5-[2-(2,5-dioxoimidazolidin-4-yl)furo[2,3-b]pyridin-5-yl]-5-methylimidazolidine-2,4-dione

C14H11N5O5 — CID 143990247

IUPAC5-[2-(2,5-dioxoimidazolidin-4-yl)furo[2,3-b]pyridin-5-yl]-5-methylimidazolidine-2,4-dione
SMILESCC1(c2cnc3oc(C4NC(=O)NC4=O)cc3c2)NC(=O)NC1=O
InChIInChI=1S/C14H11N5O5/c1-14(11(21)18-13(23)19-14)6-2-5-3-7(24-10(5)15-4-6)8-9(20)17-12(22)16-8/h2-4,8H,1H3,(H2,16,17,20,22)(H2,18,19,21,23)
InChIKeyPKIPMLSKBKBQPZ-UHFFFAOYSA-N
MW329.27 g/mol
LogP-0.24
Rot. Bonds2

About 5-[2-(2,5-dioxoimidazolidin-4-yl)furo[2,3-b]pyridin-5-yl]-5-methylimidazolidine-2,4-dione

5-[2-(2,5-dioxoimidazolidin-4-yl)furo[2,3-b]pyridin-5-yl]-5-methylimidazolidine-2,4-dione (PubChem CID 143990247) has the molecular formula C14H11N5O5 and a molecular weight of 329.27 g/mol. Its IUPAC name is 5-[2-(2,5-dioxoimidazolidin-4-yl)furo[2,3-b]pyridin-5-yl]-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name5-[2-(2,5-dioxoimidazolidin-4-yl)furo[2,3-b]pyridin-5-yl]-5-methylimidazolidine-2,4-dione
PubChem CID143990247
Molecular FormulaC14H11N5O5
Molecular Weight329.27 g/mol
Exact Mass329.08
IUPAC Name5-[2-(2,5-dioxoimidazolidin-4-yl)furo[2,3-b]pyridin-5-yl]-5-methylimidazolidine-2,4-dione
SMILESCC1(c2cnc3oc(C4NC(=O)NC4=O)cc3c2)NC(=O)NC1=O
InChIInChI=1S/C14H11N5O5/c1-14(11(21)18-13(23)19-14)6-2-5-3-7(24-10(5)15-4-6)8-9(20)17-12(22)16-8/h2-4,8H,1H3,(H2,16,17,20,22)(H2,18,19,21,23)
InChIKeyPKIPMLSKBKBQPZ-UHFFFAOYSA-N
XLogP-0.24
TPSA142.43 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.27
LogP ≤ 5-0.24
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(2,5-dioxoimidazolidin-4-yl)furo[2,3-b]pyridin-5-yl]-5-methylimidazolidine-2,4-dione?
The IUPAC name of 5-[2-(2,5-dioxoimidazolidin-4-yl)furo[2,3-b]pyridin-5-yl]-5-methylimidazolidine-2,4-dione (CID 143990247) is 5-[2-(2,5-dioxoimidazolidin-4-yl)furo[2,3-b]pyridin-5-yl]-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for 5-[2-(2,5-dioxoimidazolidin-4-yl)furo[2,3-b]pyridin-5-yl]-5-methylimidazolidine-2,4-dione?
The canonical SMILES for 5-[2-(2,5-dioxoimidazolidin-4-yl)furo[2,3-b]pyridin-5-yl]-5-methylimidazolidine-2,4-dione is CC1(c2cnc3oc(C4NC(=O)NC4=O)cc3c2)NC(=O)NC1=O.
What is the InChIKey of 5-[2-(2,5-dioxoimidazolidin-4-yl)furo[2,3-b]pyridin-5-yl]-5-methylimidazolidine-2,4-dione?
The InChIKey is PKIPMLSKBKBQPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N5O5/c1-14(11(21)18-13(23)19-14)6-2-5-3-7(24-10(5)15-4-6)8-9(20)17-12(22)16-8/h2-4,8H,1H3,(H2,16,17,20,22)(H2,18,19,21,23).
What are the key properties of 5-[2-(2,5-dioxoimidazolidin-4-yl)furo[2,3-b]pyridin-5-yl]-5-methylimidazolidine-2,4-dione?
5-[2-(2,5-dioxoimidazolidin-4-yl)furo[2,3-b]pyridin-5-yl]-5-methylimidazolidine-2,4-dione has a molecular weight of 329.27 g/mol, XLogP of -0.24, 2 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2,5-dioxoimidazolidin-4-yl)furo[2,3-b]pyridin-5-yl]-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 143990247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).