5-[[6-chloro-5-[4-(5-chloro-2-hydroxyphenyl)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2-methylbenzoic acid

C26H17Cl2N3O4 — CID 136634853

IUPAC5-[[6-chloro-5-[4-(5-chloro-2-hydroxyphenyl)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2-methylbenzoic acid
SMILESCc1ccc(Oc2nc3nc(-c4ccc(-c5cc(Cl)ccc5O)cc4)c(Cl)cc3[nH]2)cc1C(=O)O
InChIInChI=1S/C26H17Cl2N3O4/c1-13-2-8-17(11-18(13)25(33)34)35-26-29-21-12-20(28)23(30-24(21)31-26)15-5-3-14(4-6-15)19-10-16(27)7-9-22(19)32/h2-12,32H,1H3,(H,33,34)(H,29,30,31)
InChIKeyPKAIYLHNDSBPMJ-UHFFFAOYSA-N
MW506.35 g/mol
LogP7.10
Rot. Bonds5

About 5-[[6-chloro-5-[4-(5-chloro-2-hydroxyphenyl)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2-methylbenzoic acid

5-[[6-chloro-5-[4-(5-chloro-2-hydroxyphenyl)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2-methylbenzoic acid (PubChem CID 136634853) has the molecular formula C26H17Cl2N3O4 and a molecular weight of 506.35 g/mol. Its IUPAC name is 5-[[6-chloro-5-[4-(5-chloro-2-hydroxyphenyl)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2-methylbenzoic acid.

Molecular Properties

Compound Name5-[[6-chloro-5-[4-(5-chloro-2-hydroxyphenyl)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2-methylbenzoic acid
PubChem CID136634853
Molecular FormulaC26H17Cl2N3O4
Molecular Weight506.35 g/mol
Exact Mass505.06
IUPAC Name5-[[6-chloro-5-[4-(5-chloro-2-hydroxyphenyl)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2-methylbenzoic acid
SMILESCc1ccc(Oc2nc3nc(-c4ccc(-c5cc(Cl)ccc5O)cc4)c(Cl)cc3[nH]2)cc1C(=O)O
InChIInChI=1S/C26H17Cl2N3O4/c1-13-2-8-17(11-18(13)25(33)34)35-26-29-21-12-20(28)23(30-24(21)31-26)15-5-3-14(4-6-15)19-10-16(27)7-9-22(19)32/h2-12,32H,1H3,(H,33,34)(H,29,30,31)
InChIKeyPKAIYLHNDSBPMJ-UHFFFAOYSA-N
XLogP7.10
TPSA108.33 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.35
LogP ≤ 57.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 5-[[6-chloro-5-[4-(5-chloro-2-hydroxyphenyl)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2-methylbenzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[[6-chloro-5-[4-(4-methoxyphenyl)phenyl]-1H-benzimidazol-2-yl]oxy]-2-methylbenzoic acid
CID 59267460
5-[[6-chloro-5-[4-(2-methylprop-1-enyl)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2-methyl-N-oxobenzamide
CID 118965065
1-[4-[2-(3-carboxy-4-methylphenoxy)-6-chloro-1H-benzimidazol-5-yl]phenyl]ethylazanium
CID 59267709
N-[2-[4-[[6-chloro-5-[4-(2-hydroxyphenyl)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]phenyl]propan-2-yl]acetamide
CID 136634854
5-[[6-(fluoromethyl)-5-[4-(2-methoxy-3-pyridinyl)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2-methylbenzoic acid
CID 118965110
5-[[6-chloro-5-(2-oxo-1H-quinolin-6-yl)-1H-benzimidazol-2-yl]oxy]-2-methylbenzoic acid
CID 59267744
5-[[6-chloro-5-(1-methylindol-6-yl)-1H-benzimidazol-2-yl]oxy]-2-methylbenzoic acid
CID 59267575
5-[[6-fluoro-5-[4-(2-hydroxyphenyl)phenyl]-1H-benzimidazol-2-yl]oxy]-N-hydroxy-2-methylbenzamide;5-[[6-fluoro-5-[4-(2-hydroxyphenyl)phenyl]-1H-benzimidazol-2-yl]oxy]-2-methylbenzoic acid
CID 162184758
5-[[6-chloro-5-[4-(1,3-thiazol-4-yl)phenyl]-1H-benzimidazol-2-yl]oxy]-2-methylbenzoic acid
CID 70903163
5-[(6-chloro-5-quinolin-3-yl-1H-benzimidazol-2-yl)oxy]-2-methylbenzoic acid
CID 59267494
5-[2-(3-carboxy-4-methylphenoxy)-6-chloro-1H-benzimidazol-5-yl]-1-methylindole-2-carboxylic acid
CID 59267838
2-[4-[2-(3-carboxy-4-methylphenoxy)-6-chloro-1H-benzimidazol-5-yl]phenyl]propan-2-ylazanium;2,2,2-trifluoroacetate
CID 87533447

Frequently Asked Questions

What is the IUPAC name of 5-[[6-chloro-5-[4-(5-chloro-2-hydroxyphenyl)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2-methylbenzoic acid?
The IUPAC name of 5-[[6-chloro-5-[4-(5-chloro-2-hydroxyphenyl)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2-methylbenzoic acid (CID 136634853) is 5-[[6-chloro-5-[4-(5-chloro-2-hydroxyphenyl)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2-methylbenzoic acid.
What is the SMILES notation for 5-[[6-chloro-5-[4-(5-chloro-2-hydroxyphenyl)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2-methylbenzoic acid?
The canonical SMILES for 5-[[6-chloro-5-[4-(5-chloro-2-hydroxyphenyl)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2-methylbenzoic acid is Cc1ccc(Oc2nc3nc(-c4ccc(-c5cc(Cl)ccc5O)cc4)c(Cl)cc3[nH]2)cc1C(=O)O.
What is the InChIKey of 5-[[6-chloro-5-[4-(5-chloro-2-hydroxyphenyl)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2-methylbenzoic acid?
The InChIKey is PKAIYLHNDSBPMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H17Cl2N3O4/c1-13-2-8-17(11-18(13)25(33)34)35-26-29-21-12-20(28)23(30-24(21)31-26)15-5-3-14(4-6-15)19-10-16(27)7-9-22(19)32/h2-12,32H,1H3,(H,33,34)(H,29,30,31).
What are the key properties of 5-[[6-chloro-5-[4-(5-chloro-2-hydroxyphenyl)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2-methylbenzoic acid?
5-[[6-chloro-5-[4-(5-chloro-2-hydroxyphenyl)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2-methylbenzoic acid has a molecular weight of 506.35 g/mol, XLogP of 7.10, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[6-chloro-5-[4-(5-chloro-2-hydroxyphenyl)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2-methylbenzoic acid is sourced from PubChem (CID 136634853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).