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

C34H49F4LiN4O7 — CID 169430380

IUPAClithium;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
SMILESCC(C)CC(C(=O)O)n1cc(CCN2CC(F)C2)cc(F)c1=O.CCOC(=O)C(CC(C)C)n1cc(CCN2CC(F)C2)cc(F)c1=O.[Li+].[OH-]
InChIInChI=1S/C18H26F2N2O3.C16H22F2N2O3.Li.H2O/c1-4-25-18(24)16(7-12(2)3)22-9-13(8-15(20)17(22)23)5-6-21-10-14(19)11-21;1-10(2)5-14(16(22)23)20-7-11(6-13(18)15(20)21)3-4-19-8-12(17)9-19;;/h8-9,12,14,16H,4-7,10-11H2,1-3H3;6-7,10,12,14H,3-5,8-9H2,1-2H3,(H,22,23);;1H2/q;;+1;/p-1
InChIKeyUPXJPRXFTWGEHY-UHFFFAOYSA-M
MW708.72 g/mol
LogP1.02
Rot. Bonds15

About 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

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 (PubChem CID 169430380) has the molecular formula C34H49F4LiN4O7 and a molecular weight of 708.72 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Namelithium;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
PubChem CID169430380
Molecular FormulaC34H49F4LiN4O7
Molecular Weight708.72 g/mol
Exact Mass708.37
IUPAC Namelithium;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
SMILESCC(C)CC(C(=O)O)n1cc(CCN2CC(F)C2)cc(F)c1=O.CCOC(=O)C(CC(C)C)n1cc(CCN2CC(F)C2)cc(F)c1=O.[Li+].[OH-]
InChIInChI=1S/C18H26F2N2O3.C16H22F2N2O3.Li.H2O/c1-4-25-18(24)16(7-12(2)3)22-9-13(8-15(20)17(22)23)5-6-21-10-14(19)11-21;1-10(2)5-14(16(22)23)20-7-11(6-13(18)15(20)21)3-4-19-8-12(17)9-19;;/h8-9,12,14,16H,4-7,10-11H2,1-3H3;6-7,10,12,14H,3-5,8-9H2,1-2H3,(H,22,23);;1H2/q;;+1;/p-1
InChIKeyUPXJPRXFTWGEHY-UHFFFAOYSA-M
XLogP1.02
TPSA144.08 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds15
Heavy Atoms50
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500708.72
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 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 with MolForge

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Launch Full Analysis

Related Compounds

lithium;ethyl 2-[5-[(3-fluoroazetidin-1-yl)methyl]-2-oxo-1-pyridinyl]-4-methylpentanoate;2-[5-[(3-fluoroazetidin-1-yl)methyl]-2-oxo-1-pyridinyl]-4-methylpentanoic acid;hydroxide
CID 162037650
ethyl 2-[3-fluoro-5-[2-(3-fluoroazetidin-1-yl)ethyl]-2-oxo-1-pyridinyl]-3-methylbutanoate;ethyl 2-[3-fluoro-2-oxo-5-(2-oxoethyl)-1-pyridinyl]-3-methylbutanoate;3-fluoroazetidine;hydrochloride
CID 165070786
ethyl 4-methyl-2-[5-[2-(3-methylazetidin-1-yl)ethyl]-2-oxo-1-pyridinyl]pentanoate
CID 146183465
(3S)-6-[3-fluoro-5-[2-(3-fluoroazetidin-1-yl)ethyl]-2-oxo-1-pyridinyl]-3-[2-fluoro-5-(4-fluoro-2,6-dimethylphenyl)-3-methylphenyl]-8-methyl-5-oxononanoic acid
CID 160761611
lithium;2-[5-[2-(azetidin-1-yl)ethyl]-4-methyl-2-oxo-1-pyridinyl]-4-methylpentanoic acid;ethyl 2-[5-[2-(azetidin-1-yl)ethyl]-4-methyl-2-oxo-1-pyridinyl]-4-methylpentanoate;hydroxide
CID 159653011
2-[5-[(3-fluoroazetidin-1-yl)methyl]-2-oxo-1-pyridinyl]-4-methylpentanoic acid
CID 139579845
ethyl 2-(4-bromo-5-fluoro-2-oxo-1-pyridinyl)-4-methylpentanoate
CID 139579791
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
(2S)-2-[3-[2-(3-fluoroazetidin-1-yl)ethyl]-5-methyl-6-oxopyridazin-1-yl]-4-methylpentanamide
CID 175920209
2-(5-bromo-2-fluorophenyl)-2-[5-[2-(3-fluoroazetidin-1-yl)ethyl]-3-methyl-2-oxo-1-pyridinyl]acetic acid
CID 171825995
(3S)-3-[5-(2,6-dimethylphenyl)-2-fluoro-3-methylphenyl]-3-[[(2R)-2-[3-fluoro-5-[2-[3-(methoxymethyl)azetidin-1-yl]ethyl]-2-oxo-1-pyridinyl]-4-methylpentanoyl]amino]propanoic acid
CID 176788828
(3R)-3-[5-(2,6-dimethylphenyl)-2-fluoro-3-methylphenyl]-3-[[(2R)-2-[3-fluoro-5-[2-[3-(methoxymethyl)azetidin-1-yl]ethyl]-2-oxo-1-pyridinyl]-4-methylpentanoyl]amino]propanoic acid
CID 176789074

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)CC(C(=O)O)n1cc(CCN2CC(F)C2)cc(F)c1=O.CCOC(=O)C(CC(C)C)n1cc(CCN2CC(F)C2)cc(F)c1=O.[Li+].[OH-].
What is the InChIKey of 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?
The InChIKey is UPXJPRXFTWGEHY-UHFFFAOYSA-M. The full InChI is InChI=1S/C18H26F2N2O3.C16H22F2N2O3.Li.H2O/c1-4-25-18(24)16(7-12(2)3)22-9-13(8-15(20)17(22)23)5-6-21-10-14(19)11-21;1-10(2)5-14(16(22)23)20-7-11(6-13(18)15(20)21)3-4-19-8-12(17)9-19;;/h8-9,12,14,16H,4-7,10-11H2,1-3H3;6-7,10,12,14H,3-5,8-9H2,1-2H3,(H,22,23);;1H2/q;;+1;/p-1.
What are the key properties of 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?
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 has a molecular weight of 708.72 g/mol, XLogP of 1.02, 15 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 169430380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).