lithium;(3S)-6-[5-[2-(dimethylamino)ethyl]-4-methyl-2-oxo-1-pyridinyl]-3-[2-fluoro-5-(4-methoxy-2,6-dimethylphenyl)-3-methylphenyl]-8-methyl-5-oxononanoic acid;ethyl (3S)-6-[5-[2-(dimethylamino)ethyl]-4-methyl-2-oxo-1-pyridinyl]-3-[2-fluoro-5-(4-methoxy-2,6-dimethylphenyl)-3-methylphenyl]-8-methyl-5-oxononanoate;hydroxide

C74H99F2LiN4O11 — CID 157124916

IUPAClithium;(3S)-6-[5-[2-(dimethylamino)ethyl]-4-methyl-2-oxo-1-pyridinyl]-3-[2-fluoro-5-(4-methoxy-2,6-dimethylphenyl)-3-methylphenyl]-8-methyl-5-oxononanoic acid;ethyl (3S)-6-[5-[2-(dimethylamino)ethyl]-4-methyl-2-oxo-1-pyridinyl]-3-[2-fluoro-5-(4-methoxy-2,6-dimethylphenyl)-3-methylphenyl]-8-methyl-5-oxononanoate;hydroxide
SMILESCCOC(=O)C[C@H](CC(=O)C(CC(C)C)n1cc(CCN(C)C)c(C)cc1=O)c1cc(-c2c(C)cc(OC)cc2C)cc(C)c1F.COc1cc(C)c(-c2cc(C)c(F)c([C@H](CC(=O)O)CC(=O)C(CC(C)C)n3cc(CCN(C)C)c(C)cc3=O)c2)c(C)c1.[Li+].[OH-]
InChIInChI=1S/C38H51FN2O5.C36H47FN2O5.Li.H2O/c1-11-46-36(44)21-29(32-19-30(15-27(7)38(32)39)37-25(5)16-31(45-10)17-26(37)6)20-34(42)33(14-23(2)3)41-22-28(12-13-40(8)9)24(4)18-35(41)43;1-21(2)12-31(39-20-26(10-11-38(7)8)22(3)16-33(39)41)32(40)18-27(19-34(42)43)30-17-28(13-25(6)36(30)37)35-23(4)14-29(44-9)15-24(35)5;;/h15-19,22-23,29,33H,11-14,20-21H2,1-10H3;13-17,20-21,27,31H,10-12,18-19H2,1-9H3,(H,42,43);;1H2/q;;+1;/p-1/t29-,33?;27-,31?;;/m00../s1
InChIKeyAIJXPVYNMAALHL-QCQDPIGKSA-M
MW1265.56 g/mol
LogP10.92
Rot. Bonds29

About lithium;(3S)-6-[5-[2-(dimethylamino)ethyl]-4-methyl-2-oxo-1-pyridinyl]-3-[2-fluoro-5-(4-methoxy-2,6-dimethylphenyl)-3-methylphenyl]-8-methyl-5-oxononanoic acid;ethyl (3S)-6-[5-[2-(dimethylamino)ethyl]-4-methyl-2-oxo-1-pyridinyl]-3-[2-fluoro-5-(4-methoxy-2,6-dimethylphenyl)-3-methylphenyl]-8-methyl-5-oxononanoate;hydroxide

lithium;(3S)-6-[5-[2-(dimethylamino)ethyl]-4-methyl-2-oxo-1-pyridinyl]-3-[2-fluoro-5-(4-methoxy-2,6-dimethylphenyl)-3-methylphenyl]-8-methyl-5-oxononanoic acid;ethyl (3S)-6-[5-[2-(dimethylamino)ethyl]-4-methyl-2-oxo-1-pyridinyl]-3-[2-fluoro-5-(4-methoxy-2,6-dimethylphenyl)-3-methylphenyl]-8-methyl-5-oxononanoate;hydroxide (PubChem CID 157124916) has the molecular formula C74H99F2LiN4O11 and a molecular weight of 1265.56 g/mol. Its IUPAC name is lithium;(3S)-6-[5-[2-(dimethylamino)ethyl]-4-methyl-2-oxo-1-pyridinyl]-3-[2-fluoro-5-(4-methoxy-2,6-dimethylphenyl)-3-methylphenyl]-8-methyl-5-oxononanoic acid;ethyl (3S)-6-[5-[2-(dimethylamino)ethyl]-4-methyl-2-oxo-1-pyridinyl]-3-[2-fluoro-5-(4-methoxy-2,6-dimethylphenyl)-3-methylphenyl]-8-methyl-5-oxononanoate;hydroxide.

