dilithium;[acetyloxy(phenyl)-λ3-iodanyl] acetate;1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[2-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]quinolin-6-yl]propan-1-one;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;bis(2-ethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxylate);pyridin-2-amine;[2-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]quinolin-6-yl]methanamine

C121H139ClF6ILi2N17O18 — CID 161217915

About dilithium;[acetyloxy(phenyl)-λ3-iodanyl] acetate;1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[2-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]quinolin-6-yl]propan-1-one;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;bis(2-ethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxylate);pyridin-2-amine;[2-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]quinolin-6-yl]methanamine

dilithium;[acetyloxy(phenyl)-λ3-iodanyl] acetate;1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[2-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]quinolin-6-yl]propan-1-one;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;bis(2-ethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxylate);pyridin-2-amine;[2-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]quinolin-6-yl]methanamine (PubChem CID 161217915) has the molecular formula C121H139ClF6ILi2N17O18 and a molecular weight of 2409.77 g/mol. Its IUPAC name is dilithium;[acetyloxy(phenyl)-λ3-iodanyl] acetate;1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[2-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]quinolin-6-yl]propan-1-one;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;bis(2-ethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxylate);pyridin-2-amine;[2-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]quinolin-6-yl]methanamine.

Molecular Properties

• Compound Name: dilithium;[acetyloxy(phenyl)-λ3-iodanyl] acetate;1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[2-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]quinolin-6-yl]propan-1-one;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;bis(2-ethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxylate);pyridin-2-amine;[2-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]quinolin-6-yl]methanamine
• PubChem CID: 161217915
• Molecular Formula: C121H139ClF6ILi2N17O18
• Molecular Weight: 2409.77 g/mol
• Exact Mass: 2407.94
• IUPAC Name: dilithium;[acetyloxy(phenyl)-λ3-iodanyl] acetate;1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[2-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]quinolin-6-yl]propan-1-one;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;bis(2-ethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxylate);pyridin-2-amine;[2-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]quinolin-6-yl]methanamine
• SMILES: CC(=O)OI(OC(C)=O)c1ccccc1.CCOC(=O)CC(=O)CC.CCOC(=O)c1c(CC)nc2ccccn12.CCOC(=O)c1c(CC)nc2n1CCCC2.CCc1nc2ccc(Cl)cn2c1C(=O)CCc1ccc2nc(N3CCC(c4ccc(OC(F)(F)F)cc4)CC3)ccc2c1.CCc1nc2n(c1C(=O)[O-])CCCC2.CCc1nc2n(c1C(=O)[O-])CCCC2.NCc1ccc2nc(N3CCC(c4ccc(OC(F)(F)F)cc4)CC3)ccc2c1.Nc1ccccn1.[Li+].[Li+]
• InChI: InChI=1S/C33H30ClF3N4O2.C22H22F3N3O.C12H18N2O2.C12H14N2O2.C10H11IO4.2C10H14N2O2.C7H12O3.C5H6N2.2Li/c1-2-27-32(41-20-25(34)8-14-31(41)38-27)29(42)12-4-21-3-11-28-24(19-21)7-13-30(39-28)40-17-15-23(16-18-40)22-5-9-26(10-6-22)43-33(35,36)37;23-22(24,25)29-19-5-2-16(3-6-19)17-9-11-28(12-10-17)21-8-4-18-13-15(14-26)1-7-20(18)27-21;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;2*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;;/h3,5-11,13-14,19-20,23H,2,4,12,15-18H2,1H3;1-8,13,17H,9-12,14,26H2;3-8H2,1-2H3;5-8H,3-4H2,1-2H3;3-7H,1-2H3;2*2-6H2,1H3,(H,13,14);3-5H2,1-2H3;1-4H,(H2,6,7);;/q;;;;;;;;;2*+1/p-2
• InChIKey: UXCSEJWFDVUAIN-UHFFFAOYSA-L
• XLogP: 15.40
• TPSA: 449.61 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 35
• Rotatable Bonds: 29
• Heavy Atoms: 166
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2409.77
LogP ≤ 5	15.40
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	35

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of dilithium;[acetyloxy(phenyl)-λ3-iodanyl] acetate;1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[2-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]quinolin-6-yl]propan-1-one;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;bis(2-ethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxylate);pyridin-2-amine;[2-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]quinolin-6-yl]methanamine?

