4-[3-(4-ethynylanilino)imidazo[1,2-a]pyridin-2-yl]benzene-1,2,3-triol

C21H15N3O3 — CID 167560267

IUPAC4-[3-(4-ethynylanilino)imidazo[1,2-a]pyridin-2-yl]benzene-1,2,3-triol
SMILESC#Cc1ccc(Nc2c(-c3ccc(O)c(O)c3O)nc3ccccn23)cc1
InChIInChI=1S/C21H15N3O3/c1-2-13-6-8-14(9-7-13)22-21-18(23-17-5-3-4-12-24(17)21)15-10-11-16(25)20(27)19(15)26/h1,3-12,22,25-27H
InChIKeyCQAIAIMBXWPJOD-UHFFFAOYSA-N
MW357.37 g/mol
LogP3.84
Rot. Bonds3

About 4-[3-(4-ethynylanilino)imidazo[1,2-a]pyridin-2-yl]benzene-1,2,3-triol

4-[3-(4-ethynylanilino)imidazo[1,2-a]pyridin-2-yl]benzene-1,2,3-triol (PubChem CID 167560267) has the molecular formula C21H15N3O3 and a molecular weight of 357.37 g/mol. Its IUPAC name is 4-[3-(4-ethynylanilino)imidazo[1,2-a]pyridin-2-yl]benzene-1,2,3-triol.

Molecular Properties

Compound Name4-[3-(4-ethynylanilino)imidazo[1,2-a]pyridin-2-yl]benzene-1,2,3-triol
PubChem CID167560267
Molecular FormulaC21H15N3O3
Molecular Weight357.37 g/mol
Exact Mass357.11
IUPAC Name4-[3-(4-ethynylanilino)imidazo[1,2-a]pyridin-2-yl]benzene-1,2,3-triol
SMILESC#Cc1ccc(Nc2c(-c3ccc(O)c(O)c3O)nc3ccccn23)cc1
InChIInChI=1S/C21H15N3O3/c1-2-13-6-8-14(9-7-13)22-21-18(23-17-5-3-4-12-24(17)21)15-10-11-16(25)20(27)19(15)26/h1,3-12,22,25-27H
InChIKeyCQAIAIMBXWPJOD-UHFFFAOYSA-N
XLogP3.84
TPSA90.02 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.37
LogP ≤ 53.84
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 4-[3-(4-ethynylanilino)imidazo[1,2-a]pyridin-2-yl]benzene-1,2,3-triol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[3-(4-ethynylanilino)imidazo[1,2-a]pyridin-2-yl]naphthalen-2-ol
CID 167560268
2-(3-chloro-2-fluorophenyl)-N-phenylimidazo[1,2-a]pyridin-3-amine
CID 91259410
N,2-bis(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-amine
CID 58564445
2-[3-(4-bromoanilino)-6-methylimidazo[1,2-a]pyridin-2-yl]phenol
CID 118796411
methyl 4-[[6-ethynyl-2-(4-ethynylphenyl)imidazo[1,2-a]pyridin-3-yl]amino]benzoate
CID 164601178
4-[[2-[1-(benzenesulfonyl)indol-3-yl]imidazo[1,2-a]pyridin-3-yl]amino]benzonitrile
CID 154620327
2-(3-methylimidazo[1,5-a]pyridin-1-yl)-N-(4-methylphenyl)imidazo[1,2-a]pyridin-3-amine
CID 174193271
2-(furan-2-yl)-N-phenylimidazo[1,2-a]pyridin-3-amine
CID 6621186
N,N-dimethyl-4-[(2-phenylimidazo[1,2-a]pyridin-3-yl)amino]benzamide
CID 102476670
2-(4-nitrophenyl)-N-phenylimidazo[1,2-a]pyridin-3-amine
CID 123510105
methyl 4-(3-anilinoimidazo[1,2-a]pyridin-2-yl)benzoate
CID 164601102
4-[[2-(2-hydroxyphenyl)-7-phenylimidazo[1,2-a]pyridin-3-yl]amino]benzoic acid
CID 174155412

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-ethynylanilino)imidazo[1,2-a]pyridin-2-yl]benzene-1,2,3-triol?
The IUPAC name of 4-[3-(4-ethynylanilino)imidazo[1,2-a]pyridin-2-yl]benzene-1,2,3-triol (CID 167560267) is 4-[3-(4-ethynylanilino)imidazo[1,2-a]pyridin-2-yl]benzene-1,2,3-triol.
What is the SMILES notation for 4-[3-(4-ethynylanilino)imidazo[1,2-a]pyridin-2-yl]benzene-1,2,3-triol?
The canonical SMILES for 4-[3-(4-ethynylanilino)imidazo[1,2-a]pyridin-2-yl]benzene-1,2,3-triol is C#Cc1ccc(Nc2c(-c3ccc(O)c(O)c3O)nc3ccccn23)cc1.
What is the InChIKey of 4-[3-(4-ethynylanilino)imidazo[1,2-a]pyridin-2-yl]benzene-1,2,3-triol?
The InChIKey is CQAIAIMBXWPJOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15N3O3/c1-2-13-6-8-14(9-7-13)22-21-18(23-17-5-3-4-12-24(17)21)15-10-11-16(25)20(27)19(15)26/h1,3-12,22,25-27H.
What are the key properties of 4-[3-(4-ethynylanilino)imidazo[1,2-a]pyridin-2-yl]benzene-1,2,3-triol?
4-[3-(4-ethynylanilino)imidazo[1,2-a]pyridin-2-yl]benzene-1,2,3-triol has a molecular weight of 357.37 g/mol, XLogP of 3.84, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-ethynylanilino)imidazo[1,2-a]pyridin-2-yl]benzene-1,2,3-triol is sourced from PubChem (CID 167560267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).