2-[5-[2-(3-fluoro-3-methylazetidin-1-yl)ethyl]-3-methyl-2-oxopyrazin-1-yl]-4-methylpentanoic acid

C17H26FN3O3 — CID 175440322

IUPAC2-[5-[2-(3-fluoro-3-methylazetidin-1-yl)ethyl]-3-methyl-2-oxopyrazin-1-yl]-4-methylpentanoic acid
SMILESCc1nc(CCN2CC(C)(F)C2)cn(C(CC(C)C)C(=O)O)c1=O
InChIInChI=1S/C17H26FN3O3/c1-11(2)7-14(16(23)24)21-8-13(19-12(3)15(21)22)5-6-20-9-17(4,18)10-20/h8,11,14H,5-7,9-10H2,1-4H3,(H,23,24)
InChIKeyAUOPNGXKBRXRAR-UHFFFAOYSA-N
MW339.41 g/mol
LogP1.81
Rot. Bonds7

About 2-[5-[2-(3-fluoro-3-methylazetidin-1-yl)ethyl]-3-methyl-2-oxopyrazin-1-yl]-4-methylpentanoic acid

2-[5-[2-(3-fluoro-3-methylazetidin-1-yl)ethyl]-3-methyl-2-oxopyrazin-1-yl]-4-methylpentanoic acid (PubChem CID 175440322) has the molecular formula C17H26FN3O3 and a molecular weight of 339.41 g/mol. Its IUPAC name is 2-[5-[2-(3-fluoro-3-methylazetidin-1-yl)ethyl]-3-methyl-2-oxopyrazin-1-yl]-4-methylpentanoic acid.

Molecular Properties

Compound Name2-[5-[2-(3-fluoro-3-methylazetidin-1-yl)ethyl]-3-methyl-2-oxopyrazin-1-yl]-4-methylpentanoic acid
PubChem CID175440322
Molecular FormulaC17H26FN3O3
Molecular Weight339.41 g/mol
Exact Mass339.20
IUPAC Name2-[5-[2-(3-fluoro-3-methylazetidin-1-yl)ethyl]-3-methyl-2-oxopyrazin-1-yl]-4-methylpentanoic acid
SMILESCc1nc(CCN2CC(C)(F)C2)cn(C(CC(C)C)C(=O)O)c1=O
InChIInChI=1S/C17H26FN3O3/c1-11(2)7-14(16(23)24)21-8-13(19-12(3)15(21)22)5-6-20-9-17(4,18)10-20/h8,11,14H,5-7,9-10H2,1-4H3,(H,23,24)
InChIKeyAUOPNGXKBRXRAR-UHFFFAOYSA-N
XLogP1.81
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.41
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[5-[2-(3-fluoro-3-methylazetidin-1-yl)ethyl]-3-methyl-2-oxopyrazin-1-yl]-4-methylpentanoic acid with MolForge

