dipotassium;6-chloro-2-cyclopropylimidazo[1,2-a]pyridine-3-carboxylic acid;6-chloro-2-cyclopropylimidazo[1,2-a]pyrimidine-3-carboxylic acid;6-chloro-2-cyclopropyl-N-[[4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyrimidine-3-carboxamide;5-chloropyrimidin-2-amine;ethyl 6-chloro-2-cyclopropylimidazo[1,2-a]pyridine-3-carboxylate;ethyl 3-cyclopropyl-3-oxopropanoate;hydride;oxido formate;[4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;hydrochloride

C79H81Cl6F6K2N21O17S2 — CID 167617787

About dipotassium;6-chloro-2-cyclopropylimidazo[1,2-a]pyridine-3-carboxylic acid;6-chloro-2-cyclopropylimidazo[1,2-a]pyrimidine-3-carboxylic acid;6-chloro-2-cyclopropyl-N-[[4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyrimidine-3-carboxamide;5-chloropyrimidin-2-amine;ethyl 6-chloro-2-cyclopropylimidazo[1,2-a]pyridine-3-carboxylate;ethyl 3-cyclopropyl-3-oxopropanoate;hydride;oxido formate;[4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;hydrochloride

dipotassium;6-chloro-2-cyclopropylimidazo[1,2-a]pyridine-3-carboxylic acid;6-chloro-2-cyclopropylimidazo[1,2-a]pyrimidine-3-carboxylic acid;6-chloro-2-cyclopropyl-N-[[4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyrimidine-3-carboxamide;5-chloropyrimidin-2-amine;ethyl 6-chloro-2-cyclopropylimidazo[1,2-a]pyridine-3-carboxylate;ethyl 3-cyclopropyl-3-oxopropanoate;hydride;oxido formate;[4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;hydrochloride (PubChem CID 167617787) has the molecular formula C79H81Cl6F6K2N21O17S2 and a molecular weight of 2065.68 g/mol. Its IUPAC name is dipotassium;6-chloro-2-cyclopropylimidazo[1,2-a]pyridine-3-carboxylic acid;6-chloro-2-cyclopropylimidazo[1,2-a]pyrimidine-3-carboxylic acid;6-chloro-2-cyclopropyl-N-[[4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyrimidine-3-carboxamide;5-chloropyrimidin-2-amine;ethyl 6-chloro-2-cyclopropylimidazo[1,2-a]pyridine-3-carboxylate;ethyl 3-cyclopropyl-3-oxopropanoate;hydride;oxido formate;[4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;hydrochloride.

