5-[(5-benzyl-6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)oxy]-2-methylbenzoic acid;5-[[6-chloro-5-(2-phenylethyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2-methylbenzoic acid;2-methyl-5-[[5-methyl-6-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]benzoic acid

C68H58Cl2N10O10 — CID 159253088

IUPAC5-[(5-benzyl-6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)oxy]-2-methylbenzoic acid;5-[[6-chloro-5-(2-phenylethyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2-methylbenzoic acid;2-methyl-5-[[5-methyl-6-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]benzoic acid
SMILESCc1ccc(Oc2nc3nc(C)c(-c4ccc(N5CCOCC5)cc4)cc3[nH]2)cc1C(=O)O.Cc1ccc(Oc2nc3nc(CCc4ccccc4)c(Cl)cc3[nH]2)cc1C(=O)O.Cc1ccc(Oc2nc3nc(Cc4ccccc4)c(Cl)cc3[nH]2)cc1C(=O)O
InChIInChI=1S/C25H24N4O4.C22H18ClN3O3.C21H16ClN3O3/c1-15-3-8-19(13-20(15)24(30)31)33-25-27-22-14-21(16(2)26-23(22)28-25)17-4-6-18(7-5-17)29-9-11-32-12-10-29;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(10-15(12)20(26)27)28-21-24-18-11-16(22)17(23-19(18)25-21)9-13-5-3-2-4-6-13/h3-8,13-14H,9-12H2,1-2H3,(H,30,31)(H,26,27,28);2-7,9,11-12H,8,10H2,1H3,(H,27,28)(H,24,25,26);2-8,10-11H,9H2,1H3,(H,26,27)(H,23,24,25)
InChIKeyKVNXOUGUYJGZAS-UHFFFAOYSA-N
MW1246.18 g/mol
LogP14.77
Rot. Bonds16

About 5-[(5-benzyl-6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)oxy]-2-methylbenzoic acid;5-[[6-chloro-5-(2-phenylethyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2-methylbenzoic acid;2-methyl-5-[[5-methyl-6-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]benzoic acid

5-[(5-benzyl-6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)oxy]-2-methylbenzoic acid;5-[[6-chloro-5-(2-phenylethyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2-methylbenzoic acid;2-methyl-5-[[5-methyl-6-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]benzoic acid (PubChem CID 159253088) has the molecular formula C68H58Cl2N10O10 and a molecular weight of 1246.18 g/mol. Its IUPAC name is 5-[(5-benzyl-6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)oxy]-2-methylbenzoic acid;5-[[6-chloro-5-(2-phenylethyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2-methylbenzoic acid;2-methyl-5-[[5-methyl-6-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]benzoic acid.

Molecular Properties

Compound Name5-[(5-benzyl-6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)oxy]-2-methylbenzoic acid;5-[[6-chloro-5-(2-phenylethyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2-methylbenzoic acid;2-methyl-5-[[5-methyl-6-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]benzoic acid
PubChem CID159253088
Molecular FormulaC68H58Cl2N10O10
Molecular Weight1246.18 g/mol
Exact Mass1244.37
IUPAC Name5-[(5-benzyl-6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)oxy]-2-methylbenzoic acid;5-[[6-chloro-5-(2-phenylethyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2-methylbenzoic acid;2-methyl-5-[[5-methyl-6-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]benzoic acid
SMILESCc1ccc(Oc2nc3nc(C)c(-c4ccc(N5CCOCC5)cc4)cc3[nH]2)cc1C(=O)O.Cc1ccc(Oc2nc3nc(CCc4ccccc4)c(Cl)cc3[nH]2)cc1C(=O)O.Cc1ccc(Oc2nc3nc(Cc4ccccc4)c(Cl)cc3[nH]2)cc1C(=O)O
InChIInChI=1S/C25H24N4O4.C22H18ClN3O3.C21H16ClN3O3/c1-15-3-8-19(13-20(15)24(30)31)33-25-27-22-14-21(16(2)26-23(22)28-25)17-4-6-18(7-5-17)29-9-11-32-12-10-29;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(10-15(12)20(26)27)28-21-24-18-11-16(22)17(23-19(18)25-21)9-13-5-3-2-4-6-13/h3-8,13-14H,9-12H2,1-2H3,(H,30,31)(H,26,27,28);2-7,9,11-12H,8,10H2,1H3,(H,27,28)(H,24,25,26);2-8,10-11H,9H2,1H3,(H,26,27)(H,23,24,25)
InChIKeyKVNXOUGUYJGZAS-UHFFFAOYSA-N
XLogP14.77
TPSA276.77 Ų
H-Bond Donors6
H-Bond Acceptors14
Rotatable Bonds16
Heavy Atoms90
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001246.18
LogP ≤ 514.77
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1014

Analyze 5-[(5-benzyl-6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)oxy]-2-methylbenzoic acid;5-[[6-chloro-5-(2-phenylethyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2-methylbenzoic acid;2-methyl-5-[[5-methyl-6-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]benzoic acid with MolForge

