potassium;difluoro(methoxymethyl)borane;6-ethoxy-2-ethyl-N-[[4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;ethyl 6-bromo-2-ethylimidazo[1,2-a]pyridine-3-carboxylate;ethyl 2-ethyl-6-(methoxymethyl)imidazo[1,2-a]pyridine-3-carboxylate;2-ethyl-6-(methoxymethyl)imidazo[1,2-a]pyridine-3-carboxylic acid;[4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;fluoride;hydrochloride

C74H89BBrClF9KN16O15S2 — CID 167571482

About potassium;difluoro(methoxymethyl)borane;6-ethoxy-2-ethyl-N-[[4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;ethyl 6-bromo-2-ethylimidazo[1,2-a]pyridine-3-carboxylate;ethyl 2-ethyl-6-(methoxymethyl)imidazo[1,2-a]pyridine-3-carboxylate;2-ethyl-6-(methoxymethyl)imidazo[1,2-a]pyridine-3-carboxylic acid;[4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;fluoride;hydrochloride

potassium;difluoro(methoxymethyl)borane;6-ethoxy-2-ethyl-N-[[4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;ethyl 6-bromo-2-ethylimidazo[1,2-a]pyridine-3-carboxylate;ethyl 2-ethyl-6-(methoxymethyl)imidazo[1,2-a]pyridine-3-carboxylate;2-ethyl-6-(methoxymethyl)imidazo[1,2-a]pyridine-3-carboxylic acid;[4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;fluoride;hydrochloride (PubChem CID 167571482) has the molecular formula C74H89BBrClF9KN16O15S2 and a molecular weight of 1843.01 g/mol. Its IUPAC name is potassium;difluoro(methoxymethyl)borane;6-ethoxy-2-ethyl-N-[[4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;ethyl 6-bromo-2-ethylimidazo[1,2-a]pyridine-3-carboxylate;ethyl 2-ethyl-6-(methoxymethyl)imidazo[1,2-a]pyridine-3-carboxylate;2-ethyl-6-(methoxymethyl)imidazo[1,2-a]pyridine-3-carboxylic acid;[4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;fluoride;hydrochloride.

