lithium;[acetyloxy(phenyl)-λ3-iodanyl] acetate;ethyl 2-ethylimidazo[1,2-a]pyridine-3-carboxylate;ethyl 2-ethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxylate;ethyl 3-oxopentanoate;2-ethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxylate;2-ethyl-N-[[4-[6-[4-(trifluoromethoxy)phenyl]-2-azaspiro[3.3]heptan-2-yl]phenyl]methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide;methane;pyridin-2-amine;[4-[6-[4-(trifluoromethoxy)phenyl]-2-azaspiro[3.3]heptan-2-yl]phenyl]methanamine;vanadium

C107H131F6ILiN14O16V+ — CID 163774441

About lithium;[acetyloxy(phenyl)-λ3-iodanyl] acetate;ethyl 2-ethylimidazo[1,2-a]pyridine-3-carboxylate;ethyl 2-ethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxylate;ethyl 3-oxopentanoate;2-ethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxylate;2-ethyl-N-[[4-[6-[4-(trifluoromethoxy)phenyl]-2-azaspiro[3.3]heptan-2-yl]phenyl]methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide;methane;pyridin-2-amine;[4-[6-[4-(trifluoromethoxy)phenyl]-2-azaspiro[3.3]heptan-2-yl]phenyl]methanamine;vanadium

lithium;[acetyloxy(phenyl)-λ3-iodanyl] acetate;ethyl 2-ethylimidazo[1,2-a]pyridine-3-carboxylate;ethyl 2-ethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxylate;ethyl 3-oxopentanoate;2-ethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxylate;2-ethyl-N-[[4-[6-[4-(trifluoromethoxy)phenyl]-2-azaspiro[3.3]heptan-2-yl]phenyl]methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide;methane;pyridin-2-amine;[4-[6-[4-(trifluoromethoxy)phenyl]-2-azaspiro[3.3]heptan-2-yl]phenyl]methanamine;vanadium (PubChem CID 163774441) has the molecular formula C107H131F6ILiN14O16V+ and a molecular weight of 2168.08 g/mol. Its IUPAC name is lithium;[acetyloxy(phenyl)-λ3-iodanyl] acetate;ethyl 2-ethylimidazo[1,2-a]pyridine-3-carboxylate;ethyl 2-ethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxylate;ethyl 3-oxopentanoate;2-ethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxylate;2-ethyl-N-[[4-[6-[4-(trifluoromethoxy)phenyl]-2-azaspiro[3.3]heptan-2-yl]phenyl]methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide;methane;pyridin-2-amine;[4-[6-[4-(trifluoromethoxy)phenyl]-2-azaspiro[3.3]heptan-2-yl]phenyl]methanamine;vanadium.