Molecular Properties

Compound Namelithium;(3S)-6-[5-[2-(dimethylamino)ethyl]-4-methyl-2-oxo-1-pyridinyl]-3-[2-fluoro-5-(4-methoxy-2,6-dimethylphenyl)-3-methylphenyl]-8-methyl-5-oxononanoic acid;ethyl (3S)-6-[5-[2-(dimethylamino)ethyl]-4-methyl-2-oxo-1-pyridinyl]-3-[2-fluoro-5-(4-methoxy-2,6-dimethylphenyl)-3-methylphenyl]-8-methyl-5-oxononanoate;hydroxide
PubChem CID157124916
Molecular FormulaC74H99F2LiN4O11
Molecular Weight1265.56 g/mol
Exact Mass1264.74
IUPAC Namelithium;(3S)-6-[5-[2-(dimethylamino)ethyl]-4-methyl-2-oxo-1-pyridinyl]-3-[2-fluoro-5-(4-methoxy-2,6-dimethylphenyl)-3-methylphenyl]-8-methyl-5-oxononanoic acid;ethyl (3S)-6-[5-[2-(dimethylamino)ethyl]-4-methyl-2-oxo-1-pyridinyl]-3-[2-fluoro-5-(4-methoxy-2,6-dimethylphenyl)-3-methylphenyl]-8-methyl-5-oxononanoate;hydroxide
SMILESCCOC(=O)C[C@H](CC(=O)C(CC(C)C)n1cc(CCN(C)C)c(C)cc1=O)c1cc(-c2c(C)cc(OC)cc2C)cc(C)c1F.COc1cc(C)c(-c2cc(C)c(F)c([C@H](CC(=O)O)CC(=O)C(CC(C)C)n3cc(CCN(C)C)c(C)cc3=O)c2)c(C)c1.[Li+].[OH-]
InChIInChI=1S/C38H51FN2O5.C36H47FN2O5.Li.H2O/c1-11-46-36(44)21-29(32-19-30(15-27(7)38(32)39)37-25(5)16-31(45-10)17-26(37)6)20-34(42)33(14-23(2)3)41-22-28(12-13-40(8)9)24(4)18-35(41)43;1-21(2)12-31(39-20-26(10-11-38(7)8)22(3)16-33(39)41)32(40)18-27(19-34(42)43)30-17-28(13-25(6)36(30)37)35-23(4)14-29(44-9)15-24(35)5;;/h15-19,22-23,29,33H,11-14,20-21H2,1-10H3;13-17,20-21,27,31H,10-12,18-19H2,1-9H3,(H,42,43);;1H2/q;;+1;/p-1/t29-,33?;27-,31?;;/m00../s1
InChIKeyAIJXPVYNMAALHL-QCQDPIGKSA-M
XLogP10.92
TPSA196.68 Ų
H-Bond Donors1
H-Bond Acceptors14
Rotatable Bonds29
Heavy Atoms92
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001265.56
LogP ≤ 510.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1014

Analyze lithium;(3S)-6-[5-[2-(dimethylamino)ethyl]-4-methyl-2-oxo-1-pyridinyl]-3-[2-fluoro-5-(4-methoxy-2,6-dimethylphenyl)-3-methylphenyl]-8-methyl-5-oxononanoic acid;ethyl (3S)-6-[5-[2-(dimethylamino)ethyl]-4-methyl-2-oxo-1-pyridinyl]-3-[2-fluoro-5-(4-methoxy-2,6-dimethylphenyl)-3-methylphenyl]-8-methyl-5-oxononanoate;hydroxide with MolForge