Molecular Properties

• Compound Name: potassium;difluoro(methoxymethyl)borane;6-ethoxy-2-ethyl-N-[[4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;ethyl 6-bromo-2-ethylimidazo[1,2-a]pyridine-3-carboxylate;ethyl 2-ethyl-6-(methoxymethyl)imidazo[1,2-a]pyridine-3-carboxylate;2-ethyl-6-(methoxymethyl)imidazo[1,2-a]pyridine-3-carboxylic acid;[4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;fluoride;hydrochloride
• PubChem CID: 167571482
• Molecular Formula: C74H89BBrClF9KN16O15S2
• Molecular Weight: 1843.01 g/mol
• Exact Mass: 1840.46
• IUPAC Name: potassium;difluoro(methoxymethyl)borane;6-ethoxy-2-ethyl-N-[[4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;ethyl 6-bromo-2-ethylimidazo[1,2-a]pyridine-3-carboxylate;ethyl 2-ethyl-6-(methoxymethyl)imidazo[1,2-a]pyridine-3-carboxylate;2-ethyl-6-(methoxymethyl)imidazo[1,2-a]pyridine-3-carboxylic acid;[4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;fluoride;hydrochloride
• SMILES: CCOC(=O)c1c(CC)nc2ccc(Br)cn12.CCOC(=O)c1c(CC)nc2ccc(COC)cn12.CCOc1ccc2nc(CC)c(C(=O)NCc3ccc(N4CCN(S(=O)(=O)C(F)(F)F)C=N4)cc3)n2c1.CCc1nc2ccc(COC)cn2c1C(=O)O.COCB(F)F.Cl.NCc1ccc(N2CCN(S(=O)(=O)C(F)(F)F)C=N2)cc1.[F-].[K+]
• InChI: InChI=1S/C23H25F3N6O4S.C14H18N2O3.C12H13BrN2O2.C12H14N2O3.C11H13F3N4O2S.C2H5BF2O.ClH.FH.K/c1-3-19-21(31-14-18(36-4-2)9-10-20(31)29-19)22(33)27-13-16-5-7-17(8-6-16)32-12-11-30(15-28-32)37(34,35)23(24,25)26;1-4-11-13(14(17)19-5-2)16-8-10(9-18-3)6-7-12(16)15-11;1-3-9-11(12(16)17-4-2)15-7-8(13)5-6-10(15)14-9;1-3-9-11(12(15)16)14-6-8(7-17-2)4-5-10(14)13-9;12-11(13,14)21(19,20)17-5-6-18(16-8-17)10-3-1-9(7-15)2-4-10;1-6-2-3(4)5;;;/h5-10,14-15H,3-4,11-13H2,1-2H3,(H,27,33);6-8H,4-5,9H2,1-3H3;5-7H,3-4H2,1-2H3;4-6H,3,7H2,1-2H3,(H,15,16);1-4,8H,5-7,15H2;2H2,1H3;2*1H;/q;;;;;;;;+1/p-1
• InChIKey: UQBSLCNMYYTAQQ-UHFFFAOYSA-M
• XLogP: 6.03
• TPSA: 357.10 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 27
• Rotatable Bonds: 25
• Heavy Atoms: 120
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1843.01
LogP ≤ 5	6.03
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of potassium;difluoro(methoxymethyl)borane;6-ethoxy-2-ethyl-N-[[4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;ethyl 6-bromo-2-ethylimidazo[1,2-a]pyridine-3-carboxylate;ethyl 2-ethyl-6-(methoxymethyl)imidazo[1,2-a]pyridine-3-carboxylate;2-ethyl-6-(methoxymethyl)imidazo[1,2-a]pyridine-3-carboxylic acid;[4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;fluoride;hydrochloride?

The IUPAC name of potassium;difluoro(methoxymethyl)borane;6-ethoxy-2-ethyl-N-[[4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;ethyl 6-bromo-2-ethylimidazo[1,2-a]pyridine-3-carboxylate;ethyl 2-ethyl-6-(methoxymethyl)imidazo[1,2-a]pyridine-3-carboxylate;2-ethyl-6-(methoxymethyl)imidazo[1,2-a]pyridine-3-carboxylic acid;[4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;fluoride;hydrochloride (CID 167571482) is potassium;difluoro(methoxymethyl)borane;6-ethoxy-2-ethyl-N-[[4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;ethyl 6-bromo-2-ethylimidazo[1,2-a]pyridine-3-carboxylate;ethyl 2-ethyl-6-(methoxymethyl)imidazo[1,2-a]pyridine-3-carboxylate;2-ethyl-6-(methoxymethyl)imidazo[1,2-a]pyridine-3-carboxylic acid;[4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;fluoride;hydrochloride.

What is the SMILES notation for potassium;difluoro(methoxymethyl)borane;6-ethoxy-2-ethyl-N-[[4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;ethyl 6-bromo-2-ethylimidazo[1,2-a]pyridine-3-carboxylate;ethyl 2-ethyl-6-(methoxymethyl)imidazo[1,2-a]pyridine-3-carboxylate;2-ethyl-6-(methoxymethyl)imidazo[1,2-a]pyridine-3-carboxylic acid;[4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;fluoride;hydrochloride?

