccc(Oc2nc3nc(C#Cc4ccccc4)c(Cl)cc3[nH]2)cc1C(=O)O.Cc1ccc(Oc2nc3nc(OCc4ccccc4)c(Cl)cc3[nH]2)cc1C(=O)O.Cc1ccc(Oc2nc3ncn(-c4ccccc4)c(=O)c3[nH]2)cc1C(=O)O.

What is the InChIKey of 5-[[6-chloro-5-(2-phenylethynyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2-methylbenzoic acid;5-[(6-chloro-5-phenylmethoxy-1H-imidazo[4,5-b]pyridin-2-yl)oxy]-2-methylbenzoic acid;2-methyl-5-[(3-methyl-2,6-dioxo-1-phenyl-7H-purin-8-yl)oxy]benzoic acid;2-methyl-5-[[6-(4-morpholin-4-ylphenyl)-3H-imidazo[4,5-c]pyridin-2-yl]oxy]benzoic acid;2-methyl-5-[(4-oxo-5-phenyl-1H-imidazo[4,5-c]pyridin-2-yl)oxy]benzoic acid;2-methyl-5-[(6-oxo-1-phenyl-7H-purin-8-yl)oxy]benzoic acid;2-methyl-5-[(5-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl)oxy]benzoic acid?

The InChIKey is LFUHWNZLAIVTCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O4.C22H14ClN3O3.C21H16ClN3O4.C20H16N4O5.C20H15N3O4.C20H19N3O3.C19H14N4O4/c1-15-2-7-18(12-19(15)23(29)30)32-24-26-21-13-20(25-14-22(21)27-24)16-3-5-17(6-4-16)28-8-10-31-11-9-28;1-13-7-9-15(11-16(13)21(27)28)29-22-25-19-12-17(23)18(24-20(19)26-22)10-8-14-5-3-2-4-6-14;1-12-7-8-14(9-15(12)20(26)27)29-21-23-17-10-16(22)19(24-18(17)25-21)28-11-13-5-3-2-4-6-13;1-11-8-9-13(10-14(11)18(26)27)29-19-21-15-16(22-19)23(2)20(28)24(17(15)25)12-6-4-3-5-7-12;1-12-7-8-14(11-15(12)19(25)26)27-20-21-16-9-10-23(18(24)17(16)22-20)13-5-3-2-4-6-13;1-13-7-8-15(11-16(13)19(24)25)26-20-21-17-9-10-23(12-18(17)22-20)14-5-3-2-4-6-14;1-11-7-8-13(9-14(11)18(25)26)27-19-21-15-16(22-19)20-10-23(17(15)24)12-5-3-2-4-6-12/h2-7,12-14H,8-11H2,1H3,(H,26,27)(H,29,30);2-7,9,11-12H,1H3,(H,27,28)(H,24,25,26);2-10H,11H2,1H3,(H,26,27)(H,23,24,25);3-10H,1-2H3,(H,21,22)(H,26,27);2-11H,1H3,(H,21,22)(H,25,26);2-8,11H,9-10,12H2,1H3,(H,21,22)(H,24,25);2-10H,1H3,(H,21,22)(H,25,26).

What are the key properties of 5-[[6-chloro-5-(2-phenylethynyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2-methylbenzoic acid;5-[(6-chloro-5-phenylmethoxy-1H-imidazo[4,5-b]pyridin-2-yl)oxy]-2-methylbenzoic acid;2-methyl-5-[(3-methyl-2,6-dioxo-1-phenyl-7H-purin-8-yl)oxy]benzoic acid;2-methyl-5-[[6-(4-morpholin-4-ylphenyl)-3H-imidazo[4,5-c]pyridin-2-yl]oxy]benzoic acid;2-methyl-5-[(4-oxo-5-phenyl-1H-imidazo[4,5-c]pyridin-2-yl)oxy]benzoic acid;2-methyl-5-[(6-oxo-1-phenyl-7H-purin-8-yl)oxy]benzoic acid;2-methyl-5-[(5-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl)oxy]benzoic acid?

5-[[6-chloro-5-(2-phenylethynyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2-methylbenzoic acid;5-[(6-chloro-5-phenylmethoxy-1H-imidazo[4,5-b]pyridin-2-yl)oxy]-2-methylbenzoic acid;2-methyl-5-[(3-methyl-2,6-dioxo-1-phenyl-7H-purin-8-yl)oxy]benzoic acid;2-methyl-5-[[6-(4-morpholin-4-ylphenyl)-3H-imidazo[4,5-c]pyridin-2-yl]oxy]benzoic acid;2-methyl-5-[(4-oxo-5-phenyl-1H-imidazo[4,5-c]pyridin-2-yl)oxy]benzoic acid;2-methyl-5-[(6-oxo-1-phenyl-7H-purin-8-yl)oxy]benzoic acid;2-methyl-5-[(5-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl)oxy]benzoic acid has a molecular weight of 2709.58 g/mol, XLogP of 26.46, 30 rotatable bonds, 14 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[[6-chloro-5-(2-phenylethynyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2-methylbenzoic acid;5-[(6-chloro-5-phenylmethoxy-1H-imidazo[4,5-b]pyridin-2-yl)oxy]-2-methylbenzoic acid;2-methyl-5-[(3-methyl-2,6-dioxo-1-phenyl-7H-purin-8-yl)oxy]benzoic acid;2-methyl-5-[[6-(4-morpholin-4-ylphenyl)-3H-imidazo[4,5-c]pyridin-2-yl]oxy]benzoic acid;2-methyl-5-[(4-oxo-5-phenyl-1H-imidazo[4,5-c]pyridin-2-yl)oxy]benzoic acid;2-methyl-5-[(6-oxo-1-phenyl-7H-purin-8-yl)oxy]benzoic acid;2-methyl-5-[(5-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl)oxy]benzoic acid is sourced from PubChem (CID 159338052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).