lithium;ethyl 2-ethyl-6-methylimidazo[1,2-a]pyridine-3-carboxylate;2-ethyl-N-[[3-fluoro-4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-6-methylimidazo[1,2-a]pyrimidine-3-carboxamide;2-ethyl-6-methylimidazo[1,2-a]pyridine-3-carboxylate;ethyl 3-oxopentanoate;[3-fluoro-4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;2-methyloxolane;5-methylpyrimidin-2-amine;tris(yttrium)

C75H93F8LiN18O15S2Y3 — CID 167569298

About lithium;ethyl 2-ethyl-6-methylimidazo[1,2-a]pyridine-3-carboxylate;2-ethyl-N-[[3-fluoro-4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-6-methylimidazo[1,2-a]pyrimidine-3-carboxamide;2-ethyl-6-methylimidazo[1,2-a]pyridine-3-carboxylate;ethyl 3-oxopentanoate;[3-fluoro-4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;2-methyloxolane;5-methylpyrimidin-2-amine;tris(yttrium)

lithium;ethyl 2-ethyl-6-methylimidazo[1,2-a]pyridine-3-carboxylate;2-ethyl-N-[[3-fluoro-4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-6-methylimidazo[1,2-a]pyrimidine-3-carboxamide;2-ethyl-6-methylimidazo[1,2-a]pyridine-3-carboxylate;ethyl 3-oxopentanoate;[3-fluoro-4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;2-methyloxolane;5-methylpyrimidin-2-amine;tris(yttrium) (PubChem CID 167569298) has the molecular formula C75H93F8LiN18O15S2Y3 and a molecular weight of 1976.46 g/mol. Its IUPAC name is lithium;ethyl 2-ethyl-6-methylimidazo[1,2-a]pyridine-3-carboxylate;2-ethyl-N-[[3-fluoro-4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-6-methylimidazo[1,2-a]pyrimidine-3-carboxamide;2-ethyl-6-methylimidazo[1,2-a]pyridine-3-carboxylate;ethyl 3-oxopentanoate;[3-fluoro-4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;2-methyloxolane;5-methylpyrimidin-2-amine;tris(yttrium).