The canonical SMILES for potassium;difluoro(methoxymethyl)borane;6-ethoxy-2-ethyl-N-[[4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;ethyl 6-bromo-2-ethylimidazo[1,2-a]pyridine-3-carboxylate;ethyl 2-ethyl-6-(methoxymethyl)imidazo[1,2-a]pyridine-3-carboxylate;2-ethyl-6-(methoxymethyl)imidazo[1,2-a]pyridine-3-carboxylic acid;[4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;fluoride;hydrochloride is CCOC(=O)c1c(CC)nc2ccc(Br)cn12.CCOC(=O)c1c(CC)nc2ccc(COC)cn12.CCOc1ccc2nc(CC)c(C(=O)NCc3ccc(N4CCN(S(=O)(=O)C(F)(F)F)C=N4)cc3)n2c1.CCc1nc2ccc(COC)cn2c1C(=O)O.COCB(F)F.Cl.NCc1ccc(N2CCN(S(=O)(=O)C(F)(F)F)C=N2)cc1.[F-].[K+].

What is the InChIKey of potassium;difluoro(methoxymethyl)borane;6-ethoxy-2-ethyl-N-[[4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;ethyl 6-bromo-2-ethylimidazo[1,2-a]pyridine-3-carboxylate;ethyl 2-ethyl-6-(methoxymethyl)imidazo[1,2-a]pyridine-3-carboxylate;2-ethyl-6-(methoxymethyl)imidazo[1,2-a]pyridine-3-carboxylic acid;[4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;fluoride;hydrochloride?

The InChIKey is UQBSLCNMYYTAQQ-UHFFFAOYSA-M. The full InChI is InChI=1S/C23H25F3N6O4S.C14H18N2O3.C12H13BrN2O2.C12H14N2O3.C11H13F3N4O2S.C2H5BF2O.ClH.FH.K/c1-3-19-21(31-14-18(36-4-2)9-10-20(31)29-19)22(33)27-13-16-5-7-17(8-6-16)32-12-11-30(15-28-32)37(34,35)23(24,25)26;1-4-11-13(14(17)19-5-2)16-8-10(9-18-3)6-7-12(16)15-11;1-3-9-11(12(16)17-4-2)15-7-8(13)5-6-10(15)14-9;1-3-9-11(12(15)16)14-6-8(7-17-2)4-5-10(14)13-9;12-11(13,14)21(19,20)17-5-6-18(16-8-17)10-3-1-9(7-15)2-4-10;1-6-2-3(4)5;;;/h5-10,14-15H,3-4,11-13H2,1-2H3,(H,27,33);6-8H,4-5,9H2,1-3H3;5-7H,3-4H2,1-2H3;4-6H,3,7H2,1-2H3,(H,15,16);1-4,8H,5-7,15H2;2H2,1H3;2*1H;/q;;;;;;;;+1/p-1.

What are the key properties of potassium;difluoro(methoxymethyl)borane;6-ethoxy-2-ethyl-N-[[4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;ethyl 6-bromo-2-ethylimidazo[1,2-a]pyridine-3-carboxylate;ethyl 2-ethyl-6-(methoxymethyl)imidazo[1,2-a]pyridine-3-carboxylate;2-ethyl-6-(methoxymethyl)imidazo[1,2-a]pyridine-3-carboxylic acid;[4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;fluoride;hydrochloride?

potassium;difluoro(methoxymethyl)borane;6-ethoxy-2-ethyl-N-[[4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;ethyl 6-bromo-2-ethylimidazo[1,2-a]pyridine-3-carboxylate;ethyl 2-ethyl-6-(methoxymethyl)imidazo[1,2-a]pyridine-3-carboxylate;2-ethyl-6-(methoxymethyl)imidazo[1,2-a]pyridine-3-carboxylic acid;[4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;fluoride;hydrochloride has a molecular weight of 1843.01 g/mol, XLogP of 6.03, 25 rotatable bonds, 3 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for potassium;difluoro(methoxymethyl)borane;6-ethoxy-2-ethyl-N-[[4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;ethyl 6-bromo-2-ethylimidazo[1,2-a]pyridine-3-carboxylate;ethyl 2-ethyl-6-(methoxymethyl)imidazo[1,2-a]pyridine-3-carboxylate;2-ethyl-6-(methoxymethyl)imidazo[1,2-a]pyridine-3-carboxylic acid;[4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;fluoride;hydrochloride is sourced from PubChem (CID 167571482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).