6-tert-butyl-3-[(4R)-2-fluoro-4-methyl-8-azaspiro[4.5]decan-8-yl]-1H-pyrazin-2-one

C18H28FN3O — CID 159619373

IUPAC6-tert-butyl-3-[(4R)-2-fluoro-4-methyl-8-azaspiro[4.5]decan-8-yl]-1H-pyrazin-2-one
SMILESC[C@@H]1CC(F)CC12CCN(c1ncc(C(C)(C)C)[nH]c1=O)CC2
InChIInChI=1S/C18H28FN3O/c1-12-9-13(19)10-18(12)5-7-22(8-6-18)15-16(23)21-14(11-20-15)17(2,3)4/h11-13H,5-10H2,1-4H3,(H,21,23)/t12-,13?/m1/s1
InChIKeyVYWMZMXPXLJTIT-PZORYLMUSA-N
MW321.44 g/mol
LogP3.42
Rot. Bonds1

About 6-tert-butyl-3-[(4R)-2-fluoro-4-methyl-8-azaspiro[4.5]decan-8-yl]-1H-pyrazin-2-one

6-tert-butyl-3-[(4R)-2-fluoro-4-methyl-8-azaspiro[4.5]decan-8-yl]-1H-pyrazin-2-one (PubChem CID 159619373) has the molecular formula C18H28FN3O and a molecular weight of 321.44 g/mol. Its IUPAC name is 6-tert-butyl-3-[(4R)-2-fluoro-4-methyl-8-azaspiro[4.5]decan-8-yl]-1H-pyrazin-2-one.

Molecular Properties

Compound Name6-tert-butyl-3-[(4R)-2-fluoro-4-methyl-8-azaspiro[4.5]decan-8-yl]-1H-pyrazin-2-one
PubChem CID159619373
Molecular FormulaC18H28FN3O
Molecular Weight321.44 g/mol
Exact Mass321.22
IUPAC Name6-tert-butyl-3-[(4R)-2-fluoro-4-methyl-8-azaspiro[4.5]decan-8-yl]-1H-pyrazin-2-one
SMILESC[C@@H]1CC(F)CC12CCN(c1ncc(C(C)(C)C)[nH]c1=O)CC2
InChIInChI=1S/C18H28FN3O/c1-12-9-13(19)10-18(12)5-7-22(8-6-18)15-16(23)21-14(11-20-15)17(2,3)4/h11-13H,5-10H2,1-4H3,(H,21,23)/t12-,13?/m1/s1
InChIKeyVYWMZMXPXLJTIT-PZORYLMUSA-N
XLogP3.42
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.44
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-3-[(4R)-2-fluoro-4-methyl-8-azaspiro[4.5]decan-8-yl]-1H-pyrazin-2-one?
The IUPAC name of 6-tert-butyl-3-[(4R)-2-fluoro-4-methyl-8-azaspiro[4.5]decan-8-yl]-1H-pyrazin-2-one (CID 159619373) is 6-tert-butyl-3-[(4R)-2-fluoro-4-methyl-8-azaspiro[4.5]decan-8-yl]-1H-pyrazin-2-one.
What is the SMILES notation for 6-tert-butyl-3-[(4R)-2-fluoro-4-methyl-8-azaspiro[4.5]decan-8-yl]-1H-pyrazin-2-one?
The canonical SMILES for 6-tert-butyl-3-[(4R)-2-fluoro-4-methyl-8-azaspiro[4.5]decan-8-yl]-1H-pyrazin-2-one is C[C@@H]1CC(F)CC12CCN(c1ncc(C(C)(C)C)[nH]c1=O)CC2.
What is the InChIKey of 6-tert-butyl-3-[(4R)-2-fluoro-4-methyl-8-azaspiro[4.5]decan-8-yl]-1H-pyrazin-2-one?
The InChIKey is VYWMZMXPXLJTIT-PZORYLMUSA-N. The full InChI is InChI=1S/C18H28FN3O/c1-12-9-13(19)10-18(12)5-7-22(8-6-18)15-16(23)21-14(11-20-15)17(2,3)4/h11-13H,5-10H2,1-4H3,(H,21,23)/t12-,13?/m1/s1.
What are the key properties of 6-tert-butyl-3-[(4R)-2-fluoro-4-methyl-8-azaspiro[4.5]decan-8-yl]-1H-pyrazin-2-one?
6-tert-butyl-3-[(4R)-2-fluoro-4-methyl-8-azaspiro[4.5]decan-8-yl]-1H-pyrazin-2-one has a molecular weight of 321.44 g/mol, XLogP of 3.42, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-3-[(4R)-2-fluoro-4-methyl-8-azaspiro[4.5]decan-8-yl]-1H-pyrazin-2-one is sourced from PubChem (CID 159619373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).