8-(5-fluoro-2-pyridinyl)-1,3-bis(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione

C20H29FN4O2 — CID 166617513

IUPAC8-(5-fluoro-2-pyridinyl)-1,3-bis(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCC(C)CN1C(=O)N(CC(C)C)C2(CCN(c3ccc(F)cn3)CC2)C1=O
InChIInChI=1S/C20H29FN4O2/c1-14(2)12-24-18(26)20(25(19(24)27)13-15(3)4)7-9-23(10-8-20)17-6-5-16(21)11-22-17/h5-6,11,14-15H,7-10,12-13H2,1-4H3
InChIKeyMPCOVKVVJAPQQI-UHFFFAOYSA-N
MW376.48 g/mol
LogP3.14
Rot. Bonds5

About 8-(5-fluoro-2-pyridinyl)-1,3-bis(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione

8-(5-fluoro-2-pyridinyl)-1,3-bis(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione (PubChem CID 166617513) has the molecular formula C20H29FN4O2 and a molecular weight of 376.48 g/mol. Its IUPAC name is 8-(5-fluoro-2-pyridinyl)-1,3-bis(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name8-(5-fluoro-2-pyridinyl)-1,3-bis(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
PubChem CID166617513
Molecular FormulaC20H29FN4O2
Molecular Weight376.48 g/mol
Exact Mass376.23
IUPAC Name8-(5-fluoro-2-pyridinyl)-1,3-bis(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCC(C)CN1C(=O)N(CC(C)C)C2(CCN(c3ccc(F)cn3)CC2)C1=O
InChIInChI=1S/C20H29FN4O2/c1-14(2)12-24-18(26)20(25(19(24)27)13-15(3)4)7-9-23(10-8-20)17-6-5-16(21)11-22-17/h5-6,11,14-15H,7-10,12-13H2,1-4H3
InChIKeyMPCOVKVVJAPQQI-UHFFFAOYSA-N
XLogP3.14
TPSA56.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 8-(5-fluoro-2-pyridinyl)-1,3-bis(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione with MolForge

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Related Compounds

N-methyl-2-[1-(2-methylpropyl)-8-(6-methylpyridazin-3-yl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide
CID 166622544
3-(2-hydroxyethyl)-8-[6-(methylamino)pyrazin-2-yl]-1-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 166616059
3-ethyl-8-(3-fluoropyridine-4-carbonyl)-1-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 166623583
8-(4-aminopyrimidin-2-yl)-3-(cyclopropylmethyl)-1-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 166615837
3-(2-hydroxyethyl)-1-(2-methylpropyl)-8-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 166614281
8-[(2S)-butan-2-yl]-1-(2-methylpropyl)-3-(pyridin-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26222211
8-[(2,3-difluorophenyl)methyl]-1-(3-methylbutyl)-3-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26134386
8-[(2R)-2-methylbutyl]-1-(2-methylpropyl)-3-(pyridin-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26137380
8-(2,2-dimethylpropyl)-1-(2-methylpropyl)-3-(pyridin-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26139802
8-(5-fluoropyrimidin-2-yl)-2-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-1-one
CID 97449706
(1R)-1-[1-(5-fluoro-2-pyridinyl)piperidin-4-yl]ethanol
CID 100670630
8-[2-(2,4-difluorophenyl)acetyl]-3-methyl-1-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 165428635

Frequently Asked Questions

What is the IUPAC name of 8-(5-fluoro-2-pyridinyl)-1,3-bis(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 8-(5-fluoro-2-pyridinyl)-1,3-bis(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione (CID 166617513) is 8-(5-fluoro-2-pyridinyl)-1,3-bis(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 8-(5-fluoro-2-pyridinyl)-1,3-bis(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 8-(5-fluoro-2-pyridinyl)-1,3-bis(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione is CC(C)CN1C(=O)N(CC(C)C)C2(CCN(c3ccc(F)cn3)CC2)C1=O.
What is the InChIKey of 8-(5-fluoro-2-pyridinyl)-1,3-bis(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The InChIKey is MPCOVKVVJAPQQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29FN4O2/c1-14(2)12-24-18(26)20(25(19(24)27)13-15(3)4)7-9-23(10-8-20)17-6-5-16(21)11-22-17/h5-6,11,14-15H,7-10,12-13H2,1-4H3.
What are the key properties of 8-(5-fluoro-2-pyridinyl)-1,3-bis(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
8-(5-fluoro-2-pyridinyl)-1,3-bis(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione has a molecular weight of 376.48 g/mol, XLogP of 3.14, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(5-fluoro-2-pyridinyl)-1,3-bis(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 166617513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).