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Launch Full Analysis

Related Compounds

2-[5-[2-(dimethylamino)ethyl]-4-methyl-2-oxo-1-pyridinyl]-4-methylpentanoic acid;ethyl (3S)-3-amino-3-[2-fluoro-5-(4-methoxy-2,6-dimethylphenyl)-3-methylphenyl]propanoate;ethyl (3S)-6-[5-[2-(dimethylamino)ethyl]-4-methyl-2-oxo-1-pyridinyl]-3-[2-fluoro-5-(4-methoxy-2,6-dimethylphenyl)-3-methylphenyl]-8-methyl-5-oxononanoate;methane
CID 158573503
ethyl (3S)-6-[5-[2-(dimethylamino)ethyl]-3-fluoro-4-methyl-2-oxo-1-pyridinyl]-3-[2-fluoro-5-(4-fluoro-2,6-dimethylphenyl)-3-methylphenyl]-8-methyl-5-oxononanoate
CID 159311975
lithium;(3S)-3-[3-chloro-2-fluoro-5-(4-fluoro-2,6-dimethylphenyl)phenyl]-6-[5-[2-(3-methoxyazetidin-1-yl)ethyl]-4-methyl-2-oxo-1-pyridinyl]-8-methyl-5-oxononanoic acid;ethyl (3S)-3-[3-chloro-2-fluoro-5-(4-fluoro-2,6-dimethylphenyl)phenyl]-6-[5-[2-(3-methoxyazetidin-1-yl)ethyl]-4-methyl-2-oxo-1-pyridinyl]-8-methyl-5-oxononanoate;dihydroxide
CID 158774616
(3S)-3-[5-(4-cyano-2,6-dimethylphenyl)-2-fluoro-3-methylphenyl]-6-[5-[2-(dimethylamino)ethyl]-2-oxo-4-(trifluoromethyl)-1-pyridinyl]-8-methyl-5-oxononanoic acid
CID 161111886
(3S)-3-[5-(2-chloro-6-methylphenyl)-2-fluoro-3-methylphenyl]-6-[5-[2-(dimethylamino)ethyl]-2-oxo-4-(trifluoromethyl)-1-pyridinyl]-8-methyl-5-oxononanoic acid
CID 165072051
ethyl (3S)-6-[5-[2-(azetidin-1-yl)ethyl]-4-methyl-2-oxo-1-pyridinyl]-3-[2-fluoro-5-(3-methoxy-2,6-dimethylphenyl)-3-methylphenyl]-8-methyl-5-oxononanoate
CID 160965938
(3S)-3-[5-(4-cyclopropyl-2,6-dimethylphenyl)-2-fluoro-3-methylphenyl]-6-[5-[2-(dimethylamino)ethyl]-3-fluoro-4-methyl-2-oxo-1-pyridinyl]-8-methyl-5-oxononanoic acid
CID 165047664
CID 165064782
CID 165064782
(3S)-6-[5-[2-(dimethylamino)ethyl]-3-fluoro-2-oxo-1-pyridinyl]-3-[5-(2,6-dimethylphenyl)-2-fluoro-3-methylphenyl]-8-methyl-5-oxononanoic acid
CID 159293341
2-[5-[2-(dimethylamino)ethyl]-3-methyl-2-oxo-1-pyridinyl]-4-methylpentanoic acid;ethyl (3S)-3-amino-3-[5-(2,6-dimethylphenyl)-2-fluoro-3-methylphenyl]propanoate;ethyl (3S)-6-[5-[2-(dimethylamino)ethyl]-3-methyl-2-oxo-1-pyridinyl]-3-[5-(2,6-dimethylphenyl)-2-fluoro-3-methylphenyl]-8-methyl-5-oxononanoate
CID 157079717
2-[5-[2-(3,3-dimethylazetidin-1-yl)ethyl]-4-methyl-2-oxo-1-pyridinyl]-4-methylpentanoic acid;ethyl (3S)-3-amino-3-[5-(2,6-dimethylphenyl)-2-fluoro-3-methylphenyl]propanoate;ethyl (3S)-6-[5-[2-(3,3-dimethylazetidin-1-yl)ethyl]-4-methyl-2-oxo-1-pyridinyl]-3-[5-(2,6-dimethylphenyl)-2-fluoro-3-methylphenyl]-8-methyl-5-oxononanoate;sulfane
CID 165015021
lithium;(3S)-3-[3-(4-cyclopropyl-2,6-dimethylphenyl)-2,6-difluoro-5-(trifluoromethyl)phenyl]-6-[5-[3-(dimethylamino)propyl]-4-methyl-2-oxo-1-pyridinyl]-8-methyl-5-oxononanoic acid;ethyl (3S)-3-[3-(4-cyclopropyl-2,6-dimethylphenyl)-2,6-difluoro-5-(trifluoromethyl)phenyl]-6-[5-[3-(dimethylamino)propyl]-4-methyl-2-oxo-1-pyridinyl]-8-methyl-5-oxononanoate;sulfane;hydroxide;hydrate
CID 165109670

