2-imidazo[4,5-b]pyridin-3-yl-3-phenylpropanoic acid

C15H13N3O2 — CID 82514410

IUPAC2-imidazo[4,5-b]pyridin-3-yl-3-phenylpropanoic acid
SMILESO=C(O)C(Cc1ccccc1)n1cnc2cccnc21
InChIInChI=1S/C15H13N3O2/c19-15(20)13(9-11-5-2-1-3-6-11)18-10-17-12-7-4-8-16-14(12)18/h1-8,10,13H,9H2,(H,19,20)
InChIKeyPDGCAUGICHKOID-UHFFFAOYSA-N
MW267.29 g/mol
LogP2.30
Rot. Bonds4

About 2-imidazo[4,5-b]pyridin-3-yl-3-phenylpropanoic acid

2-imidazo[4,5-b]pyridin-3-yl-3-phenylpropanoic acid (PubChem CID 82514410) has the molecular formula C15H13N3O2 and a molecular weight of 267.29 g/mol. Its IUPAC name is 2-imidazo[4,5-b]pyridin-3-yl-3-phenylpropanoic acid.

Molecular Properties

Compound Name2-imidazo[4,5-b]pyridin-3-yl-3-phenylpropanoic acid
PubChem CID82514410
Molecular FormulaC15H13N3O2
Molecular Weight267.29 g/mol
Exact Mass267.10
IUPAC Name2-imidazo[4,5-b]pyridin-3-yl-3-phenylpropanoic acid
SMILESO=C(O)C(Cc1ccccc1)n1cnc2cccnc21
InChIInChI=1S/C15H13N3O2/c19-15(20)13(9-11-5-2-1-3-6-11)18-10-17-12-7-4-8-16-14(12)18/h1-8,10,13H,9H2,(H,19,20)
InChIKeyPDGCAUGICHKOID-UHFFFAOYSA-N
XLogP2.30
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-oxo-1H-1,2,4-triazol-4-yl)-3-phenylpropanoic acid
CID 107410215
3-benzylimidazo[4,5-b]pyridine
CID 11009167
3-phenyl-2-(5-propan-2-ylimidazol-1-yl)propanoic acid
CID 82514099
(3R)-3-(benzimidazol-1-yl)-4-phenylbutanoic acid
CID 58653664
2-[3-(benzotriazol-2-yl)-1,4-diphenylbutan-2-yl]benzotriazole
CID 3718104
3-(1-phenylpropan-2-yl)benzimidazole-4-carboxylic acid
CID 115933338
3-phenyl-2-(4-propan-2-ylimidazol-1-yl)propanoic acid
CID 82514089
3-benzyl-4-imidazo[4,5-b]pyridin-3-ylpyridine-2-carboxamide
CID 67311556
1-[(1S)-1-carboxy-2-phenylethyl]-6-oxopyridine-3-carboxylic acid
CID 110087818
1-[1-(benzenesulfinyl)-2-phenylethyl]benzimidazole
CID 3696753
2-[2-(1,3-benzodioxol-5-yl)imidazol-1-yl]-3-phenylpropanoic acid
CID 56870852
(2R)-3-phenyl-2-[2-(1-propan-2-ylpiperidin-4-yl)imidazol-1-yl]propanoic acid
CID 95563260

Frequently Asked Questions

What is the IUPAC name of 2-imidazo[4,5-b]pyridin-3-yl-3-phenylpropanoic acid?
The IUPAC name of 2-imidazo[4,5-b]pyridin-3-yl-3-phenylpropanoic acid (CID 82514410) is 2-imidazo[4,5-b]pyridin-3-yl-3-phenylpropanoic acid.
What is the SMILES notation for 2-imidazo[4,5-b]pyridin-3-yl-3-phenylpropanoic acid?
The canonical SMILES for 2-imidazo[4,5-b]pyridin-3-yl-3-phenylpropanoic acid is O=C(O)C(Cc1ccccc1)n1cnc2cccnc21.
What is the InChIKey of 2-imidazo[4,5-b]pyridin-3-yl-3-phenylpropanoic acid?
The InChIKey is PDGCAUGICHKOID-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2/c19-15(20)13(9-11-5-2-1-3-6-11)18-10-17-12-7-4-8-16-14(12)18/h1-8,10,13H,9H2,(H,19,20).
What are the key properties of 2-imidazo[4,5-b]pyridin-3-yl-3-phenylpropanoic acid?
2-imidazo[4,5-b]pyridin-3-yl-3-phenylpropanoic acid has a molecular weight of 267.29 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imidazo[4,5-b]pyridin-3-yl-3-phenylpropanoic acid is sourced from PubChem (CID 82514410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).