About 2-[6-chloro-3-[[2,2-difluoro-2-(1-oxidopyridin-1-ium-2-yl)ethyl]amino]-2-oxopyrazin-1-yl]-N-[[6-chloro-3-(1,2,4-triazol-1-yl)-2-pyridinyl]methyl]acetamide;2-[6-chloro-3-[[2,2-difluoro-2-(1-oxidopyridin-1-ium-2-yl)ethyl]amino]-2-oxopyrazin-1-yl]-N-[[3-(tetrazol-1-yl)-2-pyridinyl]methyl]acetamide;2-[6-chloro-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-oxopyrazin-1-yl]-N-[[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]methyl]acetamide;2-[6-chloro-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-oxopyrazin-1-yl]-N-[[2-(1-methyltetrazol-5-yl)phenyl]methyl]acetamide;2-[6-chloro-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-oxopyrazin-1-yl]-N-[[2-(1H-pyrazol-5-yl)phenyl]methyl]acetamide;2-[6-chloro-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-oxopyrazin-1-yl]-N-[[2-(2H-tetrazol-5-yl)phenyl]methyl]acetamide;2-[6-chloro-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-oxopyrazin-1-yl]-N-[[3-(tetrazol-1-yl)-2-pyridinyl]methyl]acetamide
2-[6-chloro-3-[[2,2-difluoro-2-(1-oxidopyridin-1-ium-2-yl)ethyl]amino]-2-oxopyrazin-1-yl]-N-[[6-chloro-3-(1,2,4-triazol-1-yl)-2-pyridinyl]methyl]acetamide;2-[6-chloro-3-[[2,2-difluoro-2-(1-oxidopyridin-1-ium-2-yl)ethyl]amino]-2-oxopyrazin-1-yl]-N-[[3-(tetrazol-1-yl)-2-pyridinyl]methyl]acetamide;2-[6-chloro-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-oxopyrazin-1-yl]-N-[[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]methyl]acetamide;2-[6-chloro-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-oxopyrazin-1-yl]-N-[[2-(1-methyltetrazol-5-yl)phenyl]methyl]acetamide;2-[6-chloro-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-oxopyrazin-1-yl]-N-[[2-(1H-pyrazol-5-yl)phenyl]methyl]acetamide;2-[6-chloro-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-oxopyrazin-1-yl]-N-[[2-(2H-tetrazol-5-yl)phenyl]methyl]acetamide;2-[6-chloro-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-oxopyrazin-1-yl]-N-[[3-(tetrazol-1-yl)-2-pyridinyl]methyl]acetamide (PubChem CID 161189532) has the molecular formula C149H127Cl9F14N62O16
and a molecular weight of 3627.12 g/mol. Its IUPAC name is 2-[6-chloro-3-[[2,2-difluoro-2-(1-oxidopyridin-1-ium-2-yl)ethyl]amino]-2-oxopyrazin-1-yl]-N-[[6-chloro-3-(1,2,4-triazol-1-yl)-2-pyridinyl]methyl]acetamide;2-[6-chloro-3-[[2,2-difluoro-2-(1-oxidopyridin-1-ium-2-yl)ethyl]amino]-2-oxopyrazin-1-yl]-N-[[3-(tetrazol-1-yl)-2-pyridinyl]methyl]acetamide;2-[6-chloro-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-oxopyrazin-1-yl]-N-[[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]methyl]acetamide;2-[6-chloro-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-oxopyrazin-1-yl]-N-[[2-(1-methyltetrazol-5-yl)phenyl]methyl]acetamide;2-[6-chloro-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-oxopyrazin-1-yl]-N-[[2-(1H-pyrazol-5-yl)phenyl]methyl]acetamide;2-[6-chloro-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-oxopyrazin-1-yl]-N-[[2-(2H-tetrazol-5-yl)phenyl]methyl]acetamide;2-[6-chloro-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-oxopyrazin-1-yl]-N-[[3-(tetrazol-1-yl)-2-pyridinyl]methyl]acetamide.
Frequently Asked Questions
What is the IUPAC name of 2-[6-chloro-3-[[2,2-difluoro-2-(1-oxidopyridin-1-ium-2-yl)ethyl]amino]-2-oxopyrazin-1-yl]-N-[[6-chloro-3-(1,2,4-triazol-1-yl)-2-pyridinyl]methyl]acetamide;2-[6-chloro-3-[[2,2-difluoro-2-(1-oxidopyridin-1-ium-2-yl)ethyl]amino]-2-oxopyrazin-1-yl]-N-[[3-(tetrazol-1-yl)-2-pyridinyl]methyl]acetamide;2-[6-chloro-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-oxopyrazin-1-yl]-N-[[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]methyl]acetamide;2-[6-chloro-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-oxopyrazin-1-yl]-N-[[2-(1-methyltetrazol-5-yl)phenyl]methyl]acetamide;2-[6-chloro-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-oxopyrazin-1-yl]-N-[[2-(1H-pyrazol-5-yl)phenyl]methyl]acetamide;2-[6-chloro-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-oxopyrazin-1-yl]-N-[[2-(2H-tetrazol-5-yl)phenyl]methyl]acetamide;2-[6-chloro-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-oxopyrazin-1-yl]-N-[[3-(tetrazol-1-yl)-2-pyridinyl]methyl]acetamide?
