4-[[2-(2-hydroxyphenyl)-7-phenylimidazo[1,2-a]pyridin-3-yl]amino]benzoic acid

C26H19N3O3 — CID 174155412

IUPAC4-[[2-(2-hydroxyphenyl)-7-phenylimidazo[1,2-a]pyridin-3-yl]amino]benzoic acid
SMILESO=C(O)c1ccc(Nc2c(-c3ccccc3O)nc3cc(-c4ccccc4)ccn23)cc1
InChIInChI=1S/C26H19N3O3/c30-22-9-5-4-8-21(22)24-25(27-20-12-10-18(11-13-20)26(31)32)29-15-14-19(16-23(29)28-24)17-6-2-1-3-7-17/h1-16,27,30H,(H,31,32)
InChIKeyPPAARBMGUWMWEV-UHFFFAOYSA-N
MW421.46 g/mol
LogP5.82
Rot. Bonds5

About 4-[[2-(2-hydroxyphenyl)-7-phenylimidazo[1,2-a]pyridin-3-yl]amino]benzoic acid

4-[[2-(2-hydroxyphenyl)-7-phenylimidazo[1,2-a]pyridin-3-yl]amino]benzoic acid (PubChem CID 174155412) has the molecular formula C26H19N3O3 and a molecular weight of 421.46 g/mol. Its IUPAC name is 4-[[2-(2-hydroxyphenyl)-7-phenylimidazo[1,2-a]pyridin-3-yl]amino]benzoic acid.

Molecular Properties

Compound Name4-[[2-(2-hydroxyphenyl)-7-phenylimidazo[1,2-a]pyridin-3-yl]amino]benzoic acid
PubChem CID174155412
Molecular FormulaC26H19N3O3
Molecular Weight421.46 g/mol
Exact Mass421.14
IUPAC Name4-[[2-(2-hydroxyphenyl)-7-phenylimidazo[1,2-a]pyridin-3-yl]amino]benzoic acid
SMILESO=C(O)c1ccc(Nc2c(-c3ccccc3O)nc3cc(-c4ccccc4)ccn23)cc1
InChIInChI=1S/C26H19N3O3/c30-22-9-5-4-8-21(22)24-25(27-20-12-10-18(11-13-20)26(31)32)29-15-14-19(16-23(29)28-24)17-6-2-1-3-7-17/h1-16,27,30H,(H,31,32)
InChIKeyPPAARBMGUWMWEV-UHFFFAOYSA-N
XLogP5.82
TPSA86.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.46
LogP ≤ 55.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-(2-hydroxyphenyl)-7-phenylimidazo[1,2-a]pyridin-3-yl]amino]benzoic acid?
The IUPAC name of 4-[[2-(2-hydroxyphenyl)-7-phenylimidazo[1,2-a]pyridin-3-yl]amino]benzoic acid (CID 174155412) is 4-[[2-(2-hydroxyphenyl)-7-phenylimidazo[1,2-a]pyridin-3-yl]amino]benzoic acid.
What is the SMILES notation for 4-[[2-(2-hydroxyphenyl)-7-phenylimidazo[1,2-a]pyridin-3-yl]amino]benzoic acid?
The canonical SMILES for 4-[[2-(2-hydroxyphenyl)-7-phenylimidazo[1,2-a]pyridin-3-yl]amino]benzoic acid is O=C(O)c1ccc(Nc2c(-c3ccccc3O)nc3cc(-c4ccccc4)ccn23)cc1.
What is the InChIKey of 4-[[2-(2-hydroxyphenyl)-7-phenylimidazo[1,2-a]pyridin-3-yl]amino]benzoic acid?
The InChIKey is PPAARBMGUWMWEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19N3O3/c30-22-9-5-4-8-21(22)24-25(27-20-12-10-18(11-13-20)26(31)32)29-15-14-19(16-23(29)28-24)17-6-2-1-3-7-17/h1-16,27,30H,(H,31,32).
What are the key properties of 4-[[2-(2-hydroxyphenyl)-7-phenylimidazo[1,2-a]pyridin-3-yl]amino]benzoic acid?
4-[[2-(2-hydroxyphenyl)-7-phenylimidazo[1,2-a]pyridin-3-yl]amino]benzoic acid has a molecular weight of 421.46 g/mol, XLogP of 5.82, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(2-hydroxyphenyl)-7-phenylimidazo[1,2-a]pyridin-3-yl]amino]benzoic acid is sourced from PubChem (CID 174155412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).