2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazo[4,5-b]pyridin-2-yl]benzene-1,4-diol

C20H15N3O4 — CID 178174126

IUPAC2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazo[4,5-b]pyridin-2-yl]benzene-1,4-diol
SMILESOc1ccc(O)c(-c2nc3cccnc3n2-c2ccc3c(c2)OCCO3)c1
InChIInChI=1S/C20H15N3O4/c24-13-4-5-16(25)14(11-13)19-22-15-2-1-7-21-20(15)23(19)12-3-6-17-18(10-12)27-9-8-26-17/h1-7,10-11,24-25H,8-9H2
InChIKeyAVXXJQYXZVLIAA-UHFFFAOYSA-N
MW361.36 g/mol
LogP3.27
Rot. Bonds2

About 2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazo[4,5-b]pyridin-2-yl]benzene-1,4-diol

2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazo[4,5-b]pyridin-2-yl]benzene-1,4-diol (PubChem CID 178174126) has the molecular formula C20H15N3O4 and a molecular weight of 361.36 g/mol. Its IUPAC name is 2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazo[4,5-b]pyridin-2-yl]benzene-1,4-diol.

Molecular Properties

Compound Name2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazo[4,5-b]pyridin-2-yl]benzene-1,4-diol
PubChem CID178174126
Molecular FormulaC20H15N3O4
Molecular Weight361.36 g/mol
Exact Mass361.11
IUPAC Name2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazo[4,5-b]pyridin-2-yl]benzene-1,4-diol
SMILESOc1ccc(O)c(-c2nc3cccnc3n2-c2ccc3c(c2)OCCO3)c1
InChIInChI=1S/C20H15N3O4/c24-13-4-5-16(25)14(11-13)19-22-15-2-1-7-21-20(15)23(19)12-3-6-17-18(10-12)27-9-8-26-17/h1-7,10-11,24-25H,8-9H2
InChIKeyAVXXJQYXZVLIAA-UHFFFAOYSA-N
XLogP3.27
TPSA89.63 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.36
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

Analyze 2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazo[4,5-b]pyridin-2-yl]benzene-1,4-diol 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

4-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazo[4,5-b]pyridin-2-yl]-6-(3-hydroxyphenyl)benzene-1,3-diol
CID 178174153
2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazo[4,5-b]pyridin-2-yl]-4-nitrophenol
CID 178174155
2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazo[4,5-b]pyridin-2-yl]-5-methoxyphenol
CID 178174154
2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazo[4,5-b]pyridin-2-yl]-5-(propylamino)phenol
CID 178174137
4-[3-(4-aminophenyl)imidazo[4,5-b]pyridin-2-yl]-6-methylbenzene-1,3-diol
CID 178120438
6-[2-(4-fluorophenyl)imidazo[4,5-b]pyridin-3-yl]-2,3-dihydro-1,3-benzoxazole
CID 175719366
3-phenyl-2-[2,4,5-tris(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]imidazo[4,5-b]pyridine
CID 20606867
2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazo[4,5-b]pyridin-3-yl]ethanamine
CID 102443349
4-(2-pyridin-3-ylimidazo[4,5-b]pyridin-3-yl)phenol
CID 117164759
4-fluoro-2-(3-methylimidazo[4,5-b]pyridin-2-yl)phenol
CID 137010368
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,5-dimethyl-N-quinolin-6-ylpyrrole-3-carboxamide
CID 60555223
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(furan-2-yl)imidazo[4,5-b]quinoxaline
CID 661951

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazo[4,5-b]pyridin-2-yl]benzene-1,4-diol?
The IUPAC name of 2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazo[4,5-b]pyridin-2-yl]benzene-1,4-diol (CID 178174126) is 2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazo[4,5-b]pyridin-2-yl]benzene-1,4-diol.
What is the SMILES notation for 2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazo[4,5-b]pyridin-2-yl]benzene-1,4-diol?
The canonical SMILES for 2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazo[4,5-b]pyridin-2-yl]benzene-1,4-diol is Oc1ccc(O)c(-c2nc3cccnc3n2-c2ccc3c(c2)OCCO3)c1.
What is the InChIKey of 2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazo[4,5-b]pyridin-2-yl]benzene-1,4-diol?
The InChIKey is AVXXJQYXZVLIAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O4/c24-13-4-5-16(25)14(11-13)19-22-15-2-1-7-21-20(15)23(19)12-3-6-17-18(10-12)27-9-8-26-17/h1-7,10-11,24-25H,8-9H2.
What are the key properties of 2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazo[4,5-b]pyridin-2-yl]benzene-1,4-diol?
2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazo[4,5-b]pyridin-2-yl]benzene-1,4-diol has a molecular weight of 361.36 g/mol, XLogP of 3.27, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazo[4,5-b]pyridin-2-yl]benzene-1,4-diol is sourced from PubChem (CID 178174126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).