Molecular Properties

• Compound Name: dipotassium;6-chloro-2-cyclopropylimidazo[1,2-a]pyridine-3-carboxylic acid;6-chloro-2-cyclopropylimidazo[1,2-a]pyrimidine-3-carboxylic acid;6-chloro-2-cyclopropyl-N-[[4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyrimidine-3-carboxamide;5-chloropyrimidin-2-amine;ethyl 6-chloro-2-cyclopropylimidazo[1,2-a]pyridine-3-carboxylate;ethyl 3-cyclopropyl-3-oxopropanoate;hydride;oxido formate;[4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;hydrochloride
• PubChem CID: 167617787
• Molecular Formula: C79H81Cl6F6K2N21O17S2
• Molecular Weight: 2065.68 g/mol
• Exact Mass: 2061.29
• IUPAC Name: dipotassium;6-chloro-2-cyclopropylimidazo[1,2-a]pyridine-3-carboxylic acid;6-chloro-2-cyclopropylimidazo[1,2-a]pyrimidine-3-carboxylic acid;6-chloro-2-cyclopropyl-N-[[4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyrimidine-3-carboxamide;5-chloropyrimidin-2-amine;ethyl 6-chloro-2-cyclopropylimidazo[1,2-a]pyridine-3-carboxylate;ethyl 3-cyclopropyl-3-oxopropanoate;hydride;oxido formate;[4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;hydrochloride
• SMILES: CCOC(=O)CC(=O)C1CC1.CCOC(=O)c1c(C2CC2)nc2ccc(Cl)cn12.Cl.NCc1ccc(N2CCN(S(=O)(=O)C(F)(F)F)C=N2)cc1.Nc1ncc(Cl)cn1.O=C(NCc1ccc(N2CCN(S(=O)(=O)C(F)(F)F)C=N2)cc1)c1c(C2CC2)nc2ncc(Cl)cn12.O=C(O)c1c(C2CC2)nc2ccc(Cl)cn12.O=C(O)c1c(C2CC2)nc2ncc(Cl)cn12.O=CO[O-].[H-].[K+].[K+]
• InChI: InChI=1S/C21H19ClF3N7O3S.C13H13ClN2O2.C11H9ClN2O2.C11H13F3N4O2S.C10H8ClN3O2.C8H12O3.C4H4ClN3.CH2O3.ClH.2K.H/c22-15-10-27-20-29-17(14-3-4-14)18(31(20)11-15)19(33)26-9-13-1-5-16(6-2-13)32-8-7-30(12-28-32)36(34,35)21(23,24)25;1-2-18-13(17)12-11(8-3-4-8)15-10-6-5-9(14)7-16(10)12;12-7-3-4-8-13-9(6-1-2-6)10(11(15)16)14(8)5-7;12-11(13,14)21(19,20)17-5-6-18(16-8-17)10-3-1-9(7-15)2-4-10;11-6-3-12-10-13-7(5-1-2-5)8(9(15)16)14(10)4-6;1-2-11-8(10)5-7(9)6-3-4-6;5-3-1-7-4(6)8-2-3;2-1-4-3;;;;/h1-2,5-6,10-12,14H,3-4,7-9H2,(H,26,33);5-8H,2-4H2,1H3;3-6H,1-2H2,(H,15,16);1-4,8H,5-7,15H2;3-5H,1-2H2,(H,15,16);6H,2-5H2,1H3;1-2H,(H2,6,7,8);1,3H;1H;;;/q;;;;;;;;;2*+1;-1/p-1
• InChIKey: IMVDSIAXUPBSAW-UHFFFAOYSA-M
• XLogP: 6.34
• TPSA: 501.49 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 33
• Rotatable Bonds: 21
• Heavy Atoms: 133
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2065.68
LogP ≤ 5	6.34
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of dipotassium;6-chloro-2-cyclopropylimidazo[1,2-a]pyridine-3-carboxylic acid;6-chloro-2-cyclopropylimidazo[1,2-a]pyrimidine-3-carboxylic acid;6-chloro-2-cyclopropyl-N-[[4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyrimidine-3-carboxamide;5-chloropyrimidin-2-amine;ethyl 6-chloro-2-cyclopropylimidazo[1,2-a]pyridine-3-carboxylate;ethyl 3-cyclopropyl-3-oxopropanoate;hydride;oxido formate;[4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;hydrochloride?

The IUPAC name of dipotassium;6-chloro-2-cyclopropylimidazo[1,2-a]pyridine-3-carboxylic acid;6-chloro-2-cyclopropylimidazo[1,2-a]pyrimidine-3-carboxylic acid;6-chloro-2-cyclopropyl-N-[[4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyrimidine-3-carboxamide;5-chloropyrimidin-2-amine;ethyl 6-chloro-2-cyclopropylimidazo[1,2-a]pyridine-3-carboxylate;ethyl 3-cyclopropyl-3-oxopropanoate;hydride;oxido formate;[4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;hydrochloride (CID 167617787) is dipotassium;6-chloro-2-cyclopropylimidazo[1,2-a]pyridine-3-carboxylic acid;6-chloro-2-cyclopropylimidazo[1,2-a]pyrimidine-3-carboxylic acid;6-chloro-2-cyclopropyl-N-[[4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyrimidine-3-carboxamide;5-chloropyrimidin-2-amine;ethyl 6-chloro-2-cyclopropylimidazo[1,2-a]pyridine-3-carboxylate;ethyl 3-cyclopropyl-3-oxopropanoate;hydride;oxido formate;[4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;hydrochloride.

What is the SMILES notation for dipotassium;6-chloro-2-cyclopropylimidazo[1,2-a]pyridine-3-carboxylic acid;6-chloro-2-cyclopropylimidazo[1,2-a]pyrimidine-3-carboxylic acid;6-chloro-2-cyclopropyl-N-[[4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyrimidine-3-carboxamide;5-chloropyrimidin-2-amine;ethyl 6-chloro-2-cyclopropylimidazo[1,2-a]pyridine-3-carboxylate;ethyl 3-cyclopropyl-3-oxopropanoate;hydride;oxido formate;[4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;hydrochloride?

