5-[3-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-3-oxopropyl]imidazolidine-2,4-dione

C13H14N4O3 — CID 156823227

IUPAC5-[3-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-3-oxopropyl]imidazolidine-2,4-dione
SMILESO=C1NC(=O)C(CCC(=O)N2Cc3cccnc3C2)N1
InChIInChI=1S/C13H14N4O3/c18-11(4-3-9-12(19)16-13(20)15-9)17-6-8-2-1-5-14-10(8)7-17/h1-2,5,9H,3-4,6-7H2,(H2,15,16,19,20)
InChIKeyFULTZWSFSVSUFN-UHFFFAOYSA-N
MW274.28 g/mol
LogP-0.09
Rot. Bonds3

About 5-[3-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-3-oxopropyl]imidazolidine-2,4-dione

5-[3-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-3-oxopropyl]imidazolidine-2,4-dione (PubChem CID 156823227) has the molecular formula C13H14N4O3 and a molecular weight of 274.28 g/mol. Its IUPAC name is 5-[3-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-3-oxopropyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-[3-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-3-oxopropyl]imidazolidine-2,4-dione
PubChem CID156823227
Molecular FormulaC13H14N4O3
Molecular Weight274.28 g/mol
Exact Mass274.11
IUPAC Name5-[3-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-3-oxopropyl]imidazolidine-2,4-dione
SMILESO=C1NC(=O)C(CCC(=O)N2Cc3cccnc3C2)N1
InChIInChI=1S/C13H14N4O3/c18-11(4-3-9-12(19)16-13(20)15-9)17-6-8-2-1-5-14-10(8)7-17/h1-2,5,9H,3-4,6-7H2,(H2,15,16,19,20)
InChIKeyFULTZWSFSVSUFN-UHFFFAOYSA-N
XLogP-0.09
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-[3-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-3-oxopropyl]imidazolidine-2,4-dione?
The IUPAC name of 5-[3-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-3-oxopropyl]imidazolidine-2,4-dione (CID 156823227) is 5-[3-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-3-oxopropyl]imidazolidine-2,4-dione.
What is the SMILES notation for 5-[3-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-3-oxopropyl]imidazolidine-2,4-dione?
The canonical SMILES for 5-[3-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-3-oxopropyl]imidazolidine-2,4-dione is O=C1NC(=O)C(CCC(=O)N2Cc3cccnc3C2)N1.
What is the InChIKey of 5-[3-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-3-oxopropyl]imidazolidine-2,4-dione?
The InChIKey is FULTZWSFSVSUFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O3/c18-11(4-3-9-12(19)16-13(20)15-9)17-6-8-2-1-5-14-10(8)7-17/h1-2,5,9H,3-4,6-7H2,(H2,15,16,19,20).
What are the key properties of 5-[3-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-3-oxopropyl]imidazolidine-2,4-dione?
5-[3-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-3-oxopropyl]imidazolidine-2,4-dione has a molecular weight of 274.28 g/mol, XLogP of -0.09, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-3-oxopropyl]imidazolidine-2,4-dione is sourced from PubChem (CID 156823227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).