Frequently Asked Questions

What is the IUPAC name of lithium;(3S)-6-[5-[2-(dimethylamino)ethyl]-4-methyl-2-oxo-1-pyridinyl]-3-[2-fluoro-5-(4-methoxy-2,6-dimethylphenyl)-3-methylphenyl]-8-methyl-5-oxononanoic acid;ethyl (3S)-6-[5-[2-(dimethylamino)ethyl]-4-methyl-2-oxo-1-pyridinyl]-3-[2-fluoro-5-(4-methoxy-2,6-dimethylphenyl)-3-methylphenyl]-8-methyl-5-oxononanoate;hydroxide?
The IUPAC name of lithium;(3S)-6-[5-[2-(dimethylamino)ethyl]-4-methyl-2-oxo-1-pyridinyl]-3-[2-fluoro-5-(4-methoxy-2,6-dimethylphenyl)-3-methylphenyl]-8-methyl-5-oxononanoic acid;ethyl (3S)-6-[5-[2-(dimethylamino)ethyl]-4-methyl-2-oxo-1-pyridinyl]-3-[2-fluoro-5-(4-methoxy-2,6-dimethylphenyl)-3-methylphenyl]-8-methyl-5-oxononanoate;hydroxide (CID 157124916) is lithium;(3S)-6-[5-[2-(dimethylamino)ethyl]-4-methyl-2-oxo-1-pyridinyl]-3-[2-fluoro-5-(4-methoxy-2,6-dimethylphenyl)-3-methylphenyl]-8-methyl-5-oxononanoic acid;ethyl (3S)-6-[5-[2-(dimethylamino)ethyl]-4-methyl-2-oxo-1-pyridinyl]-3-[2-fluoro-5-(4-methoxy-2,6-dimethylphenyl)-3-methylphenyl]-8-methyl-5-oxononanoate;hydroxide.
What is the SMILES notation for lithium;(3S)-6-[5-[2-(dimethylamino)ethyl]-4-methyl-2-oxo-1-pyridinyl]-3-[2-fluoro-5-(4-methoxy-2,6-dimethylphenyl)-3-methylphenyl]-8-methyl-5-oxononanoic acid;ethyl (3S)-6-[5-[2-(dimethylamino)ethyl]-4-methyl-2-oxo-1-pyridinyl]-3-[2-fluoro-5-(4-methoxy-2,6-dimethylphenyl)-3-methylphenyl]-8-methyl-5-oxononanoate;hydroxide?
The canonical SMILES for lithium;(3S)-6-[5-[2-(dimethylamino)ethyl]-4-methyl-2-oxo-1-pyridinyl]-3-[2-fluoro-5-(4-methoxy-2,6-dimethylphenyl)-3-methylphenyl]-8-methyl-5-oxononanoic acid;ethyl (3S)-6-[5-[2-(dimethylamino)ethyl]-4-methyl-2-oxo-1-pyridinyl]-3-[2-fluoro-5-(4-methoxy-2,6-dimethylphenyl)-3-methylphenyl]-8-methyl-5-oxononanoate;hydroxide is CCOC(=O)C[C@H](CC(=O)C(CC(C)C)n1cc(CCN(C)C)c(C)cc1=O)c1cc(-c2c(C)cc(OC)cc2C)cc(C)c1F.COc1cc(C)c(-c2cc(C)c(F)c([C@H](CC(=O)O)CC(=O)C(CC(C)C)n3cc(CCN(C)C)c(C)cc3=O)c2)c(C)c1.[Li+].[OH-].