The canonical SMILES for dipotassium;6-chloro-2-cyclopropylimidazo[1,2-a]pyridine-3-carboxylic acid;6-chloro-2-cyclopropylimidazo[1,2-a]pyrimidine-3-carboxylic acid;6-chloro-2-cyclopropyl-N-[[4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyrimidine-3-carboxamide;5-chloropyrimidin-2-amine;ethyl 6-chloro-2-cyclopropylimidazo[1,2-a]pyridine-3-carboxylate;ethyl 3-cyclopropyl-3-oxopropanoate;hydride;oxido formate;[4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;hydrochloride is CCOC(=O)CC(=O)C1CC1.CCOC(=O)c1c(C2CC2)nc2ccc(Cl)cn12.Cl.NCc1ccc(N2CCN(S(=O)(=O)C(F)(F)F)C=N2)cc1.Nc1ncc(Cl)cn1.O=C(NCc1ccc(N2CCN(S(=O)(=O)C(F)(F)F)C=N2)cc1)c1c(C2CC2)nc2ncc(Cl)cn12.O=C(O)c1c(C2CC2)nc2ccc(Cl)cn12.O=C(O)c1c(C2CC2)nc2ncc(Cl)cn12.O=CO[O-].[H-].[K+].[K+].

What is the InChIKey of dipotassium;6-chloro-2-cyclopropylimidazo[1,2-a]pyridine-3-carboxylic acid;6-chloro-2-cyclopropylimidazo[1,2-a]pyrimidine-3-carboxylic acid;6-chloro-2-cyclopropyl-N-[[4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyrimidine-3-carboxamide;5-chloropyrimidin-2-amine;ethyl 6-chloro-2-cyclopropylimidazo[1,2-a]pyridine-3-carboxylate;ethyl 3-cyclopropyl-3-oxopropanoate;hydride;oxido formate;[4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;hydrochloride?

The InChIKey is IMVDSIAXUPBSAW-UHFFFAOYSA-M. The full InChI is InChI=1S/C21H19ClF3N7O3S.C13H13ClN2O2.C11H9ClN2O2.C11H13F3N4O2S.C10H8ClN3O2.C8H12O3.C4H4ClN3.CH2O3.ClH.2K.H/c22-15-10-27-20-29-17(14-3-4-14)18(31(20)11-15)19(33)26-9-13-1-5-16(6-2-13)32-8-7-30(12-28-32)36(34,35)21(23,24)25;1-2-18-13(17)12-11(8-3-4-8)15-10-6-5-9(14)7-16(10)12;12-7-3-4-8-13-9(6-1-2-6)10(11(15)16)14(8)5-7;12-11(13,14)21(19,20)17-5-6-18(16-8-17)10-3-1-9(7-15)2-4-10;11-6-3-12-10-13-7(5-1-2-5)8(9(15)16)14(10)4-6;1-2-11-8(10)5-7(9)6-3-4-6;5-3-1-7-4(6)8-2-3;2-1-4-3;;;;/h1-2,5-6,10-12,14H,3-4,7-9H2,(H,26,33);5-8H,2-4H2,1H3;3-6H,1-2H2,(H,15,16);1-4,8H,5-7,15H2;3-5H,1-2H2,(H,15,16);6H,2-5H2,1H3;1-2H,(H2,6,7,8);1,3H;1H;;;/q;;;;;;;;;2*+1;-1/p-1.

What are the key properties of dipotassium;6-chloro-2-cyclopropylimidazo[1,2-a]pyridine-3-carboxylic acid;6-chloro-2-cyclopropylimidazo[1,2-a]pyrimidine-3-carboxylic acid;6-chloro-2-cyclopropyl-N-[[4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyrimidine-3-carboxamide;5-chloropyrimidin-2-amine;ethyl 6-chloro-2-cyclopropylimidazo[1,2-a]pyridine-3-carboxylate;ethyl 3-cyclopropyl-3-oxopropanoate;hydride;oxido formate;[4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;hydrochloride?

dipotassium;6-chloro-2-cyclopropylimidazo[1,2-a]pyridine-3-carboxylic acid;6-chloro-2-cyclopropylimidazo[1,2-a]pyrimidine-3-carboxylic acid;6-chloro-2-cyclopropyl-N-[[4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyrimidine-3-carboxamide;5-chloropyrimidin-2-amine;ethyl 6-chloro-2-cyclopropylimidazo[1,2-a]pyridine-3-carboxylate;ethyl 3-cyclopropyl-3-oxopropanoate;hydride;oxido formate;[4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;hydrochloride has a molecular weight of 2065.68 g/mol, XLogP of 6.34, 21 rotatable bonds, 5 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for dipotassium;6-chloro-2-cyclopropylimidazo[1,2-a]pyridine-3-carboxylic acid;6-chloro-2-cyclopropylimidazo[1,2-a]pyrimidine-3-carboxylic acid;6-chloro-2-cyclopropyl-N-[[4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyrimidine-3-carboxamide;5-chloropyrimidin-2-amine;ethyl 6-chloro-2-cyclopropylimidazo[1,2-a]pyridine-3-carboxylate;ethyl 3-cyclopropyl-3-oxopropanoate;hydride;oxido formate;[4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;hydrochloride is sourced from PubChem (CID 167617787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).