Molecular Properties

• Compound Name: lithium;[acetyloxy(phenyl)-λ3-iodanyl] acetate;ethyl 2-ethylimidazo[1,2-a]pyridine-3-carboxylate;ethyl 2-ethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxylate;ethyl 3-oxopentanoate;2-ethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxylate;2-ethyl-N-[[4-[6-[4-(trifluoromethoxy)phenyl]-2-azaspiro[3.3]heptan-2-yl]phenyl]methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide;methane;pyridin-2-amine;[4-[6-[4-(trifluoromethoxy)phenyl]-2-azaspiro[3.3]heptan-2-yl]phenyl]methanamine;vanadium
• PubChem CID: 163774441
• Molecular Formula: C107H131F6ILiN14O16V+
• Molecular Weight: 2168.08 g/mol
• Exact Mass: 2166.84
• IUPAC Name: lithium;[acetyloxy(phenyl)-λ3-iodanyl] acetate;ethyl 2-ethylimidazo[1,2-a]pyridine-3-carboxylate;ethyl 2-ethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxylate;ethyl 3-oxopentanoate;2-ethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxylate;2-ethyl-N-[[4-[6-[4-(trifluoromethoxy)phenyl]-2-azaspiro[3.3]heptan-2-yl]phenyl]methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide;methane;pyridin-2-amine;[4-[6-[4-(trifluoromethoxy)phenyl]-2-azaspiro[3.3]heptan-2-yl]phenyl]methanamine;vanadium
• SMILES: C.CC(=O)OI(OC(C)=O)c1ccccc1.CCOC(=O)c1c(CC)nc2ccccn12.CCOC(=O)c1c(CC)nc2n1CCCC2.CCc1nc2n(c1C(=O)NCc1ccc(N3CC4(CC(c5ccc(OC(F)(F)F)cc5)C4)C3)cc1)CCCC2.CCc1nc2n(c1C(=O)[O-])CCCC2.NCc1ccc(N2CC3(CC(c4ccc(OC(F)(F)F)cc4)C3)C2)cc1.Nc1ccccn1.[CH2+]CC(=O)CC(=O)OCC.[Li+].[V]
• InChI: InChI=1S/C30H33F3N4O2.C20H21F3N2O.C12H18N2O2.C12H14N2O2.C10H11IO4.C10H14N2O2.C7H11O3.C5H6N2.CH4.Li.V/c1-2-25-27(37-14-4-3-5-26(37)35-25)28(38)34-17-20-6-10-23(11-7-20)36-18-29(19-36)15-22(16-29)21-8-12-24(13-9-21)39-30(31,32)33;21-20(22,23)26-18-7-3-15(4-8-18)16-9-19(10-16)12-25(13-19)17-5-1-14(11-24)2-6-17;2*1-3-9-11(12(15)16-4-2)14-8-6-5-7-10(14)13-9;1-8(12)14-11(15-9(2)13)10-6-4-3-5-7-10;1-2-7-9(10(13)14)12-6-4-3-5-8(12)11-7;1-3-6(8)5-7(9)10-4-2;6-5-3-1-2-4-7-5;;;/h6-13,22H,2-5,14-19H2,1H3,(H,34,38);1-8,16H,9-13,24H2;3-8H2,1-2H3;5-8H,3-4H2,1-2H3;3-7H,1-2H3;2-6H2,1H3,(H,13,14);1,3-5H2,2H3;1-4H,(H2,6,7);1H4;;/q;;;;;;+1;;;+1;/p-1
• InChIKey: MJERHUCQTWGBPN-UHFFFAOYSA-M
• XLogP: 15.95
• TPSA: 378.43 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 29
• Rotatable Bonds: 26
• Heavy Atoms: 146
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2168.08
LogP ≤ 5	15.95
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of lithium;[acetyloxy(phenyl)-λ3-iodanyl] acetate;ethyl 2-ethylimidazo[1,2-a]pyridine-3-carboxylate;ethyl 2-ethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxylate;ethyl 3-oxopentanoate;2-ethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxylate;2-ethyl-N-[[4-[6-[4-(trifluoromethoxy)phenyl]-2-azaspiro[3.3]heptan-2-yl]phenyl]methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide;methane;pyridin-2-amine;[4-[6-[4-(trifluoromethoxy)phenyl]-2-azaspiro[3.3]heptan-2-yl]phenyl]methanamine;vanadium?

The IUPAC name of lithium;[acetyloxy(phenyl)-λ3-iodanyl] acetate;ethyl 2-ethylimidazo[1,2-a]pyridine-3-carboxylate;ethyl 2-ethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxylate;ethyl 3-oxopentanoate;2-ethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxylate;2-ethyl-N-[[4-[6-[4-(trifluoromethoxy)phenyl]-2-azaspiro[3.3]heptan-2-yl]phenyl]methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide;methane;pyridin-2-amine;[4-[6-[4-(trifluoromethoxy)phenyl]-2-azaspiro[3.3]heptan-2-yl]phenyl]methanamine;vanadium (CID 163774441) is lithium;[acetyloxy(phenyl)-λ3-iodanyl] acetate;ethyl 2-ethylimidazo[1,2-a]pyridine-3-carboxylate;ethyl 2-ethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxylate;ethyl 3-oxopentanoate;2-ethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxylate;2-ethyl-N-[[4-[6-[4-(trifluoromethoxy)phenyl]-2-azaspiro[3.3]heptan-2-yl]phenyl]methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide;methane;pyridin-2-amine;[4-[6-[4-(trifluoromethoxy)phenyl]-2-azaspiro[3.3]heptan-2-yl]phenyl]methanamine;vanadium.

What is the SMILES notation for lithium;[acetyloxy(phenyl)-λ3-iodanyl] acetate;ethyl 2-ethylimidazo[1,2-a]pyridine-3-carboxylate;ethyl 2-ethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxylate;ethyl 3-oxopentanoate;2-ethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxylate;2-ethyl-N-[[4-[6-[4-(trifluoromethoxy)phenyl]-2-azaspiro[3.3]heptan-2-yl]phenyl]methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide;methane;pyridin-2-amine;[4-[6-[4-(trifluoromethoxy)phenyl]-2-azaspiro[3.3]heptan-2-yl]phenyl]methanamine;vanadium?

