4-(5-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)benzoic acid

C18H12N4O2 — CID 146315981

IUPAC4-(5-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)benzoic acid
SMILESO=C(O)c1ccc(-n2cnc3ccc(-c4ccncc4)nc32)cc1
InChIInChI=1S/C18H12N4O2/c23-18(24)13-1-3-14(4-2-13)22-11-20-16-6-5-15(21-17(16)22)12-7-9-19-10-8-12/h1-11H,(H,23,24)
InChIKeyLNAWMTNOXRGXAN-UHFFFAOYSA-N
MW316.32 g/mol
LogP3.18
Rot. Bonds3

About 4-(5-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)benzoic acid

4-(5-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)benzoic acid (PubChem CID 146315981) has the molecular formula C18H12N4O2 and a molecular weight of 316.32 g/mol. Its IUPAC name is 4-(5-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)benzoic acid.

Molecular Properties

Compound Name4-(5-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)benzoic acid
PubChem CID146315981
Molecular FormulaC18H12N4O2
Molecular Weight316.32 g/mol
Exact Mass316.10
IUPAC Name4-(5-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)benzoic acid
SMILESO=C(O)c1ccc(-n2cnc3ccc(-c4ccncc4)nc32)cc1
InChIInChI=1S/C18H12N4O2/c23-18(24)13-1-3-14(4-2-13)22-11-20-16-6-5-15(21-17(16)22)12-7-9-19-10-8-12/h1-11H,(H,23,24)
InChIKeyLNAWMTNOXRGXAN-UHFFFAOYSA-N
XLogP3.18
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.32
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-((2'-Carboxybiphenyl-4-yl)methyl)-2-cyclopropyl-7-methyl-3H-imidazo(4,5-b)pyridine
CID 131857
1-Isopropyl-1H-benzoimidazole-5-carboxylic acid
CID 4712703
Zolpidem carboxylic acid
CID 11966044
3-[4-(4-Methylpiperazin-1-Yl)phenyl]-9h-Pyrrolo[2,3-B:5,4-C']dipyridine-6-Carboxylic Acid
CID 58266559
2-[4-[[5-(1-Methylbenzimidazol-2-yl)-2-propylimidazo[4,5-b]pyridin-3-yl]methyl]phenyl]benzoic acid
CID 44373353
Methyl 4-(7-fluoro-6-pyridin-4-ylbenzimidazol-1-yl)benzoate
CID 146316027
4-[Ethyl-[4-(3-methylbenzimidazole-5-carbonyl)piperidine-1-carbonyl]amino]benzoic acid
CID 146627023
4-(2-Amino-3-cyanopyrrolo[3,2-b]quinoxalin-1-yl)benzoic acid
CID 705209
Deoxyaminopteroic Acid
CID 72441
1-Methyl-1H-benzimidazole-5-carboxylic acid
CID 4913063
Imidazo(1,2-a)pyridine-6-carboxylic acid, 3-(2-(dimethylamino)-2-oxoethyl)-2-(4-methylphenyl)-
CID 13691338
Pomisartan
CID 3050407

Frequently Asked Questions

What is the IUPAC name of 4-(5-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)benzoic acid?
The IUPAC name of 4-(5-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)benzoic acid (CID 146315981) is 4-(5-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)benzoic acid.
What is the SMILES notation for 4-(5-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)benzoic acid?
The canonical SMILES for 4-(5-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)benzoic acid is O=C(O)c1ccc(-n2cnc3ccc(-c4ccncc4)nc32)cc1.
What is the InChIKey of 4-(5-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)benzoic acid?
The InChIKey is LNAWMTNOXRGXAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N4O2/c23-18(24)13-1-3-14(4-2-13)22-11-20-16-6-5-15(21-17(16)22)12-7-9-19-10-8-12/h1-11H,(H,23,24).
What are the key properties of 4-(5-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)benzoic acid?
4-(5-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)benzoic acid has a molecular weight of 316.32 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)benzoic acid is sourced from PubChem (CID 146315981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).