sodium;ethyl 2-ethyl-6-methoxyimidazo[1,2-a]pyridine-3-carboxylate;2-ethyl-6-methoxyindolizine-3-carboxylic acid;2-ethyl-6-methoxy-N-[[4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyrimidine-3-carboxamide;ethyl 3-oxopentanoate;5-methoxypyridin-2-amine;[4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;tetrabromomethane;hydroxide

C73H89Br4F6N16NaO19S2 — CID 167541928

About sodium;ethyl 2-ethyl-6-methoxyimidazo[1,2-a]pyridine-3-carboxylate;2-ethyl-6-methoxyindolizine-3-carboxylic acid;2-ethyl-6-methoxy-N-[[4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyrimidine-3-carboxamide;ethyl 3-oxopentanoate;5-methoxypyridin-2-amine;[4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;tetrabromomethane;hydroxide

sodium;ethyl 2-ethyl-6-methoxyimidazo[1,2-a]pyridine-3-carboxylate;2-ethyl-6-methoxyindolizine-3-carboxylic acid;2-ethyl-6-methoxy-N-[[4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyrimidine-3-carboxamide;ethyl 3-oxopentanoate;5-methoxypyridin-2-amine;[4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;tetrabromomethane;hydroxide (PubChem CID 167541928) has the molecular formula C73H89Br4F6N16NaO19S2 and a molecular weight of 2015.34 g/mol. Its IUPAC name is sodium;ethyl 2-ethyl-6-methoxyimidazo[1,2-a]pyridine-3-carboxylate;2-ethyl-6-methoxyindolizine-3-carboxylic acid;2-ethyl-6-methoxy-N-[[4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyrimidine-3-carboxamide;ethyl 3-oxopentanoate;5-methoxypyridin-2-amine;[4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;tetrabromomethane;hydroxide.

Molecular Properties

• Compound Name: sodium;ethyl 2-ethyl-6-methoxyimidazo[1,2-a]pyridine-3-carboxylate;2-ethyl-6-methoxyindolizine-3-carboxylic acid;2-ethyl-6-methoxy-N-[[4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyrimidine-3-carboxamide;ethyl 3-oxopentanoate;5-methoxypyridin-2-amine;[4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;tetrabromomethane;hydroxide
• PubChem CID: 167541928
• Molecular Formula: C73H89Br4F6N16NaO19S2
• Molecular Weight: 2015.34 g/mol
• Exact Mass: 2010.25
• IUPAC Name: sodium;ethyl 2-ethyl-6-methoxyimidazo[1,2-a]pyridine-3-carboxylate;2-ethyl-6-methoxyindolizine-3-carboxylic acid;2-ethyl-6-methoxy-N-[[4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyrimidine-3-carboxamide;ethyl 3-oxopentanoate;5-methoxypyridin-2-amine;[4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;tetrabromomethane;hydroxide
• SMILES: BrC(Br)(Br)Br.CCOC(=O)CC(=O)CC.CCOC(=O)c1c(CC)nc2ccc(OC)cn12.CCc1cc2ccc(OC)cn2c1C(=O)O.CCc1nc2ncc(OC)cn2c1C(=O)NCc1ccc(N2CCN(S(=O)(=O)C(F)(F)F)C(OC)=N2)cc1.COC1=NN(c2ccc(CN)cc2)CCN1S(=O)(=O)C(F)(F)F.COc1ccc(N)nc1.[Na+].[OH-]
• InChI: InChI=1S/C22H24F3N7O5S.C13H16N2O3.C12H15F3N4O3S.C12H13NO3.C7H12O3.C6H8N2O.CBr4.Na.H2O/c1-4-17-18(30-13-16(36-2)12-27-20(30)28-17)19(33)26-11-14-5-7-15(8-6-14)31-9-10-32(21(29-31)37-3)38(34,35)22(23,24)25;1-4-10-12(13(16)18-5-2)15-8-9(17-3)6-7-11(15)14-10;1-22-11-17-18(10-4-2-9(8-16)3-5-10)6-7-19(11)23(20,21)12(13,14)15;1-3-8-6-9-4-5-10(16-2)7-13(9)11(8)12(14)15;1-3-6(8)5-7(9)10-4-2;1-9-5-2-3-6(7)8-4-5;2-1(3,4)5;;/h5-8,12-13H,4,9-11H2,1-3H3,(H,26,33);6-8H,4-5H2,1-3H3;2-5H,6-8,16H2,1H3;4-7H,3H2,1-2H3,(H,14,15);3-5H2,1-2H3;2-4H,1H3,(H2,7,8);;;1H2/q;;;;;;;+1;/p-1
• InChIKey: BHQDEQVKKHZOFS-UHFFFAOYSA-M
• XLogP: 9.04
• TPSA: 444.24 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 31
• Rotatable Bonds: 22
• Heavy Atoms: 121
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2015.34
LogP ≤ 5	9.04
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	31

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of sodium;ethyl 2-ethyl-6-methoxyimidazo[1,2-a]pyridine-3-carboxylate;2-ethyl-6-methoxyindolizine-3-carboxylic acid;2-ethyl-6-methoxy-N-[[4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyrimidine-3-carboxamide;ethyl 3-oxopentanoate;5-methoxypyridin-2-amine;[4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;tetrabromomethane;hydroxide?

