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

C16H20N4O3 — CID 156823259

IUPACcyclopropane;5-[3-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-3-oxopropyl]imidazolidine-2,4-dione
SMILESC1CC1.O=C1NC(=O)C(CCC(=O)N2Cc3cccnc3C2)N1
InChIInChI=1S/C13H14N4O3.C3H6/c18-11(4-3-9-12(19)16-13(20)15-9)17-6-8-2-1-5-14-10(8)7-17;1-2-3-1/h1-2,5,9H,3-4,6-7H2,(H2,15,16,19,20);1-3H2
InChIKeyOBTASILQFIWBRW-UHFFFAOYSA-N
MW316.36 g/mol
LogP1.08
Rot. Bonds3

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

cyclopropane;5-[3-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-3-oxopropyl]imidazolidine-2,4-dione (PubChem CID 156823259) has the molecular formula C16H20N4O3 and a molecular weight of 316.36 g/mol. Its IUPAC name is cyclopropane;5-[3-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-3-oxopropyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Namecyclopropane;5-[3-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-3-oxopropyl]imidazolidine-2,4-dione
PubChem CID156823259
Molecular FormulaC16H20N4O3
Molecular Weight316.36 g/mol
Exact Mass316.15
IUPAC Namecyclopropane;5-[3-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-3-oxopropyl]imidazolidine-2,4-dione
SMILESC1CC1.O=C1NC(=O)C(CCC(=O)N2Cc3cccnc3C2)N1
InChIInChI=1S/C13H14N4O3.C3H6/c18-11(4-3-9-12(19)16-13(20)15-9)17-6-8-2-1-5-14-10(8)7-17;1-2-3-1/h1-2,5,9H,3-4,6-7H2,(H2,15,16,19,20);1-3H2
InChIKeyOBTASILQFIWBRW-UHFFFAOYSA-N
XLogP1.08
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 51.08
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 cyclopropane;5-[3-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-3-oxopropyl]imidazolidine-2,4-dione?
The IUPAC name of cyclopropane;5-[3-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-3-oxopropyl]imidazolidine-2,4-dione (CID 156823259) is cyclopropane;5-[3-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-3-oxopropyl]imidazolidine-2,4-dione.
What is the SMILES notation for cyclopropane;5-[3-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-3-oxopropyl]imidazolidine-2,4-dione?
The canonical SMILES for cyclopropane;5-[3-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-3-oxopropyl]imidazolidine-2,4-dione is C1CC1.O=C1NC(=O)C(CCC(=O)N2Cc3cccnc3C2)N1.
What is the InChIKey of cyclopropane;5-[3-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-3-oxopropyl]imidazolidine-2,4-dione?
The InChIKey is OBTASILQFIWBRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O3.C3H6/c18-11(4-3-9-12(19)16-13(20)15-9)17-6-8-2-1-5-14-10(8)7-17;1-2-3-1/h1-2,5,9H,3-4,6-7H2,(H2,15,16,19,20);1-3H2.
What are the key properties of cyclopropane;5-[3-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-3-oxopropyl]imidazolidine-2,4-dione?
cyclopropane;5-[3-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-3-oxopropyl]imidazolidine-2,4-dione has a molecular weight of 316.36 g/mol, XLogP of 1.08, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropane;5-[3-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-3-oxopropyl]imidazolidine-2,4-dione is sourced from PubChem (CID 156823259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).