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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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).