The IUPAC name of sodium;ethyl 2-ethyl-6-methoxyimidazo[1,2-a]pyridine-3-carboxylate;2-ethyl-6-methoxyindolizine-3-carboxylic acid;2-ethyl-6-methoxy-N-[[4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyrimidine-3-carboxamide;ethyl 3-oxopentanoate;5-methoxypyridin-2-amine;[4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;tetrabromomethane;hydroxide (CID 167541928) is sodium;ethyl 2-ethyl-6-methoxyimidazo[1,2-a]pyridine-3-carboxylate;2-ethyl-6-methoxyindolizine-3-carboxylic acid;2-ethyl-6-methoxy-N-[[4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyrimidine-3-carboxamide;ethyl 3-oxopentanoate;5-methoxypyridin-2-amine;[4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;tetrabromomethane;hydroxide.

What is the SMILES notation for sodium;ethyl 2-ethyl-6-methoxyimidazo[1,2-a]pyridine-3-carboxylate;2-ethyl-6-methoxyindolizine-3-carboxylic acid;2-ethyl-6-methoxy-N-[[4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyrimidine-3-carboxamide;ethyl 3-oxopentanoate;5-methoxypyridin-2-amine;[4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;tetrabromomethane;hydroxide?

The canonical SMILES for sodium;ethyl 2-ethyl-6-methoxyimidazo[1,2-a]pyridine-3-carboxylate;2-ethyl-6-methoxyindolizine-3-carboxylic acid;2-ethyl-6-methoxy-N-[[4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyrimidine-3-carboxamide;ethyl 3-oxopentanoate;5-methoxypyridin-2-amine;[4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;tetrabromomethane;hydroxide is BrC(Br)(Br)Br.CCOC(=O)CC(=O)CC.CCOC(=O)c1c(CC)nc2ccc(OC)cn12.CCc1cc2ccc(OC)cn2c1C(=O)O.CCc1nc2ncc(OC)cn2c1C(=O)NCc1ccc(N2CCN(S(=O)(=O)C(F)(F)F)C(OC)=N2)cc1.COC1=NN(c2ccc(CN)cc2)CCN1S(=O)(=O)C(F)(F)F.COc1ccc(N)nc1.[Na+].[OH-].

What is the InChIKey of sodium;ethyl 2-ethyl-6-methoxyimidazo[1,2-a]pyridine-3-carboxylate;2-ethyl-6-methoxyindolizine-3-carboxylic acid;2-ethyl-6-methoxy-N-[[4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyrimidine-3-carboxamide;ethyl 3-oxopentanoate;5-methoxypyridin-2-amine;[4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;tetrabromomethane;hydroxide?

The InChIKey is BHQDEQVKKHZOFS-UHFFFAOYSA-M. The full InChI is InChI=1S/C22H24F3N7O5S.C13H16N2O3.C12H15F3N4O3S.C12H13NO3.C7H12O3.C6H8N2O.CBr4.Na.H2O/c1-4-17-18(30-13-16(36-2)12-27-20(30)28-17)19(33)26-11-14-5-7-15(8-6-14)31-9-10-32(21(29-31)37-3)38(34,35)22(23,24)25;1-4-10-12(13(16)18-5-2)15-8-9(17-3)6-7-11(15)14-10;1-22-11-17-18(10-4-2-9(8-16)3-5-10)6-7-19(11)23(20,21)12(13,14)15;1-3-8-6-9-4-5-10(16-2)7-13(9)11(8)12(14)15;1-3-6(8)5-7(9)10-4-2;1-9-5-2-3-6(7)8-4-5;2-1(3,4)5;;/h5-8,12-13H,4,9-11H2,1-3H3,(H,26,33);6-8H,4-5H2,1-3H3;2-5H,6-8,16H2,1H3;4-7H,3H2,1-2H3,(H,14,15);3-5H2,1-2H3;2-4H,1H3,(H2,7,8);;;1H2/q;;;;;;;+1;/p-1.

What are the key properties of sodium;ethyl 2-ethyl-6-methoxyimidazo[1,2-a]pyridine-3-carboxylate;2-ethyl-6-methoxyindolizine-3-carboxylic acid;2-ethyl-6-methoxy-N-[[4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyrimidine-3-carboxamide;ethyl 3-oxopentanoate;5-methoxypyridin-2-amine;[4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;tetrabromomethane;hydroxide?

sodium;ethyl 2-ethyl-6-methoxyimidazo[1,2-a]pyridine-3-carboxylate;2-ethyl-6-methoxyindolizine-3-carboxylic acid;2-ethyl-6-methoxy-N-[[4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyrimidine-3-carboxamide;ethyl 3-oxopentanoate;5-methoxypyridin-2-amine;[4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;tetrabromomethane;hydroxide has a molecular weight of 2015.34 g/mol, XLogP of 9.04, 22 rotatable bonds, 4 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for sodium;ethyl 2-ethyl-6-methoxyimidazo[1,2-a]pyridine-3-carboxylate;2-ethyl-6-methoxyindolizine-3-carboxylic acid;2-ethyl-6-methoxy-N-[[4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyrimidine-3-carboxamide;ethyl 3-oxopentanoate;5-methoxypyridin-2-amine;[4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;tetrabromomethane;hydroxide is sourced from PubChem (CID 167541928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).