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Related Compounds

5-{[6-chloro-5-(2'-hydroxy[1,1'-biphenyl]-4-yl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy}-2-methylbenzoic acid
CID 135567398
5-[[6-chloro-5-(4-pyrrolidin-1-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2-methylbenzoic acid
CID 60171744
5-({5-[(4'R)-4'-acetamido-2',3',4',5'-tetrahydro[1,1'-biphenyl]-4-yl]-6-chloro-1H-imidazo[4,5-b]pyridin-2-yl}oxy)-2-methylbenzoic acid
CID 163410027
5-[[6-chloro-5-[4-(4-fluorophenoxy)piperidin-1-yl]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2-methylbenzoic acid
CID 89696387
5-[[6-chloro-5-(3-fluoro-4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2-methylbenzoic acid
CID 89696486
5-[[6-chloro-5-[4-(3,3,4,4-tetrafluoropyrrolidin-1-yl)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2-methylbenzoic acid
CID 89696530
5-[[6-chloro-5-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2-fluorobenzoic acid
CID 89696531
5-[[6-chloro-5-(3-fluoro-4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2-methylbenzoic acid
CID 89696540
5-[[6-chloro-5-[4-(4,4-difluoropiperidin-1-yl)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2-methylbenzoic acid
CID 89696620
2-methyl-5-[[5-(4-morpholin-4-ylphenyl)-6-(trifluoromethyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]benzoic acid
CID 89696635
5-[[6-chloro-5-(4-piperidin-1-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2-(trifluoromethyl)benzoic acid
CID 89696662
2-[4-[[6-chloro-5-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2-fluorophenyl]-2-methylpropanoic acid
CID 89696722

Frequently Asked Questions

What is the IUPAC name of 5-[(5-benzyl-6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)oxy]-2-methylbenzoic acid;5-[[6-chloro-5-(2-phenylethyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2-methylbenzoic acid;2-methyl-5-[[5-methyl-6-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]benzoic acid?
The IUPAC name of 5-[(5-benzyl-6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)oxy]-2-methylbenzoic acid;5-[[6-chloro-5-(2-phenylethyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2-methylbenzoic acid;2-methyl-5-[[5-methyl-6-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]benzoic acid (CID 159253088) is 5-[(5-benzyl-6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)oxy]-2-methylbenzoic acid;5-[[6-chloro-5-(2-phenylethyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2-methylbenzoic acid;2-methyl-5-[[5-methyl-6-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]benzoic acid.
What is the SMILES notation for 5-[(5-benzyl-6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)oxy]-2-methylbenzoic acid;5-[[6-chloro-5-(2-phenylethyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2-methylbenzoic acid;2-methyl-5-[[5-methyl-6-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]benzoic acid?
The canonical SMILES for 5-[(5-benzyl-6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)oxy]-2-methylbenzoic acid;5-[[6-chloro-5-(2-phenylethyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2-methylbenzoic acid;2-methyl-5-[[5-methyl-6-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]benzoic acid is Cc1ccc(Oc2nc3nc(C)c(-c4ccc(N5CCOCC5)cc4)cc3[nH]2)cc1C(=O)O.Cc1ccc(Oc2nc3nc(CCc4ccccc4)c(Cl)cc3[nH]2)cc1C(=O)O.Cc1ccc(Oc2nc3nc(Cc4ccccc4)c(Cl)cc3[nH]2)cc1C(=O)O.
What is the InChIKey of 5-[(5-benzyl-6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)oxy]-2-methylbenzoic acid;5-[[6-chloro-5-(2-phenylethyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2-methylbenzoic acid;2-methyl-5-[[5-methyl-6-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]benzoic acid?
The InChIKey is KVNXOUGUYJGZAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O4.C22H18ClN3O3.C21H16ClN3O3/c1-15-3-8-19(13-20(15)24(30)31)33-25-27-22-14-21(16(2)26-23(22)28-25)17-4-6-18(7-5-17)29-9-11-32-12-10-29;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(10-15(12)20(26)27)28-21-24-18-11-16(22)17(23-19(18)25-21)9-13-5-3-2-4-6-13/h3-8,13-14H,9-12H2,1-2H3,(H,30,31)(H,26,27,28);2-7,9,11-12H,8,10H2,1H3,(H,27,28)(H,24,25,26);2-8,10-11H,9H2,1H3,(H,26,27)(H,23,24,25).
What are the key properties of 5-[(5-benzyl-6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)oxy]-2-methylbenzoic acid;5-[[6-chloro-5-(2-phenylethyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2-methylbenzoic acid;2-methyl-5-[[5-methyl-6-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]benzoic acid?
5-[(5-benzyl-6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)oxy]-2-methylbenzoic acid;5-[[6-chloro-5-(2-phenylethyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2-methylbenzoic acid;2-methyl-5-[[5-methyl-6-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]benzoic acid has a molecular weight of 1246.18 g/mol, XLogP of 14.77, 16 rotatable bonds, 6 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-benzyl-6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)oxy]-2-methylbenzoic acid;5-[[6-chloro-5-(2-phenylethyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2-methylbenzoic acid;2-methyl-5-[[5-methyl-6-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]benzoic acid is sourced from PubChem (CID 159253088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).