sodium;bis(6-chloro-2-(methoxymethyl)imidazo[1,2-a]pyridine-3-carboxylic acid);6-chloro-2-(methoxymethyl)-N-[[4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyrimidine-3-carboxamide;5-chloropyridin-2-amine;ethyl 6-chloro-2-(methoxymethyl)imidazo[1,2-a]pyridine-3-carboxylate;1-methoxypentane-2,4-dione;[4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;hydroxide;hydrochloride

C74H80Cl6F6N19NaO19S2 — CID 167597831

About sodium;bis(6-chloro-2-(methoxymethyl)imidazo[1,2-a]pyridine-3-carboxylic acid);6-chloro-2-(methoxymethyl)-N-[[4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyrimidine-3-carboxamide;5-chloropyridin-2-amine;ethyl 6-chloro-2-(methoxymethyl)imidazo[1,2-a]pyridine-3-carboxylate;1-methoxypentane-2,4-dione;[4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;hydroxide;hydrochloride

sodium;bis(6-chloro-2-(methoxymethyl)imidazo[1,2-a]pyridine-3-carboxylic acid);6-chloro-2-(methoxymethyl)-N-[[4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyrimidine-3-carboxamide;5-chloropyridin-2-amine;ethyl 6-chloro-2-(methoxymethyl)imidazo[1,2-a]pyridine-3-carboxylate;1-methoxypentane-2,4-dione;[4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;hydroxide;hydrochloride (PubChem CID 167597831) has the molecular formula C74H80Cl6F6N19NaO19S2 and a molecular weight of 1953.40 g/mol. Its IUPAC name is sodium;bis(6-chloro-2-(methoxymethyl)imidazo[1,2-a]pyridine-3-carboxylic acid);6-chloro-2-(methoxymethyl)-N-[[4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyrimidine-3-carboxamide;5-chloropyridin-2-amine;ethyl 6-chloro-2-(methoxymethyl)imidazo[1,2-a]pyridine-3-carboxylate;1-methoxypentane-2,4-dione;[4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;hydroxide;hydrochloride.

Molecular Properties

• Compound Name: sodium;bis(6-chloro-2-(methoxymethyl)imidazo[1,2-a]pyridine-3-carboxylic acid);6-chloro-2-(methoxymethyl)-N-[[4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyrimidine-3-carboxamide;5-chloropyridin-2-amine;ethyl 6-chloro-2-(methoxymethyl)imidazo[1,2-a]pyridine-3-carboxylate;1-methoxypentane-2,4-dione;[4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;hydroxide;hydrochloride
• PubChem CID: 167597831
• Molecular Formula: C74H80Cl6F6N19NaO19S2
• Molecular Weight: 1953.40 g/mol
• Exact Mass: 1949.33
• IUPAC Name: sodium;bis(6-chloro-2-(methoxymethyl)imidazo[1,2-a]pyridine-3-carboxylic acid);6-chloro-2-(methoxymethyl)-N-[[4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyrimidine-3-carboxamide;5-chloropyridin-2-amine;ethyl 6-chloro-2-(methoxymethyl)imidazo[1,2-a]pyridine-3-carboxylate;1-methoxypentane-2,4-dione;[4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;hydroxide;hydrochloride
• SMILES: CCOC(=O)c1c(COC)nc2ccc(Cl)cn12.COCC(=O)CC(C)=O.COCc1nc2ccc(Cl)cn2c1C(=O)O.COCc1nc2ccc(Cl)cn2c1C(=O)O.COCc1nc2ncc(Cl)cn2c1C(=O)NCc1ccc(N2CCN(S(=O)(=O)C(F)(F)F)C=N2)cc1.Cl.NCc1ccc(N2CCN(S(=O)(=O)C(F)(F)F)C=N2)cc1.Nc1ccc(Cl)cn1.[Na+].[OH-]
• InChI: InChI=1S/C20H19ClF3N7O4S.C12H13ClN2O3.C11H13F3N4O2S.2C10H9ClN2O3.C6H10O3.C5H5ClN2.ClH.Na.H2O/c1-35-11-16-17(30-10-14(21)9-26-19(30)28-16)18(32)25-8-13-2-4-15(5-3-13)31-7-6-29(12-27-31)36(33,34)20(22,23)24;1-3-18-12(16)11-9(7-17-2)14-10-5-4-8(13)6-15(10)11;12-11(13,14)21(19,20)17-5-6-18(16-8-17)10-3-1-9(7-15)2-4-10;2*1-16-5-7-9(10(14)15)13-4-6(11)2-3-8(13)12-7;1-5(7)3-6(8)4-9-2;6-4-1-2-5(7)8-3-4;;;/h2-5,9-10,12H,6-8,11H2,1H3,(H,25,32);4-6H,3,7H2,1-2H3;1-4,8H,5-7,15H2;2*2-4H,5H2,1H3,(H,14,15);3-4H2,1-2H3;1-3H,(H2,7,8);1H;;1H2/q;;;;;;;;+1;/p-1
• InChIKey: SESDYTACZOAVOG-UHFFFAOYSA-M
• XLogP: 8.16
• TPSA: 493.27 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 33
• Rotatable Bonds: 24
• Heavy Atoms: 127
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1953.40
LogP ≤ 5	8.16
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of sodium;bis(6-chloro-2-(methoxymethyl)imidazo[1,2-a]pyridine-3-carboxylic acid);6-chloro-2-(methoxymethyl)-N-[[4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyrimidine-3-carboxamide;5-chloropyridin-2-amine;ethyl 6-chloro-2-(methoxymethyl)imidazo[1,2-a]pyridine-3-carboxylate;1-methoxypentane-2,4-dione;[4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;hydroxide;hydrochloride?