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

Launch Full Analysis

Related Compounds

(2S)-2-[5-[2-(3-fluoro-3-methylazetidin-1-yl)ethyl]-4-methyl-2-oxopyrimidin-1-yl]-4-methylpentanoic acid
CID 169085177
(2S)-2-[3-[2-[3-(fluoromethyl)azetidin-1-yl]ethyl]-5-methyl-6-oxopyridazin-1-yl]-4-methylpentanoic acid
CID 168984558
(2S)-4-methyl-2-[5-methyl-3-[2-(3-methylazetidin-1-yl)ethyl]-6-oxopyridazin-1-yl]pentanoic acid
CID 168984500
ethane;4-methyl-2-[4-methyl-2-oxo-5-(2-pyrrolidin-1-ylethyl)-1-pyridinyl]pentanoic acid
CID 156728432
(3S)-3-[[(2S)-2-[5-[2-(dimethylamino)ethyl]-3-methyl-2-oxopyrazin-1-yl]-4-methylpentanoyl]amino]-3-[2-fluoro-5-(4-fluoro-2,6-dimethylphenyl)-3-methylphenyl]propanoic acid
CID 169086491
(2S)-2-[3-[2-(3-fluoroazetidin-1-yl)ethyl]-5-methyl-6-oxopyridazin-1-yl]-4-methylpentanamide
CID 175920209
lithium;ethyl 2-[3-fluoro-5-[2-(3-fluoroazetidin-1-yl)ethyl]-2-oxo-1-pyridinyl]-4-methylpentanoate;2-[3-fluoro-5-[2-(3-fluoroazetidin-1-yl)ethyl]-2-oxo-1-pyridinyl]-4-methylpentanoic acid;hydroxide
CID 169430380
2-[5-[(3,3-difluoroazetidin-1-yl)methyl]-2-oxo-1-pyridinyl]-4-methylpentanoic acid;ethyl 2-[5-[(3,3-difluoroazetidin-1-yl)methyl]-2-oxo-1-pyridinyl]-4-methylpentanoate
CID 175781100
methyl 4-methyl-2-[5-methyl-6-oxo-3-(2-pyrrolidin-1-ylethyl)pyridazin-1-yl]pentanoate
CID 170028443
(3S)-3-[3-(2,6-dimethylphenyl)-2,6-difluoro-5-methylphenyl]-3-[[(2S)-2-[5-[2-(3-fluoro-3-methylazetidin-1-yl)ethyl]-4-methyl-2-oxopyrimidin-1-yl]-4-methylpentyl]amino]propanoic acid
CID 175440567
2-[3-(difluoromethyl)-5-[2-(dimethylamino)ethyl]-2-oxo-1-pyridinyl]-4-methylpentanoic acid
CID 139579828
ethyl (3S)-3-[5-(2,6-dimethylphenyl)-2-fluoro-3-(trifluoromethyl)phenyl]-3-[[(2S)-2-[5-[2-(3-fluoro-3-methylazetidin-1-yl)ethyl]-4-methyl-2-oxopyrimidin-1-yl]-4-methylpentanoyl]amino]propanoate
CID 169085199

Frequently Asked Questions

What is the IUPAC name of 2-[5-[2-(3-fluoro-3-methylazetidin-1-yl)ethyl]-3-methyl-2-oxopyrazin-1-yl]-4-methylpentanoic acid?
The IUPAC name of 2-[5-[2-(3-fluoro-3-methylazetidin-1-yl)ethyl]-3-methyl-2-oxopyrazin-1-yl]-4-methylpentanoic acid (CID 175440322) is 2-[5-[2-(3-fluoro-3-methylazetidin-1-yl)ethyl]-3-methyl-2-oxopyrazin-1-yl]-4-methylpentanoic acid.
What is the SMILES notation for 2-[5-[2-(3-fluoro-3-methylazetidin-1-yl)ethyl]-3-methyl-2-oxopyrazin-1-yl]-4-methylpentanoic acid?
The canonical SMILES for 2-[5-[2-(3-fluoro-3-methylazetidin-1-yl)ethyl]-3-methyl-2-oxopyrazin-1-yl]-4-methylpentanoic acid is Cc1nc(CCN2CC(C)(F)C2)cn(C(CC(C)C)C(=O)O)c1=O.
What is the InChIKey of 2-[5-[2-(3-fluoro-3-methylazetidin-1-yl)ethyl]-3-methyl-2-oxopyrazin-1-yl]-4-methylpentanoic acid?
The InChIKey is AUOPNGXKBRXRAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26FN3O3/c1-11(2)7-14(16(23)24)21-8-13(19-12(3)15(21)22)5-6-20-9-17(4,18)10-20/h8,11,14H,5-7,9-10H2,1-4H3,(H,23,24).
What are the key properties of 2-[5-[2-(3-fluoro-3-methylazetidin-1-yl)ethyl]-3-methyl-2-oxopyrazin-1-yl]-4-methylpentanoic acid?
2-[5-[2-(3-fluoro-3-methylazetidin-1-yl)ethyl]-3-methyl-2-oxopyrazin-1-yl]-4-methylpentanoic acid has a molecular weight of 339.41 g/mol, XLogP of 1.81, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[2-(3-fluoro-3-methylazetidin-1-yl)ethyl]-3-methyl-2-oxopyrazin-1-yl]-4-methylpentanoic acid is sourced from PubChem (CID 175440322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).