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

C21H17N3O4 — CID 178174154

IUPAC2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazo[4,5-b]pyridin-2-yl]-5-methoxyphenol
SMILESCOc1ccc(-c2nc3cccnc3n2-c2ccc3c(c2)OCCO3)c(O)c1
InChIInChI=1S/C21H17N3O4/c1-26-14-5-6-15(17(25)12-14)20-23-16-3-2-8-22-21(16)24(20)13-4-7-18-19(11-13)28-10-9-27-18/h2-8,11-12,25H,9-10H2,1H3
InChIKeyYYFLJCYMOSRXDG-UHFFFAOYSA-N
MW375.38 g/mol
LogP3.57
Rot. Bonds3

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

2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazo[4,5-b]pyridin-2-yl]-5-methoxyphenol (PubChem CID 178174154) has the molecular formula C21H17N3O4 and a molecular weight of 375.38 g/mol. Its IUPAC name is 2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazo[4,5-b]pyridin-2-yl]-5-methoxyphenol.

Molecular Properties

Compound Name2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazo[4,5-b]pyridin-2-yl]-5-methoxyphenol
PubChem CID178174154
Molecular FormulaC21H17N3O4
Molecular Weight375.38 g/mol
Exact Mass375.12
IUPAC Name2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazo[4,5-b]pyridin-2-yl]-5-methoxyphenol
SMILESCOc1ccc(-c2nc3cccnc3n2-c2ccc3c(c2)OCCO3)c(O)c1
InChIInChI=1S/C21H17N3O4/c1-26-14-5-6-15(17(25)12-14)20-23-16-3-2-8-22-21(16)24(20)13-4-7-18-19(11-13)28-10-9-27-18/h2-8,11-12,25H,9-10H2,1H3
InChIKeyYYFLJCYMOSRXDG-UHFFFAOYSA-N
XLogP3.57
TPSA78.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.38
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazo[4,5-b]pyridin-2-yl]benzene-1,4-diol
CID 178174126
2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazo[4,5-b]pyridin-2-yl]-5-(propylamino)phenol
CID 178174137
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
4-ethyl-6-[3-(4-methoxyphenyl)imidazo[4,5-b]pyridin-2-yl]benzene-1,3-diol
CID 178120474
4-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazo[4,5-c]pyridin-2-yl]benzene-1,3-diol
CID 178174177
3-[3-(4-methoxyphenyl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine
CID 58345186
2-[2-amino-5-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrimidin-4-yl]-5-methoxyphenol
CID 1068801
4-[3-(4-aminophenyl)imidazo[4,5-b]pyridin-2-yl]-6-methylbenzene-1,3-diol
CID 178120438
3-[3-(4-methoxyphenyl)imidazo[4,5-b]pyridin-2-yl]propan-1-ol
CID 117159759
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

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]-5-methoxyphenol?
The IUPAC name of 2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazo[4,5-b]pyridin-2-yl]-5-methoxyphenol (CID 178174154) is 2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazo[4,5-b]pyridin-2-yl]-5-methoxyphenol.
What is the SMILES notation for 2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazo[4,5-b]pyridin-2-yl]-5-methoxyphenol?
The canonical SMILES for 2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazo[4,5-b]pyridin-2-yl]-5-methoxyphenol is COc1ccc(-c2nc3cccnc3n2-c2ccc3c(c2)OCCO3)c(O)c1.
What is the InChIKey of 2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazo[4,5-b]pyridin-2-yl]-5-methoxyphenol?
The InChIKey is YYFLJCYMOSRXDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O4/c1-26-14-5-6-15(17(25)12-14)20-23-16-3-2-8-22-21(16)24(20)13-4-7-18-19(11-13)28-10-9-27-18/h2-8,11-12,25H,9-10H2,1H3.
What are the key properties of 2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazo[4,5-b]pyridin-2-yl]-5-methoxyphenol?
2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazo[4,5-b]pyridin-2-yl]-5-methoxyphenol has a molecular weight of 375.38 g/mol, XLogP of 3.57, 3 rotatable bonds, 1 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]-5-methoxyphenol is sourced from PubChem (CID 178174154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).