The IUPAC name of sodium;bis(6-chloro-2-(methoxymethyl)imidazo[1,2-a]pyridine-3-carboxylic acid);6-chloro-2-(methoxymethyl)-N-[[4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyrimidine-3-carboxamide;5-chloropyridin-2-amine;ethyl 6-chloro-2-(methoxymethyl)imidazo[1,2-a]pyridine-3-carboxylate;1-methoxypentane-2,4-dione;[4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;hydroxide;hydrochloride (CID 167597831) is sodium;bis(6-chloro-2-(methoxymethyl)imidazo[1,2-a]pyridine-3-carboxylic acid);6-chloro-2-(methoxymethyl)-N-[[4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyrimidine-3-carboxamide;5-chloropyridin-2-amine;ethyl 6-chloro-2-(methoxymethyl)imidazo[1,2-a]pyridine-3-carboxylate;1-methoxypentane-2,4-dione;[4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;hydroxide;hydrochloride.

What is the SMILES notation for sodium;bis(6-chloro-2-(methoxymethyl)imidazo[1,2-a]pyridine-3-carboxylic acid);6-chloro-2-(methoxymethyl)-N-[[4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyrimidine-3-carboxamide;5-chloropyridin-2-amine;ethyl 6-chloro-2-(methoxymethyl)imidazo[1,2-a]pyridine-3-carboxylate;1-methoxypentane-2,4-dione;[4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;hydroxide;hydrochloride?

The canonical SMILES for sodium;bis(6-chloro-2-(methoxymethyl)imidazo[1,2-a]pyridine-3-carboxylic acid);6-chloro-2-(methoxymethyl)-N-[[4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyrimidine-3-carboxamide;5-chloropyridin-2-amine;ethyl 6-chloro-2-(methoxymethyl)imidazo[1,2-a]pyridine-3-carboxylate;1-methoxypentane-2,4-dione;[4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;hydroxide;hydrochloride is CCOC(=O)c1c(COC)nc2ccc(Cl)cn12.COCC(=O)CC(C)=O.COCc1nc2ccc(Cl)cn2c1C(=O)O.COCc1nc2ccc(Cl)cn2c1C(=O)O.COCc1nc2ncc(Cl)cn2c1C(=O)NCc1ccc(N2CCN(S(=O)(=O)C(F)(F)F)C=N2)cc1.Cl.NCc1ccc(N2CCN(S(=O)(=O)C(F)(F)F)C=N2)cc1.Nc1ccc(Cl)cn1.[Na+].[OH-].

What is the InChIKey of sodium;bis(6-chloro-2-(methoxymethyl)imidazo[1,2-a]pyridine-3-carboxylic acid);6-chloro-2-(methoxymethyl)-N-[[4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyrimidine-3-carboxamide;5-chloropyridin-2-amine;ethyl 6-chloro-2-(methoxymethyl)imidazo[1,2-a]pyridine-3-carboxylate;1-methoxypentane-2,4-dione;[4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;hydroxide;hydrochloride?

The InChIKey is SESDYTACZOAVOG-UHFFFAOYSA-M. The full InChI is InChI=1S/C20H19ClF3N7O4S.C12H13ClN2O3.C11H13F3N4O2S.2C10H9ClN2O3.C6H10O3.C5H5ClN2.ClH.Na.H2O/c1-35-11-16-17(30-10-14(21)9-26-19(30)28-16)18(32)25-8-13-2-4-15(5-3-13)31-7-6-29(12-27-31)36(33,34)20(22,23)24;1-3-18-12(16)11-9(7-17-2)14-10-5-4-8(13)6-15(10)11;12-11(13,14)21(19,20)17-5-6-18(16-8-17)10-3-1-9(7-15)2-4-10;2*1-16-5-7-9(10(14)15)13-4-6(11)2-3-8(13)12-7;1-5(7)3-6(8)4-9-2;6-4-1-2-5(7)8-3-4;;;/h2-5,9-10,12H,6-8,11H2,1H3,(H,25,32);4-6H,3,7H2,1-2H3;1-4,8H,5-7,15H2;2*2-4H,5H2,1H3,(H,14,15);3-4H2,1-2H3;1-3H,(H2,7,8);1H;;1H2/q;;;;;;;;+1;/p-1.

What are the key properties of sodium;bis(6-chloro-2-(methoxymethyl)imidazo[1,2-a]pyridine-3-carboxylic acid);6-chloro-2-(methoxymethyl)-N-[[4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyrimidine-3-carboxamide;5-chloropyridin-2-amine;ethyl 6-chloro-2-(methoxymethyl)imidazo[1,2-a]pyridine-3-carboxylate;1-methoxypentane-2,4-dione;[4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;hydroxide;hydrochloride?

sodium;bis(6-chloro-2-(methoxymethyl)imidazo[1,2-a]pyridine-3-carboxylic acid);6-chloro-2-(methoxymethyl)-N-[[4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyrimidine-3-carboxamide;5-chloropyridin-2-amine;ethyl 6-chloro-2-(methoxymethyl)imidazo[1,2-a]pyridine-3-carboxylate;1-methoxypentane-2,4-dione;[4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;hydroxide;hydrochloride has a molecular weight of 1953.40 g/mol, XLogP of 8.16, 24 rotatable bonds, 5 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for sodium;bis(6-chloro-2-(methoxymethyl)imidazo[1,2-a]pyridine-3-carboxylic acid);6-chloro-2-(methoxymethyl)-N-[[4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyrimidine-3-carboxamide;5-chloropyridin-2-amine;ethyl 6-chloro-2-(methoxymethyl)imidazo[1,2-a]pyridine-3-carboxylate;1-methoxypentane-2,4-dione;[4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;hydroxide;hydrochloride is sourced from PubChem (CID 167597831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).