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

C18H29FN4O — CID 159619374

IUPAC3-[(4R)-4-amino-2-fluoro-2-methyl-8-azaspiro[4.5]decan-8-yl]-6-tert-butyl-1H-pyrazin-2-one
SMILESCC1(F)C[C@@H](N)C2(CCN(c3ncc(C(C)(C)C)[nH]c3=O)CC2)C1
InChIInChI=1S/C18H29FN4O/c1-16(2,3)13-10-21-14(15(24)22-13)23-7-5-18(6-8-23)11-17(4,19)9-12(18)20/h10,12H,5-9,11,20H2,1-4H3,(H,22,24)/t12-,17?/m1/s1
InChIKeyZFFDRDHJPNMHPS-MTATWXBHSA-N
MW336.46 g/mol
LogP2.50
Rot. Bonds1

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

3-[(4R)-4-amino-2-fluoro-2-methyl-8-azaspiro[4.5]decan-8-yl]-6-tert-butyl-1H-pyrazin-2-one (PubChem CID 159619374) has the molecular formula C18H29FN4O and a molecular weight of 336.46 g/mol. Its IUPAC name is 3-[(4R)-4-amino-2-fluoro-2-methyl-8-azaspiro[4.5]decan-8-yl]-6-tert-butyl-1H-pyrazin-2-one.

Molecular Properties

Compound Name3-[(4R)-4-amino-2-fluoro-2-methyl-8-azaspiro[4.5]decan-8-yl]-6-tert-butyl-1H-pyrazin-2-one
PubChem CID159619374
Molecular FormulaC18H29FN4O
Molecular Weight336.46 g/mol
Exact Mass336.23
IUPAC Name3-[(4R)-4-amino-2-fluoro-2-methyl-8-azaspiro[4.5]decan-8-yl]-6-tert-butyl-1H-pyrazin-2-one
SMILESCC1(F)C[C@@H](N)C2(CCN(c3ncc(C(C)(C)C)[nH]c3=O)CC2)C1
InChIInChI=1S/C18H29FN4O/c1-16(2,3)13-10-21-14(15(24)22-13)23-7-5-18(6-8-23)11-17(4,19)9-12(18)20/h10,12H,5-9,11,20H2,1-4H3,(H,22,24)/t12-,17?/m1/s1
InChIKeyZFFDRDHJPNMHPS-MTATWXBHSA-N
XLogP2.50
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.46
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[(4R)-4-amino-2-fluoro-2-methyl-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-2-methyl-8-azaspiro[4.5]decan-8-yl]-6-tert-butyl-1H-pyrazin-2-one?
The IUPAC name of 3-[(4R)-4-amino-2-fluoro-2-methyl-8-azaspiro[4.5]decan-8-yl]-6-tert-butyl-1H-pyrazin-2-one (CID 159619374) is 3-[(4R)-4-amino-2-fluoro-2-methyl-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-2-methyl-8-azaspiro[4.5]decan-8-yl]-6-tert-butyl-1H-pyrazin-2-one?
The canonical SMILES for 3-[(4R)-4-amino-2-fluoro-2-methyl-8-azaspiro[4.5]decan-8-yl]-6-tert-butyl-1H-pyrazin-2-one is CC1(F)C[C@@H](N)C2(CCN(c3ncc(C(C)(C)C)[nH]c3=O)CC2)C1.
What is the InChIKey of 3-[(4R)-4-amino-2-fluoro-2-methyl-8-azaspiro[4.5]decan-8-yl]-6-tert-butyl-1H-pyrazin-2-one?
The InChIKey is ZFFDRDHJPNMHPS-MTATWXBHSA-N. The full InChI is InChI=1S/C18H29FN4O/c1-16(2,3)13-10-21-14(15(24)22-13)23-7-5-18(6-8-23)11-17(4,19)9-12(18)20/h10,12H,5-9,11,20H2,1-4H3,(H,22,24)/t12-,17?/m1/s1.
What are the key properties of 3-[(4R)-4-amino-2-fluoro-2-methyl-8-azaspiro[4.5]decan-8-yl]-6-tert-butyl-1H-pyrazin-2-one?
3-[(4R)-4-amino-2-fluoro-2-methyl-8-azaspiro[4.5]decan-8-yl]-6-tert-butyl-1H-pyrazin-2-one has a molecular weight of 336.46 g/mol, XLogP of 2.50, 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-2-methyl-8-azaspiro[4.5]decan-8-yl]-6-tert-butyl-1H-pyrazin-2-one is sourced from PubChem (CID 159619374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).