The IUPAC name of 2-[6-chloro-3-[[2,2-difluoro-2-(1-oxidopyridin-1-ium-2-yl)ethyl]amino]-2-oxopyrazin-1-yl]-N-[[6-chloro-3-(1,2,4-triazol-1-yl)-2-pyridinyl]methyl]acetamide;2-[6-chloro-3-[[2,2-difluoro-2-(1-oxidopyridin-1-ium-2-yl)ethyl]amino]-2-oxopyrazin-1-yl]-N-[[3-(tetrazol-1-yl)-2-pyridinyl]methyl]acetamide;2-[6-chloro-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-oxopyrazin-1-yl]-N-[[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]methyl]acetamide;2-[6-chloro-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-oxopyrazin-1-yl]-N-[[2-(1-methyltetrazol-5-yl)phenyl]methyl]acetamide;2-[6-chloro-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-oxopyrazin-1-yl]-N-[[2-(1H-pyrazol-5-yl)phenyl]methyl]acetamide;2-[6-chloro-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-oxopyrazin-1-yl]-N-[[2-(2H-tetrazol-5-yl)phenyl]methyl]acetamide;2-[6-chloro-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-oxopyrazin-1-yl]-N-[[3-(tetrazol-1-yl)-2-pyridinyl]methyl]acetamide (CID 161189532) is 2-[6-chloro-3-[[2,2-difluoro-2-(1-oxidopyridin-1-ium-2-yl)ethyl]amino]-2-oxopyrazin-1-yl]-N-[[6-chloro-3-(1,2,4-triazol-1-yl)-2-pyridinyl]methyl]acetamide;2-[6-chloro-3-[[2,2-difluoro-2-(1-oxidopyridin-1-ium-2-yl)ethyl]amino]-2-oxopyrazin-1-yl]-N-[[3-(tetrazol-1-yl)-2-pyridinyl]methyl]acetamide;2-[6-chloro-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-oxopyrazin-1-yl]-N-[[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]methyl]acetamide;2-[6-chloro-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-oxopyrazin-1-yl]-N-[[2-(1-methyltetrazol-5-yl)phenyl]methyl]acetamide;2-[6-chloro-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-oxopyrazin-1-yl]-N-[[2-(1H-pyrazol-5-yl)phenyl]methyl]acetamide;2-[6-chloro-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-oxopyrazin-1-yl]-N-[[2-(2H-tetrazol-5-yl)phenyl]methyl]acetamide;2-[6-chloro-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-oxopyrazin-1-yl]-N-[[3-(tetrazol-1-yl)-2-pyridinyl]methyl]acetamide.
What is the SMILES notation for 2-[6-chloro-3-[[2,2-difluoro-2-(1-oxidopyridin-1-ium-2-yl)ethyl]amino]-2-oxopyrazin-1-yl]-N-[[6-chloro-3-(1,2,4-triazol-1-yl)-2-pyridinyl]methyl]acetamide;2-[6-chloro-3-[[2,2-difluoro-2-(1-oxidopyridin-1-ium-2-yl)ethyl]amino]-2-oxopyrazin-1-yl]-N-[[3-(tetrazol-1-yl)-2-pyridinyl]methyl]acetamide;2-[6-chloro-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-oxopyrazin-1-yl]-N-[[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]methyl]acetamide;2-[6-chloro-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-oxopyrazin-1-yl]-N-[[2-(1-methyltetrazol-5-yl)phenyl]methyl]acetamide;2-[6-chloro-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-oxopyrazin-1-yl]-N-[[2-(1H-pyrazol-5-yl)phenyl]methyl]acetamide;2-[6-chloro-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-oxopyrazin-1-yl]-N-[[2-(2H-tetrazol-5-yl)phenyl]methyl]acetamide;2-[6-chloro-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-oxopyrazin-1-yl]-N-[[3-(tetrazol-1-yl)-2-pyridinyl]methyl]acetamide?
