2-cyclobutyl-7-(5-fluoro-3-pyridinyl)-5,7-diazaspiro[3.4]octane-6,8-dione

C15H16FN3O2 — CID 162625310

IUPAC2-cyclobutyl-7-(5-fluoro-3-pyridinyl)-5,7-diazaspiro[3.4]octane-6,8-dione
SMILESO=C1NC2(CC(C3CCC3)C2)C(=O)N1c1cncc(F)c1
InChIInChI=1S/C15H16FN3O2/c16-11-4-12(8-17-7-11)19-13(20)15(18-14(19)21)5-10(6-15)9-2-1-3-9/h4,7-10H,1-3,5-6H2,(H,18,21)
InChIKeyFOZLXSUKKDDCIZ-UHFFFAOYSA-N
MW289.31 g/mol
LogP2.23
Rot. Bonds2

About 2-cyclobutyl-7-(5-fluoro-3-pyridinyl)-5,7-diazaspiro[3.4]octane-6,8-dione

2-cyclobutyl-7-(5-fluoro-3-pyridinyl)-5,7-diazaspiro[3.4]octane-6,8-dione (PubChem CID 162625310) has the molecular formula C15H16FN3O2 and a molecular weight of 289.31 g/mol. Its IUPAC name is 2-cyclobutyl-7-(5-fluoro-3-pyridinyl)-5,7-diazaspiro[3.4]octane-6,8-dione.

Molecular Properties

Compound Name2-cyclobutyl-7-(5-fluoro-3-pyridinyl)-5,7-diazaspiro[3.4]octane-6,8-dione
PubChem CID162625310
Molecular FormulaC15H16FN3O2
Molecular Weight289.31 g/mol
Exact Mass289.12
IUPAC Name2-cyclobutyl-7-(5-fluoro-3-pyridinyl)-5,7-diazaspiro[3.4]octane-6,8-dione
SMILESO=C1NC2(CC(C3CCC3)C2)C(=O)N1c1cncc(F)c1
InChIInChI=1S/C15H16FN3O2/c16-11-4-12(8-17-7-11)19-13(20)15(18-14(19)21)5-10(6-15)9-2-1-3-9/h4,7-10H,1-3,5-6H2,(H,18,21)
InChIKeyFOZLXSUKKDDCIZ-UHFFFAOYSA-N
XLogP2.23
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.31
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-7-(5-fluoro-3-pyridinyl)-5,7-diazaspiro[3.4]octane-6,8-dione?
The IUPAC name of 2-cyclobutyl-7-(5-fluoro-3-pyridinyl)-5,7-diazaspiro[3.4]octane-6,8-dione (CID 162625310) is 2-cyclobutyl-7-(5-fluoro-3-pyridinyl)-5,7-diazaspiro[3.4]octane-6,8-dione.
What is the SMILES notation for 2-cyclobutyl-7-(5-fluoro-3-pyridinyl)-5,7-diazaspiro[3.4]octane-6,8-dione?
The canonical SMILES for 2-cyclobutyl-7-(5-fluoro-3-pyridinyl)-5,7-diazaspiro[3.4]octane-6,8-dione is O=C1NC2(CC(C3CCC3)C2)C(=O)N1c1cncc(F)c1.
What is the InChIKey of 2-cyclobutyl-7-(5-fluoro-3-pyridinyl)-5,7-diazaspiro[3.4]octane-6,8-dione?
The InChIKey is FOZLXSUKKDDCIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3O2/c16-11-4-12(8-17-7-11)19-13(20)15(18-14(19)21)5-10(6-15)9-2-1-3-9/h4,7-10H,1-3,5-6H2,(H,18,21).
What are the key properties of 2-cyclobutyl-7-(5-fluoro-3-pyridinyl)-5,7-diazaspiro[3.4]octane-6,8-dione?
2-cyclobutyl-7-(5-fluoro-3-pyridinyl)-5,7-diazaspiro[3.4]octane-6,8-dione has a molecular weight of 289.31 g/mol, XLogP of 2.23, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-7-(5-fluoro-3-pyridinyl)-5,7-diazaspiro[3.4]octane-6,8-dione is sourced from PubChem (CID 162625310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).