methyl 2-(2,5-dioxoimidazolidin-4-yl)furo[3,2-b]pyridine-5-carboxylate

C12H9N3O5 — CID 91386323

IUPACmethyl 2-(2,5-dioxoimidazolidin-4-yl)furo[3,2-b]pyridine-5-carboxylate
SMILESCOC(=O)c1ccc2oc(C3NC(=O)NC3=O)cc2n1
InChIInChI=1S/C12H9N3O5/c1-19-11(17)5-2-3-7-6(13-5)4-8(20-7)9-10(16)15-12(18)14-9/h2-4,9H,1H3,(H2,14,15,16,18)
InChIKeyXIJTXWLNIBZDRD-UHFFFAOYSA-N
MW275.22 g/mol
LogP0.49
Rot. Bonds2

About methyl 2-(2,5-dioxoimidazolidin-4-yl)furo[3,2-b]pyridine-5-carboxylate

methyl 2-(2,5-dioxoimidazolidin-4-yl)furo[3,2-b]pyridine-5-carboxylate (PubChem CID 91386323) has the molecular formula C12H9N3O5 and a molecular weight of 275.22 g/mol. Its IUPAC name is methyl 2-(2,5-dioxoimidazolidin-4-yl)furo[3,2-b]pyridine-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-(2,5-dioxoimidazolidin-4-yl)furo[3,2-b]pyridine-5-carboxylate
PubChem CID91386323
Molecular FormulaC12H9N3O5
Molecular Weight275.22 g/mol
Exact Mass275.05
IUPAC Namemethyl 2-(2,5-dioxoimidazolidin-4-yl)furo[3,2-b]pyridine-5-carboxylate
SMILESCOC(=O)c1ccc2oc(C3NC(=O)NC3=O)cc2n1
InChIInChI=1S/C12H9N3O5/c1-19-11(17)5-2-3-7-6(13-5)4-8(20-7)9-10(16)15-12(18)14-9/h2-4,9H,1H3,(H2,14,15,16,18)
InChIKeyXIJTXWLNIBZDRD-UHFFFAOYSA-N
XLogP0.49
TPSA110.53 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.22
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze methyl 2-(2,5-dioxoimidazolidin-4-yl)furo[3,2-b]pyridine-5-carboxylate with MolForge

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Related Compounds

5-[5-(2-oxoazetidin-1-yl)furo[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione
CID 143989605
5-[5-[methyl(2-propoxyethyl)amino]furo[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione
CID 143990391
(5R)-5-[5-(pyridin-3-ylamino)furo[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione
CID 173284061
1-[2-(2,5-dioxoimidazolidin-4-yl)furo[3,2-b]pyridin-5-yl]-3-ethylurea;6-methoxy-2-methyl-3H-isoindol-1-one
CID 143989988
5-(5-fluorofuro[2,3-c]pyridin-2-yl)imidazolidine-2,4-dione
CID 143990076
7-fluoro-6-methoxy-2-methyl-3H-isoindol-1-one;5-[5-(2-oxopyrrolidin-1-yl)furo[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione
CID 143990286
5-(4-oxo-5H-furo[3,2-c]pyridin-2-yl)imidazolidine-2,4-dione
CID 143990269
(5S)-5-furo[3,2-b]pyridin-2-ylimidazolidine-2,4-dione;6-methoxy-2,7-dimethyl-3H-isoindol-1-one
CID 143989241
5-(7-fluorofuro[3,2-c]pyridin-2-yl)imidazolidine-2,4-dione
CID 143510182
5-[5-(2-amino-4H-azepin-6-yl)furo[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione;7-fluoro-6-methoxy-2-methyl-3H-isoindol-1-one
CID 143989954
ethane;5-[6-(1-methoxyethenyl)furo[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione;6-methoxy-2-methyl-3H-isoindol-1-one
CID 143990138
5-[5-[2-hydroxyethyl-[(2Z,4Z)-2-(methylideneamino)hexa-2,4-dienyl]amino]furo[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione;6-methoxy-2-methyl-3H-isoindol-1-one
CID 143990114

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2,5-dioxoimidazolidin-4-yl)furo[3,2-b]pyridine-5-carboxylate?
The IUPAC name of methyl 2-(2,5-dioxoimidazolidin-4-yl)furo[3,2-b]pyridine-5-carboxylate (CID 91386323) is methyl 2-(2,5-dioxoimidazolidin-4-yl)furo[3,2-b]pyridine-5-carboxylate.
What is the SMILES notation for methyl 2-(2,5-dioxoimidazolidin-4-yl)furo[3,2-b]pyridine-5-carboxylate?
The canonical SMILES for methyl 2-(2,5-dioxoimidazolidin-4-yl)furo[3,2-b]pyridine-5-carboxylate is COC(=O)c1ccc2oc(C3NC(=O)NC3=O)cc2n1.
What is the InChIKey of methyl 2-(2,5-dioxoimidazolidin-4-yl)furo[3,2-b]pyridine-5-carboxylate?
The InChIKey is XIJTXWLNIBZDRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3O5/c1-19-11(17)5-2-3-7-6(13-5)4-8(20-7)9-10(16)15-12(18)14-9/h2-4,9H,1H3,(H2,14,15,16,18).
What are the key properties of methyl 2-(2,5-dioxoimidazolidin-4-yl)furo[3,2-b]pyridine-5-carboxylate?
methyl 2-(2,5-dioxoimidazolidin-4-yl)furo[3,2-b]pyridine-5-carboxylate has a molecular weight of 275.22 g/mol, XLogP of 0.49, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2,5-dioxoimidazolidin-4-yl)furo[3,2-b]pyridine-5-carboxylate is sourced from PubChem (CID 91386323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).