What is the InChIKey of lithium;(3S)-6-[5-[2-(dimethylamino)ethyl]-4-methyl-2-oxo-1-pyridinyl]-3-[2-fluoro-5-(4-methoxy-2,6-dimethylphenyl)-3-methylphenyl]-8-methyl-5-oxononanoic acid;ethyl (3S)-6-[5-[2-(dimethylamino)ethyl]-4-methyl-2-oxo-1-pyridinyl]-3-[2-fluoro-5-(4-methoxy-2,6-dimethylphenyl)-3-methylphenyl]-8-methyl-5-oxononanoate;hydroxide?
The InChIKey is AIJXPVYNMAALHL-QCQDPIGKSA-M. The full InChI is InChI=1S/C38H51FN2O5.C36H47FN2O5.Li.H2O/c1-11-46-36(44)21-29(32-19-30(15-27(7)38(32)39)37-25(5)16-31(45-10)17-26(37)6)20-34(42)33(14-23(2)3)41-22-28(12-13-40(8)9)24(4)18-35(41)43;1-21(2)12-31(39-20-26(10-11-38(7)8)22(3)16-33(39)41)32(40)18-27(19-34(42)43)30-17-28(13-25(6)36(30)37)35-23(4)14-29(44-9)15-24(35)5;;/h15-19,22-23,29,33H,11-14,20-21H2,1-10H3;13-17,20-21,27,31H,10-12,18-19H2,1-9H3,(H,42,43);;1H2/q;;+1;/p-1/t29-,33?;27-,31?;;/m00../s1.
What are the key properties of lithium;(3S)-6-[5-[2-(dimethylamino)ethyl]-4-methyl-2-oxo-1-pyridinyl]-3-[2-fluoro-5-(4-methoxy-2,6-dimethylphenyl)-3-methylphenyl]-8-methyl-5-oxononanoic acid;ethyl (3S)-6-[5-[2-(dimethylamino)ethyl]-4-methyl-2-oxo-1-pyridinyl]-3-[2-fluoro-5-(4-methoxy-2,6-dimethylphenyl)-3-methylphenyl]-8-methyl-5-oxononanoate;hydroxide?
lithium;(3S)-6-[5-[2-(dimethylamino)ethyl]-4-methyl-2-oxo-1-pyridinyl]-3-[2-fluoro-5-(4-methoxy-2,6-dimethylphenyl)-3-methylphenyl]-8-methyl-5-oxononanoic acid;ethyl (3S)-6-[5-[2-(dimethylamino)ethyl]-4-methyl-2-oxo-1-pyridinyl]-3-[2-fluoro-5-(4-methoxy-2,6-dimethylphenyl)-3-methylphenyl]-8-methyl-5-oxononanoate;hydroxide has a molecular weight of 1265.56 g/mol, XLogP of 10.92, 29 rotatable bonds, 1 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;(3S)-6-[5-[2-(dimethylamino)ethyl]-4-methyl-2-oxo-1-pyridinyl]-3-[2-fluoro-5-(4-methoxy-2,6-dimethylphenyl)-3-methylphenyl]-8-methyl-5-oxononanoic acid;ethyl (3S)-6-[5-[2-(dimethylamino)ethyl]-4-methyl-2-oxo-1-pyridinyl]-3-[2-fluoro-5-(4-methoxy-2,6-dimethylphenyl)-3-methylphenyl]-8-methyl-5-oxononanoate;hydroxide is sourced from PubChem (CID 157124916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).