3-(1,3-benzodioxol-5-yl)-1-(1-hydroxyethyl)imidazo[4,5-b]pyridin-2-one

C15H13N3O4 — CID 21329330

IUPAC3-(1,3-benzodioxol-5-yl)-1-(1-hydroxyethyl)imidazo[4,5-b]pyridin-2-one
SMILESCC(O)n1c(=O)n(-c2ccc3c(c2)OCO3)c2ncccc21
InChIInChI=1S/C15H13N3O4/c1-9(19)17-11-3-2-6-16-14(11)18(15(17)20)10-4-5-12-13(7-10)22-8-21-12/h2-7,9,19H,8H2,1H3
InChIKeyNVQSHNYXQCSGMF-UHFFFAOYSA-N
MW299.29 g/mol
LogP1.43
Rot. Bonds2

About 3-(1,3-benzodioxol-5-yl)-1-(1-hydroxyethyl)imidazo[4,5-b]pyridin-2-one

3-(1,3-benzodioxol-5-yl)-1-(1-hydroxyethyl)imidazo[4,5-b]pyridin-2-one (PubChem CID 21329330) has the molecular formula C15H13N3O4 and a molecular weight of 299.29 g/mol. Its IUPAC name is 3-(1,3-benzodioxol-5-yl)-1-(1-hydroxyethyl)imidazo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name3-(1,3-benzodioxol-5-yl)-1-(1-hydroxyethyl)imidazo[4,5-b]pyridin-2-one
PubChem CID21329330
Molecular FormulaC15H13N3O4
Molecular Weight299.29 g/mol
Exact Mass299.09
IUPAC Name3-(1,3-benzodioxol-5-yl)-1-(1-hydroxyethyl)imidazo[4,5-b]pyridin-2-one
SMILESCC(O)n1c(=O)n(-c2ccc3c(c2)OCO3)c2ncccc21
InChIInChI=1S/C15H13N3O4/c1-9(19)17-11-3-2-6-16-14(11)18(15(17)20)10-4-5-12-13(7-10)22-8-21-12/h2-7,9,19H,8H2,1H3
InChIKeyNVQSHNYXQCSGMF-UHFFFAOYSA-N
XLogP1.43
TPSA78.51 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.29
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-(1,3-benzodioxol-5-yl)-1-phenacylimidazo[4,5-b]pyridin-2-one;propan-2-one
CID 90672093
1-(1,3-benzodioxol-5-yl)pyrazolo[5,4-b]pyridin-3-amine
CID 121004245
N-(1,3-benzodioxol-5-ylmethyl)-2-(4-methyl-2,3-dioxopyrido[2,3-b]pyrazin-1-yl)acetamide
CID 53001024
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-oxo-3-propan-2-ylimidazo[4,5-b]pyridin-1-yl)acetamide
CID 95807337
1-(1,3-benzodioxol-5-yl)-3,4-dihydroxypyrrole-2,5-dicarboxylic acid
CID 174733741
3-(1,3-benzodioxol-5-yl)-7-methylimidazo[4,5-b]pyridin-2-amine
CID 79277003
3-[(3R)-1-(1,3-benzodioxole-5-carbonyl)pyrrolidin-3-yl]-1-methylimidazo[4,5-b]pyridin-2-one
CID 91909913
3-(1,3-benzodioxol-5-yl)-1H-benzimidazole-2-thione
CID 29067666
N-(1,3-benzodioxol-5-yl)-1-methyl-2-oxo-1,8-naphthyridine-3-carboxamide
CID 7619555
2-[3-(1,3-benzodioxol-5-ylmethyl)-2,4-dioxopyrido[2,3-d]pyrimidin-1-yl]acetamide
CID 7184752
1-(1,3-benzodioxol-5-yl)-2-methylsulfonylimidazole
CID 82133808
1-[(2R)-3-(1,3-benzodioxol-5-yloxy)-2-hydroxypropyl]-3-methylbenzimidazol-2-one
CID 94817569

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-benzodioxol-5-yl)-1-(1-hydroxyethyl)imidazo[4,5-b]pyridin-2-one?
The IUPAC name of 3-(1,3-benzodioxol-5-yl)-1-(1-hydroxyethyl)imidazo[4,5-b]pyridin-2-one (CID 21329330) is 3-(1,3-benzodioxol-5-yl)-1-(1-hydroxyethyl)imidazo[4,5-b]pyridin-2-one.
What is the SMILES notation for 3-(1,3-benzodioxol-5-yl)-1-(1-hydroxyethyl)imidazo[4,5-b]pyridin-2-one?
The canonical SMILES for 3-(1,3-benzodioxol-5-yl)-1-(1-hydroxyethyl)imidazo[4,5-b]pyridin-2-one is CC(O)n1c(=O)n(-c2ccc3c(c2)OCO3)c2ncccc21.
What is the InChIKey of 3-(1,3-benzodioxol-5-yl)-1-(1-hydroxyethyl)imidazo[4,5-b]pyridin-2-one?
The InChIKey is NVQSHNYXQCSGMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O4/c1-9(19)17-11-3-2-6-16-14(11)18(15(17)20)10-4-5-12-13(7-10)22-8-21-12/h2-7,9,19H,8H2,1H3.
What are the key properties of 3-(1,3-benzodioxol-5-yl)-1-(1-hydroxyethyl)imidazo[4,5-b]pyridin-2-one?
3-(1,3-benzodioxol-5-yl)-1-(1-hydroxyethyl)imidazo[4,5-b]pyridin-2-one has a molecular weight of 299.29 g/mol, XLogP of 1.43, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-benzodioxol-5-yl)-1-(1-hydroxyethyl)imidazo[4,5-b]pyridin-2-one is sourced from PubChem (CID 21329330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).