4-[4-(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]benzoic acid

C20H15N3O3 — CID 167974159

IUPAC4-[4-(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]benzoic acid
SMILESCOc1ccc2[nH]c(-c3ccc(-c4ccc(C(=O)O)cc4)cc3)nc2n1
InChIInChI=1S/C20H15N3O3/c1-26-17-11-10-16-19(22-17)23-18(21-16)14-6-2-12(3-7-14)13-4-8-15(9-5-13)20(24)25/h2-11H,1H3,(H,24,25)(H,21,22,23)
InChIKeyVHSKCLUSSXGYET-UHFFFAOYSA-N
MW345.36 g/mol
LogP4.00
Rot. Bonds4

About 4-[4-(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]benzoic acid

4-[4-(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]benzoic acid (PubChem CID 167974159) has the molecular formula C20H15N3O3 and a molecular weight of 345.36 g/mol. Its IUPAC name is 4-[4-(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]benzoic acid.

Molecular Properties

Compound Name4-[4-(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]benzoic acid
PubChem CID167974159
Molecular FormulaC20H15N3O3
Molecular Weight345.36 g/mol
Exact Mass345.11
IUPAC Name4-[4-(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]benzoic acid
SMILESCOc1ccc2[nH]c(-c3ccc(-c4ccc(C(=O)O)cc4)cc3)nc2n1
InChIInChI=1S/C20H15N3O3/c1-26-17-11-10-16-19(22-17)23-18(21-16)14-6-2-12(3-7-14)13-4-8-15(9-5-13)20(24)25/h2-11H,1H3,(H,24,25)(H,21,22,23)
InChIKeyVHSKCLUSSXGYET-UHFFFAOYSA-N
XLogP4.00
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.36
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)benzene-1,3-diol
CID 107704555
6-(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)quinoxaline
CID 65483661
2-(3-chloro-4-fluorophenyl)-5-methoxy-1H-imidazo[4,5-b]pyridine
CID 82879286
2-fluoro-5-(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)aniline
CID 65485203
5-methoxy-2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridine
CID 65485621
2-[3,5-diethyl-1-[[4-(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]methyl]pyrazol-4-yl]acetic acid
CID 122198013
2-(3-bromo-5-methylphenyl)-5-methoxy-1H-imidazo[4,5-b]pyridine
CID 115999492
2-ethyl-2-[(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)methyl]butanoic acid
CID 65484026
2-[3-(difluoromethoxy)phenyl]-5-methoxy-1H-imidazo[4,5-b]pyridine
CID 65483074
4-[6-[2-(4-carboxyphenyl)-3H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]benzoic acid
CID 1211927
5-chloro-2-(4-fluorophenyl)-1H-imidazo[4,5-b]pyridine;6-chloropyridine-2,3-diamine;4-fluorobenzoic acid
CID 159753529
2-(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)benzene-1,4-diol
CID 136903811

Frequently Asked Questions

What is the IUPAC name of 4-[4-(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]benzoic acid?
The IUPAC name of 4-[4-(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]benzoic acid (CID 167974159) is 4-[4-(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]benzoic acid.
What is the SMILES notation for 4-[4-(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]benzoic acid?
The canonical SMILES for 4-[4-(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]benzoic acid is COc1ccc2[nH]c(-c3ccc(-c4ccc(C(=O)O)cc4)cc3)nc2n1.
What is the InChIKey of 4-[4-(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]benzoic acid?
The InChIKey is VHSKCLUSSXGYET-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O3/c1-26-17-11-10-16-19(22-17)23-18(21-16)14-6-2-12(3-7-14)13-4-8-15(9-5-13)20(24)25/h2-11H,1H3,(H,24,25)(H,21,22,23).
What are the key properties of 4-[4-(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]benzoic acid?
4-[4-(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]benzoic acid has a molecular weight of 345.36 g/mol, XLogP of 4.00, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]benzoic acid is sourced from PubChem (CID 167974159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).