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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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).