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

C17H27FN4O — CID 139525958

IUPAC3-[(4R)-4-amino-2-fluoro-8-azaspiro[4.5]decan-8-yl]-6-tert-butyl-1H-pyrazin-2-one
SMILESCC(C)(C)c1cnc(N2CCC3(CC2)CC(F)C[C@H]3N)c(=O)[nH]1
InChIInChI=1S/C17H27FN4O/c1-16(2,3)13-10-20-14(15(23)21-13)22-6-4-17(5-7-22)9-11(18)8-12(17)19/h10-12H,4-9,19H2,1-3H3,(H,21,23)/t11?,12-/m1/s1
InChIKeyUPLKIGMLBRSMGX-PIJUOVFKSA-N
MW322.43 g/mol
LogP2.11
Rot. Bonds1

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

3-[(4R)-4-amino-2-fluoro-8-azaspiro[4.5]decan-8-yl]-6-tert-butyl-1H-pyrazin-2-one (PubChem CID 139525958) has the molecular formula C17H27FN4O and a molecular weight of 322.43 g/mol. Its IUPAC name is 3-[(4R)-4-amino-2-fluoro-8-azaspiro[4.5]decan-8-yl]-6-tert-butyl-1H-pyrazin-2-one.

Molecular Properties

Compound Name3-[(4R)-4-amino-2-fluoro-8-azaspiro[4.5]decan-8-yl]-6-tert-butyl-1H-pyrazin-2-one
PubChem CID139525958
Molecular FormulaC17H27FN4O
Molecular Weight322.43 g/mol
Exact Mass322.22
IUPAC Name3-[(4R)-4-amino-2-fluoro-8-azaspiro[4.5]decan-8-yl]-6-tert-butyl-1H-pyrazin-2-one
SMILESCC(C)(C)c1cnc(N2CCC3(CC2)CC(F)C[C@H]3N)c(=O)[nH]1
InChIInChI=1S/C17H27FN4O/c1-16(2,3)13-10-20-14(15(23)21-13)22-6-4-17(5-7-22)9-11(18)8-12(17)19/h10-12H,4-9,19H2,1-3H3,(H,21,23)/t11?,12-/m1/s1
InChIKeyUPLKIGMLBRSMGX-PIJUOVFKSA-N
XLogP2.11
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.43
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[(4R)-4-amino-2-fluoro-8-azaspiro[4.5]decan-8-yl]-6-tert-butyl-1H-pyrazin-2-one?
The IUPAC name of 3-[(4R)-4-amino-2-fluoro-8-azaspiro[4.5]decan-8-yl]-6-tert-butyl-1H-pyrazin-2-one (CID 139525958) is 3-[(4R)-4-amino-2-fluoro-8-azaspiro[4.5]decan-8-yl]-6-tert-butyl-1H-pyrazin-2-one.
What is the SMILES notation for 3-[(4R)-4-amino-2-fluoro-8-azaspiro[4.5]decan-8-yl]-6-tert-butyl-1H-pyrazin-2-one?
The canonical SMILES for 3-[(4R)-4-amino-2-fluoro-8-azaspiro[4.5]decan-8-yl]-6-tert-butyl-1H-pyrazin-2-one is CC(C)(C)c1cnc(N2CCC3(CC2)CC(F)C[C@H]3N)c(=O)[nH]1.
What is the InChIKey of 3-[(4R)-4-amino-2-fluoro-8-azaspiro[4.5]decan-8-yl]-6-tert-butyl-1H-pyrazin-2-one?
The InChIKey is UPLKIGMLBRSMGX-PIJUOVFKSA-N. The full InChI is InChI=1S/C17H27FN4O/c1-16(2,3)13-10-20-14(15(23)21-13)22-6-4-17(5-7-22)9-11(18)8-12(17)19/h10-12H,4-9,19H2,1-3H3,(H,21,23)/t11?,12-/m1/s1.
What are the key properties of 3-[(4R)-4-amino-2-fluoro-8-azaspiro[4.5]decan-8-yl]-6-tert-butyl-1H-pyrazin-2-one?
3-[(4R)-4-amino-2-fluoro-8-azaspiro[4.5]decan-8-yl]-6-tert-butyl-1H-pyrazin-2-one has a molecular weight of 322.43 g/mol, XLogP of 2.11, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4R)-4-amino-2-fluoro-8-azaspiro[4.5]decan-8-yl]-6-tert-butyl-1H-pyrazin-2-one is sourced from PubChem (CID 139525958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).