The canonical SMILES for lithium;[acetyloxy(phenyl)-λ3-iodanyl] acetate;ethyl 2-ethylimidazo[1,2-a]pyridine-3-carboxylate;ethyl 2-ethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxylate;ethyl 3-oxopentanoate;2-ethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxylate;2-ethyl-N-[[4-[6-[4-(trifluoromethoxy)phenyl]-2-azaspiro[3.3]heptan-2-yl]phenyl]methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide;methane;pyridin-2-amine;[4-[6-[4-(trifluoromethoxy)phenyl]-2-azaspiro[3.3]heptan-2-yl]phenyl]methanamine;vanadium is C.CC(=O)OI(OC(C)=O)c1ccccc1.CCOC(=O)c1c(CC)nc2ccccn12.CCOC(=O)c1c(CC)nc2n1CCCC2.CCc1nc2n(c1C(=O)NCc1ccc(N3CC4(CC(c5ccc(OC(F)(F)F)cc5)C4)C3)cc1)CCCC2.CCc1nc2n(c1C(=O)[O-])CCCC2.NCc1ccc(N2CC3(CC(c4ccc(OC(F)(F)F)cc4)C3)C2)cc1.Nc1ccccn1.[CH2+]CC(=O)CC(=O)OCC.[Li+].[V].

What is the InChIKey of lithium;[acetyloxy(phenyl)-λ3-iodanyl] acetate;ethyl 2-ethylimidazo[1,2-a]pyridine-3-carboxylate;ethyl 2-ethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxylate;ethyl 3-oxopentanoate;2-ethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxylate;2-ethyl-N-[[4-[6-[4-(trifluoromethoxy)phenyl]-2-azaspiro[3.3]heptan-2-yl]phenyl]methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide;methane;pyridin-2-amine;[4-[6-[4-(trifluoromethoxy)phenyl]-2-azaspiro[3.3]heptan-2-yl]phenyl]methanamine;vanadium?

The InChIKey is MJERHUCQTWGBPN-UHFFFAOYSA-M. The full InChI is InChI=1S/C30H33F3N4O2.C20H21F3N2O.C12H18N2O2.C12H14N2O2.C10H11IO4.C10H14N2O2.C7H11O3.C5H6N2.CH4.Li.V/c1-2-25-27(37-14-4-3-5-26(37)35-25)28(38)34-17-20-6-10-23(11-7-20)36-18-29(19-36)15-22(16-29)21-8-12-24(13-9-21)39-30(31,32)33;21-20(22,23)26-18-7-3-15(4-8-18)16-9-19(10-16)12-25(13-19)17-5-1-14(11-24)2-6-17;2*1-3-9-11(12(15)16-4-2)14-8-6-5-7-10(14)13-9;1-8(12)14-11(15-9(2)13)10-6-4-3-5-7-10;1-2-7-9(10(13)14)12-6-4-3-5-8(12)11-7;1-3-6(8)5-7(9)10-4-2;6-5-3-1-2-4-7-5;;;/h6-13,22H,2-5,14-19H2,1H3,(H,34,38);1-8,16H,9-13,24H2;3-8H2,1-2H3;5-8H,3-4H2,1-2H3;3-7H,1-2H3;2-6H2,1H3,(H,13,14);1,3-5H2,2H3;1-4H,(H2,6,7);1H4;;/q;;;;;;+1;;;+1;/p-1.

What are the key properties of lithium;[acetyloxy(phenyl)-λ3-iodanyl] acetate;ethyl 2-ethylimidazo[1,2-a]pyridine-3-carboxylate;ethyl 2-ethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxylate;ethyl 3-oxopentanoate;2-ethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxylate;2-ethyl-N-[[4-[6-[4-(trifluoromethoxy)phenyl]-2-azaspiro[3.3]heptan-2-yl]phenyl]methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide;methane;pyridin-2-amine;[4-[6-[4-(trifluoromethoxy)phenyl]-2-azaspiro[3.3]heptan-2-yl]phenyl]methanamine;vanadium?

lithium;[acetyloxy(phenyl)-λ3-iodanyl] acetate;ethyl 2-ethylimidazo[1,2-a]pyridine-3-carboxylate;ethyl 2-ethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxylate;ethyl 3-oxopentanoate;2-ethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxylate;2-ethyl-N-[[4-[6-[4-(trifluoromethoxy)phenyl]-2-azaspiro[3.3]heptan-2-yl]phenyl]methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide;methane;pyridin-2-amine;[4-[6-[4-(trifluoromethoxy)phenyl]-2-azaspiro[3.3]heptan-2-yl]phenyl]methanamine;vanadium has a molecular weight of 2168.08 g/mol, XLogP of 15.95, 26 rotatable bonds, 3 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for lithium;[acetyloxy(phenyl)-λ3-iodanyl] acetate;ethyl 2-ethylimidazo[1,2-a]pyridine-3-carboxylate;ethyl 2-ethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxylate;ethyl 3-oxopentanoate;2-ethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxylate;2-ethyl-N-[[4-[6-[4-(trifluoromethoxy)phenyl]-2-azaspiro[3.3]heptan-2-yl]phenyl]methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide;methane;pyridin-2-amine;[4-[6-[4-(trifluoromethoxy)phenyl]-2-azaspiro[3.3]heptan-2-yl]phenyl]methanamine;vanadium is sourced from PubChem (CID 163774441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).