The canonical SMILES for 2-[6-chloro-3-[[2,2-difluoro-2-(1-oxidopyridin-1-ium-2-yl)ethyl]amino]-2-oxopyrazin-1-yl]-N-[[6-chloro-3-(1,2,4-triazol-1-yl)-2-pyridinyl]methyl]acetamide;2-[6-chloro-3-[[2,2-difluoro-2-(1-oxidopyridin-1-ium-2-yl)ethyl]amino]-2-oxopyrazin-1-yl]-N-[[3-(tetrazol-1-yl)-2-pyridinyl]methyl]acetamide;2-[6-chloro-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-oxopyrazin-1-yl]-N-[[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]methyl]acetamide;2-[6-chloro-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-oxopyrazin-1-yl]-N-[[2-(1-methyltetrazol-5-yl)phenyl]methyl]acetamide;2-[6-chloro-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-oxopyrazin-1-yl]-N-[[2-(1H-pyrazol-5-yl)phenyl]methyl]acetamide;2-[6-chloro-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-oxopyrazin-1-yl]-N-[[2-(2H-tetrazol-5-yl)phenyl]methyl]acetamide;2-[6-chloro-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-oxopyrazin-1-yl]-N-[[3-(tetrazol-1-yl)-2-pyridinyl]methyl]acetamide is Cn1nnnc1-c1ccccc1CNC(=O)Cn1c(Cl)cnc(NCC(F)(F)c2ccccn2)c1=O.O=C(Cn1c(Cl)cnc(NCC(F)(F)c2cccc[n+]2[O-])c1=O)NCc1nc(Cl)ccc1-n1cncn1.O=C(Cn1c(Cl)cnc(NCC(F)(F)c2cccc[n+]2[O-])c1=O)NCc1ncccc1-n1cnnn1.O=C(Cn1c(Cl)cnc(NCC(F)(F)c2ccccn2)c1=O)NCc1cc(Cl)ccc1-n1cncn1.O=C(Cn1c(Cl)cnc(NCC(F)(F)c2ccccn2)c1=O)NCc1ccccc1-c1ccn[nH]1.O=C(Cn1c(Cl)cnc(NCC(F)(F)c2ccccn2)c1=O)NCc1ccccc1-c1nn[nH]n1.O=C(Cn1c(Cl)cnc(NCC(F)(F)c2ccccn2)c1=O)NCc1ncccc1-n1cnnn1.
What is the InChIKey of 2-[6-chloro-3-[[2,2-difluoro-2-(1-oxidopyridin-1-ium-2-yl)ethyl]amino]-2-oxopyrazin-1-yl]-N-[[6-chloro-3-(1,2,4-triazol-1-yl)-2-pyridinyl]methyl]acetamide;2-[6-chloro-3-[[2,2-difluoro-2-(1-oxidopyridin-1-ium-2-yl)ethyl]amino]-2-oxopyrazin-1-yl]-N-[[3-(tetrazol-1-yl)-2-pyridinyl]methyl]acetamide;2-[6-chloro-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-oxopyrazin-1-yl]-N-[[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]methyl]acetamide;2-[6-chloro-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-oxopyrazin-1-yl]-N-[[2-(1-methyltetrazol-5-yl)phenyl]methyl]acetamide;2-[6-chloro-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-oxopyrazin-1-yl]-N-[[2-(1H-pyrazol-5-yl)phenyl]methyl]acetamide;2-[6-chloro-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-oxopyrazin-1-yl]-N-[[2-(2H-tetrazol-5-yl)phenyl]methyl]acetamide;2-[6-chloro-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-oxopyrazin-1-yl]-N-[[3-(tetrazol-1-yl)-2-pyridinyl]methyl]acetamide?
The InChIKey is UTNLEJDUEIVSCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClF2N7O2.C22H18Cl2F2N8O2.C22H20ClF2N9O2.C21H17Cl2F2N9O3.C21H18ClF2N9O2.C20H17ClF2N10O3.C20H17ClF2N10O2/c24-19-12-29-21(30-14-23(25,26)18-7-3-4-9-27-18)22(35)33(19)13-20(34)28-11-15-5-1-2-6-16(15)17-8-10-31-32-17;23-15-4-5-16(34-13-27-12-32-34)14(7-15)8-29-19(35)10-33-18(24)9-30-20(21(33)36)31-11-22(25,26)17-3-1-2-6-28-17;1-33-20(30-31-32-33)15-7-3-2-6-14(15)10-27-18(35)12-34-17(23)11-28-19(21(34)36)29-13-22(24,25)16-8-4-5-9-26-16;22-16-5-4-14(33-12-26-11-30-33)13(31-16)7-27-18(35)9-32-17(23)8-28-19(20(32)36)29-10-21(24,25)15-3-1-2-6-34(15)37;22-16-10-27-19(28-12-21(23,24)15-7-3-4-8-25-15)20(35)33(16)11-17(34)26-9-13-5-1-2-6-14(13)18-29-31-32-30-18;21-16-9-26-18(27-11-20(22,23)15-5-1-2-7-33(15)36)19(35)31(16)10-17(34)25-8-13-14(4-3-6-24-13)32-12-28-29-30-32;21-16-9-27-18(28-11-20(22,23)15-5-1-2-6-25-15)19(35)32(16)10-17(34)26-8-13-14(4-3-7-24-13)33-12-29-30-31-33/h1-10,12H,11,13-14H2,(H,28,34)(H,29,30)(H,31,32);1-7,9,12-13H,8,10-11H2,(H,29,35)(H,30,31);2-9,11H,10,12-13H2,1H3,(H,27,35)(H,28,29);1-6,8,11-12H,7,9-10H2,(H,27,35)(H,28,29);1-8,10H,9,11-12H2,(H,26,34)(H,27,28)(H,29,30,31,32);1-7,9,12H,8,10-11H2,(H,25,34)(H,26,27);1-7,9,12H,8,10-11H2,(H,26,34)(H,27,28).