The IUPAC name of dilithium;[acetyloxy(phenyl)-λ3-iodanyl] acetate;1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[2-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]quinolin-6-yl]propan-1-one;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;bis(2-ethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxylate);pyridin-2-amine;[2-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]quinolin-6-yl]methanamine (CID 161217915) is dilithium;[acetyloxy(phenyl)-λ3-iodanyl] acetate;1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[2-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]quinolin-6-yl]propan-1-one;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;bis(2-ethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxylate);pyridin-2-amine;[2-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]quinolin-6-yl]methanamine.

What is the SMILES notation for dilithium;[acetyloxy(phenyl)-λ3-iodanyl] acetate;1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[2-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]quinolin-6-yl]propan-1-one;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;bis(2-ethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxylate);pyridin-2-amine;[2-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]quinolin-6-yl]methanamine?

The canonical SMILES for dilithium;[acetyloxy(phenyl)-λ3-iodanyl] acetate;1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[2-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]quinolin-6-yl]propan-1-one;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;bis(2-ethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxylate);pyridin-2-amine;[2-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]quinolin-6-yl]methanamine is CC(=O)OI(OC(C)=O)c1ccccc1.CCOC(=O)CC(=O)CC.CCOC(=O)c1c(CC)nc2ccccn12.CCOC(=O)c1c(CC)nc2n1CCCC2.CCc1nc2ccc(Cl)cn2c1C(=O)CCc1ccc2nc(N3CCC(c4ccc(OC(F)(F)F)cc4)CC3)ccc2c1.CCc1nc2n(c1C(=O)[O-])CCCC2.CCc1nc2n(c1C(=O)[O-])CCCC2.NCc1ccc2nc(N3CCC(c4ccc(OC(F)(F)F)cc4)CC3)ccc2c1.Nc1ccccn1.[Li+].[Li+].

What is the InChIKey of dilithium;[acetyloxy(phenyl)-λ3-iodanyl] acetate;1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[2-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]quinolin-6-yl]propan-1-one;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;bis(2-ethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxylate);pyridin-2-amine;[2-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]quinolin-6-yl]methanamine?

The InChIKey is UXCSEJWFDVUAIN-UHFFFAOYSA-L. The full InChI is InChI=1S/C33H30ClF3N4O2.C22H22F3N3O.C12H18N2O2.C12H14N2O2.C10H11IO4.2C10H14N2O2.C7H12O3.C5H6N2.2Li/c1-2-27-32(41-20-25(34)8-14-31(41)38-27)29(42)12-4-21-3-11-28-24(19-21)7-13-30(39-28)40-17-15-23(16-18-40)22-5-9-26(10-6-22)43-33(35,36)37;23-22(24,25)29-19-5-2-16(3-6-19)17-9-11-28(12-10-17)21-8-4-18-13-15(14-26)1-7-20(18)27-21;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;2*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;;/h3,5-11,13-14,19-20,23H,2,4,12,15-18H2,1H3;1-8,13,17H,9-12,14,26H2;3-8H2,1-2H3;5-8H,3-4H2,1-2H3;3-7H,1-2H3;2*2-6H2,1H3,(H,13,14);3-5H2,1-2H3;1-4H,(H2,6,7);;/q;;;;;;;;;2*+1/p-2.

What are the key properties of dilithium;[acetyloxy(phenyl)-λ3-iodanyl] acetate;1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[2-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]quinolin-6-yl]propan-1-one;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;bis(2-ethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxylate);pyridin-2-amine;[2-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]quinolin-6-yl]methanamine?

dilithium;[acetyloxy(phenyl)-λ3-iodanyl] acetate;1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[2-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]quinolin-6-yl]propan-1-one;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;bis(2-ethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxylate);pyridin-2-amine;[2-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]quinolin-6-yl]methanamine has a molecular weight of 2409.77 g/mol, XLogP of 15.40, 29 rotatable bonds, 2 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for dilithium;[acetyloxy(phenyl)-λ3-iodanyl] acetate;1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[2-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]quinolin-6-yl]propan-1-one;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;bis(2-ethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxylate);pyridin-2-amine;[2-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]quinolin-6-yl]methanamine is sourced from PubChem (CID 161217915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).