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

C15H18FN3O2 — CID 166098708

IUPAC2-tert-butyl-7-(5-fluoro-3-pyridinyl)-5,7-diazaspiro[3.4]octane-6,8-dione
SMILESCC(C)(C)C1CC2(C1)NC(=O)N(c1cncc(F)c1)C2=O
InChIInChI=1S/C15H18FN3O2/c1-14(2,3)9-5-15(6-9)12(20)19(13(21)18-15)11-4-10(16)7-17-8-11/h4,7-9H,5-6H2,1-3H3,(H,18,21)
InChIKeyJVGTXZWPFCLWBU-UHFFFAOYSA-N
MW291.33 g/mol
LogP2.47
Rot. Bonds1

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

2-tert-butyl-7-(5-fluoro-3-pyridinyl)-5,7-diazaspiro[3.4]octane-6,8-dione (PubChem CID 166098708) has the molecular formula C15H18FN3O2 and a molecular weight of 291.33 g/mol. Its IUPAC name is 2-tert-butyl-7-(5-fluoro-3-pyridinyl)-5,7-diazaspiro[3.4]octane-6,8-dione.

Molecular Properties

Compound Name2-tert-butyl-7-(5-fluoro-3-pyridinyl)-5,7-diazaspiro[3.4]octane-6,8-dione
PubChem CID166098708
Molecular FormulaC15H18FN3O2
Molecular Weight291.33 g/mol
Exact Mass291.14
IUPAC Name2-tert-butyl-7-(5-fluoro-3-pyridinyl)-5,7-diazaspiro[3.4]octane-6,8-dione
SMILESCC(C)(C)C1CC2(C1)NC(=O)N(c1cncc(F)c1)C2=O
InChIInChI=1S/C15H18FN3O2/c1-14(2,3)9-5-15(6-9)12(20)19(13(21)18-15)11-4-10(16)7-17-8-11/h4,7-9H,5-6H2,1-3H3,(H,18,21)
InChIKeyJVGTXZWPFCLWBU-UHFFFAOYSA-N
XLogP2.47
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.33
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-tert-butyl-7-(5-fluoro-3-pyridinyl)-5,7-diazaspiro[3.4]octane-6,8-dione with MolForge

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Launch Full Analysis

Related Compounds

2-Cyclobutyl-7-(5-fluoropyridin-3-yl)-5,7-diazaspiro[3.4]octane-6,8-dione
CID 162625310
5,5-Dimethyl-3-(pyridin-3-yl)imidazolidine-2,4-dione
CID 119049365
5-[3-[(3S)-4-(5-fluoro-3-pyridinyl)-3-methylpiperazin-1-yl]-2-methyl-3-oxopropyl]-5-methylimidazolidine-2,4-dione
CID 121437813
5-[3-[4-(5-Fluoro-3-pyridinyl)piperazin-1-yl]-3-oxopropyl]-5-methylimidazolidine-2,4-dione
CID 121437869
5-cyclopropyl-5-[3-[(3S)-4-(5-fluoro-3-pyridinyl)-3-methylpiperazin-1-yl]-2-methyl-3-oxopropyl]imidazolidine-2,4-dione
CID 121437963
5-ethyl-5-[3-[(3S)-4-(5-fluoro-3-pyridinyl)-3-methylpiperazin-1-yl]-2-methyl-3-oxopropyl]imidazolidine-2,4-dione
CID 121438000
5-cyclopropyl-5-[3-[(3S)-4-(5-fluoro-3-pyridinyl)-3-methylpiperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione
CID 121449120
5,5-Dimethyl-3-[6-(trifluoromethyl)pyridin-3-yl]imidazolidine-2,4-dione
CID 67156126
2-Tert-butyl-7-isoquinolin-4-yl-5,7-diazaspiro[3.4]octane-6,8-dione
CID 166098636
5-cyclopropyl-5-[3-[(3S)-3-methyl-4-pyridin-3-ylpiperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione
CID 121437856
5-cyclopropyl-5-[3-[(3S)-3-methyl-4-(5-methyl-3-pyridinyl)piperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione
CID 121437922
5-methyl-5-[2-methyl-3-[(3S)-3-methyl-4-pyridin-3-ylpiperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione
CID 121438036

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-7-(5-fluoro-3-pyridinyl)-5,7-diazaspiro[3.4]octane-6,8-dione?
The IUPAC name of 2-tert-butyl-7-(5-fluoro-3-pyridinyl)-5,7-diazaspiro[3.4]octane-6,8-dione (CID 166098708) is 2-tert-butyl-7-(5-fluoro-3-pyridinyl)-5,7-diazaspiro[3.4]octane-6,8-dione.
What is the SMILES notation for 2-tert-butyl-7-(5-fluoro-3-pyridinyl)-5,7-diazaspiro[3.4]octane-6,8-dione?
The canonical SMILES for 2-tert-butyl-7-(5-fluoro-3-pyridinyl)-5,7-diazaspiro[3.4]octane-6,8-dione is CC(C)(C)C1CC2(C1)NC(=O)N(c1cncc(F)c1)C2=O.
What is the InChIKey of 2-tert-butyl-7-(5-fluoro-3-pyridinyl)-5,7-diazaspiro[3.4]octane-6,8-dione?
The InChIKey is JVGTXZWPFCLWBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3O2/c1-14(2,3)9-5-15(6-9)12(20)19(13(21)18-15)11-4-10(16)7-17-8-11/h4,7-9H,5-6H2,1-3H3,(H,18,21).
What are the key properties of 2-tert-butyl-7-(5-fluoro-3-pyridinyl)-5,7-diazaspiro[3.4]octane-6,8-dione?
2-tert-butyl-7-(5-fluoro-3-pyridinyl)-5,7-diazaspiro[3.4]octane-6,8-dione has a molecular weight of 291.33 g/mol, XLogP of 2.47, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-7-(5-fluoro-3-pyridinyl)-5,7-diazaspiro[3.4]octane-6,8-dione is sourced from PubChem (CID 166098708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).