Molecular Properties

• Compound Name: lithium;ethyl 2-ethyl-6-methylimidazo[1,2-a]pyridine-3-carboxylate;2-ethyl-N-[[3-fluoro-4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-6-methylimidazo[1,2-a]pyrimidine-3-carboxamide;2-ethyl-6-methylimidazo[1,2-a]pyridine-3-carboxylate;ethyl 3-oxopentanoate;[3-fluoro-4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;2-methyloxolane;5-methylpyrimidin-2-amine;tris(yttrium)
• PubChem CID: 167569298
• Molecular Formula: C75H93F8LiN18O15S2Y3
• Molecular Weight: 1976.46 g/mol
• Exact Mass: 1975.37
• IUPAC Name: lithium;ethyl 2-ethyl-6-methylimidazo[1,2-a]pyridine-3-carboxylate;2-ethyl-N-[[3-fluoro-4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-6-methylimidazo[1,2-a]pyrimidine-3-carboxamide;2-ethyl-6-methylimidazo[1,2-a]pyridine-3-carboxylate;ethyl 3-oxopentanoate;[3-fluoro-4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;2-methyloxolane;5-methylpyrimidin-2-amine;tris(yttrium)
• SMILES: CC1CCCO1.CCOC(=O)CC(=O)CC.CCOC(=O)c1c(CC)nc2ccc(C)cn12.CCc1nc2ccc(C)cn2c1C(=O)[O-].CCc1nc2ncc(C)cn2c1C(=O)NCc1ccc(N2CCN(S(=O)(=O)C(F)(F)F)C(OC)=N2)c(F)c1.COC1=NN(c2ccc(CN)cc2F)CCN1S(=O)(=O)C(F)(F)F.Cc1cnc(N)nc1.[Li+].[Y].[Y].[Y]
• InChI: InChI=1S/C22H23F4N7O4S.C13H16N2O2.C12H14F4N4O3S.C11H12N2O2.C7H12O3.C5H7N3.C5H10O.Li.3Y/c1-4-16-18(31-12-13(2)10-28-20(31)29-16)19(34)27-11-14-5-6-17(15(23)9-14)32-7-8-33(21(30-32)37-3)38(35,36)22(24,25)26;1-4-10-12(13(16)17-5-2)15-8-9(3)6-7-11(15)14-10;1-23-11-18-19(10-3-2-8(7-17)6-9(10)13)4-5-20(11)24(21,22)12(14,15)16;1-3-8-10(11(14)15)13-6-7(2)4-5-9(13)12-8;1-3-6(8)5-7(9)10-4-2;1-4-2-7-5(6)8-3-4;1-5-3-2-4-6-5;;;;/h5-6,9-10,12H,4,7-8,11H2,1-3H3,(H,27,34);6-8H,4-5H2,1-3H3;2-3,6H,4-5,7,17H2,1H3;4-6H,3H2,1-2H3,(H,14,15);3-5H2,1-2H3;2-3H,1H3,(H2,6,7,8);5H,2-4H2,1H3;;;;/q;;;;;;;+1;;;/p-1
• InChIKey: KJWRWKWXKLFXRC-UHFFFAOYSA-M
• XLogP: 6.15
• TPSA: 415.16 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 30
• Rotatable Bonds: 18
• Heavy Atoms: 122
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1976.46
LogP ≤ 5	6.15
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of lithium;ethyl 2-ethyl-6-methylimidazo[1,2-a]pyridine-3-carboxylate;2-ethyl-N-[[3-fluoro-4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-6-methylimidazo[1,2-a]pyrimidine-3-carboxamide;2-ethyl-6-methylimidazo[1,2-a]pyridine-3-carboxylate;ethyl 3-oxopentanoate;[3-fluoro-4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;2-methyloxolane;5-methylpyrimidin-2-amine;tris(yttrium)?

The IUPAC name of lithium;ethyl 2-ethyl-6-methylimidazo[1,2-a]pyridine-3-carboxylate;2-ethyl-N-[[3-fluoro-4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-6-methylimidazo[1,2-a]pyrimidine-3-carboxamide;2-ethyl-6-methylimidazo[1,2-a]pyridine-3-carboxylate;ethyl 3-oxopentanoate;[3-fluoro-4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;2-methyloxolane;5-methylpyrimidin-2-amine;tris(yttrium) (CID 167569298) is lithium;ethyl 2-ethyl-6-methylimidazo[1,2-a]pyridine-3-carboxylate;2-ethyl-N-[[3-fluoro-4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-6-methylimidazo[1,2-a]pyrimidine-3-carboxamide;2-ethyl-6-methylimidazo[1,2-a]pyridine-3-carboxylate;ethyl 3-oxopentanoate;[3-fluoro-4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;2-methyloxolane;5-methylpyrimidin-2-amine;tris(yttrium).

What is the SMILES notation for lithium;ethyl 2-ethyl-6-methylimidazo[1,2-a]pyridine-3-carboxylate;2-ethyl-N-[[3-fluoro-4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-6-methylimidazo[1,2-a]pyrimidine-3-carboxamide;2-ethyl-6-methylimidazo[1,2-a]pyridine-3-carboxylate;ethyl 3-oxopentanoate;[3-fluoro-4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;2-methyloxolane;5-methylpyrimidin-2-amine;tris(yttrium)?

The canonical SMILES for lithium;ethyl 2-ethyl-6-methylimidazo[1,2-a]pyridine-3-carboxylate;2-ethyl-N-[[3-fluoro-4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-6-methylimidazo[1,2-a]pyrimidine-3-carboxamide;2-ethyl-6-methylimidazo[1,2-a]pyridine-3-carboxylate;ethyl 3-oxopentanoate;[3-fluoro-4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;2-methyloxolane;5-methylpyrimidin-2-amine;tris(yttrium) is CC1CCCO1.CCOC(=O)CC(=O)CC.CCOC(=O)c1c(CC)nc2ccc(C)cn12.CCc1nc2ccc(C)cn2c1C(=O)[O-].CCc1nc2ncc(C)cn2c1C(=O)NCc1ccc(N2CCN(S(=O)(=O)C(F)(F)F)C(OC)=N2)c(F)c1.COC1=NN(c2ccc(CN)cc2F)CCN1S(=O)(=O)C(F)(F)F.Cc1cnc(N)nc1.[Li+].[Y].[Y].[Y].

What is the InChIKey of lithium;ethyl 2-ethyl-6-methylimidazo[1,2-a]pyridine-3-carboxylate;2-ethyl-N-[[3-fluoro-4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-6-methylimidazo[1,2-a]pyrimidine-3-carboxamide;2-ethyl-6-methylimidazo[1,2-a]pyridine-3-carboxylate;ethyl 3-oxopentanoate;[3-fluoro-4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;2-methyloxolane;5-methylpyrimidin-2-amine;tris(yttrium)?

The InChIKey is KJWRWKWXKLFXRC-UHFFFAOYSA-M. The full InChI is InChI=1S/C22H23F4N7O4S.C13H16N2O2.C12H14F4N4O3S.C11H12N2O2.C7H12O3.C5H7N3.C5H10O.Li.3Y/c1-4-16-18(31-12-13(2)10-28-20(31)29-16)19(34)27-11-14-5-6-17(15(23)9-14)32-7-8-33(21(30-32)37-3)38(35,36)22(24,25)26;1-4-10-12(13(16)17-5-2)15-8-9(3)6-7-11(15)14-10;1-23-11-18-19(10-3-2-8(7-17)6-9(10)13)4-5-20(11)24(21,22)12(14,15)16;1-3-8-10(11(14)15)13-6-7(2)4-5-9(13)12-8;1-3-6(8)5-7(9)10-4-2;1-4-2-7-5(6)8-3-4;1-5-3-2-4-6-5;;;;/h5-6,9-10,12H,4,7-8,11H2,1-3H3,(H,27,34);6-8H,4-5H2,1-3H3;2-3,6H,4-5,7,17H2,1H3;4-6H,3H2,1-2H3,(H,14,15);3-5H2,1-2H3;2-3H,1H3,(H2,6,7,8);5H,2-4H2,1H3;;;;/q;;;;;;;+1;;;/p-1.

What are the key properties of lithium;ethyl 2-ethyl-6-methylimidazo[1,2-a]pyridine-3-carboxylate;2-ethyl-N-[[3-fluoro-4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-6-methylimidazo[1,2-a]pyrimidine-3-carboxamide;2-ethyl-6-methylimidazo[1,2-a]pyridine-3-carboxylate;ethyl 3-oxopentanoate;[3-fluoro-4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;2-methyloxolane;5-methylpyrimidin-2-amine;tris(yttrium)?

lithium;ethyl 2-ethyl-6-methylimidazo[1,2-a]pyridine-3-carboxylate;2-ethyl-N-[[3-fluoro-4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-6-methylimidazo[1,2-a]pyrimidine-3-carboxamide;2-ethyl-6-methylimidazo[1,2-a]pyridine-3-carboxylate;ethyl 3-oxopentanoate;[3-fluoro-4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;2-methyloxolane;5-methylpyrimidin-2-amine;tris(yttrium) has a molecular weight of 1976.46 g/mol, XLogP of 6.15, 18 rotatable bonds, 3 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for lithium;ethyl 2-ethyl-6-methylimidazo[1,2-a]pyridine-3-carboxylate;2-ethyl-N-[[3-fluoro-4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-6-methylimidazo[1,2-a]pyrimidine-3-carboxamide;2-ethyl-6-methylimidazo[1,2-a]pyridine-3-carboxylate;ethyl 3-oxopentanoate;[3-fluoro-4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;2-methyloxolane;5-methylpyrimidin-2-amine;tris(yttrium) is sourced from PubChem (CID 167569298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).