What are the key properties of 2-[6-chloro-3-[[2,2-difluoro-2-(1-oxidopyridin-1-ium-2-yl)ethyl]amino]-2-oxopyrazin-1-yl]-N-[[6-chloro-3-(1,2,4-triazol-1-yl)-2-pyridinyl]methyl]acetamide;2-[6-chloro-3-[[2,2-difluoro-2-(1-oxidopyridin-1-ium-2-yl)ethyl]amino]-2-oxopyrazin-1-yl]-N-[[3-(tetrazol-1-yl)-2-pyridinyl]methyl]acetamide;2-[6-chloro-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-oxopyrazin-1-yl]-N-[[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]methyl]acetamide;2-[6-chloro-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-oxopyrazin-1-yl]-N-[[2-(1-methyltetrazol-5-yl)phenyl]methyl]acetamide;2-[6-chloro-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-oxopyrazin-1-yl]-N-[[2-(1H-pyrazol-5-yl)phenyl]methyl]acetamide;2-[6-chloro-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-oxopyrazin-1-yl]-N-[[2-(2H-tetrazol-5-yl)phenyl]methyl]acetamide;2-[6-chloro-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-oxopyrazin-1-yl]-N-[[3-(tetrazol-1-yl)-2-pyridinyl]methyl]acetamide?
2-[6-chloro-3-[[2,2-difluoro-2-(1-oxidopyridin-1-ium-2-yl)ethyl]amino]-2-oxopyrazin-1-yl]-N-[[6-chloro-3-(1,2,4-triazol-1-yl)-2-pyridinyl]methyl]acetamide;2-[6-chloro-3-[[2,2-difluoro-2-(1-oxidopyridin-1-ium-2-yl)ethyl]amino]-2-oxopyrazin-1-yl]-N-[[3-(tetrazol-1-yl)-2-pyridinyl]methyl]acetamide;2-[6-chloro-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-oxopyrazin-1-yl]-N-[[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]methyl]acetamide;2-[6-chloro-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-oxopyrazin-1-yl]-N-[[2-(1-methyltetrazol-5-yl)phenyl]methyl]acetamide;2-[6-chloro-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-oxopyrazin-1-yl]-N-[[2-(1H-pyrazol-5-yl)phenyl]methyl]acetamide;2-[6-chloro-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-oxopyrazin-1-yl]-N-[[2-(2H-tetrazol-5-yl)phenyl]methyl]acetamide;2-[6-chloro-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-oxopyrazin-1-yl]-N-[[3-(tetrazol-1-yl)-2-pyridinyl]methyl]acetamide has a molecular weight of 3627.12 g/mol, XLogP of 13.53, 63 rotatable bonds, 16 hydrogen bond donors, and 67 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-chloro-3-[[2,2-difluoro-2-(1-oxidopyridin-1-ium-2-yl)ethyl]amino]-2-oxopyrazin-1-yl]-N-[[6-chloro-3-(1,2,4-triazol-1-yl)-2-pyridinyl]methyl]acetamide;2-[6-chloro-3-[[2,2-difluoro-2-(1-oxidopyridin-1-ium-2-yl)ethyl]amino]-2-oxopyrazin-1-yl]-N-[[3-(tetrazol-1-yl)-2-pyridinyl]methyl]acetamide;2-[6-chloro-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-oxopyrazin-1-yl]-N-[[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]methyl]acetamide;2-[6-chloro-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-oxopyrazin-1-yl]-N-[[2-(1-methyltetrazol-5-yl)phenyl]methyl]acetamide;2-[6-chloro-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-oxopyrazin-1-yl]-N-[[2-(1H-pyrazol-5-yl)phenyl]methyl]acetamide;2-[6-chloro-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-oxopyrazin-1-yl]-N-[[2-(2H-tetrazol-5-yl)phenyl]methyl]acetamide;2-[6-chloro-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-oxopyrazin-1-yl]-N-[[3-(tetrazol-1-yl)-2-pyridinyl]methyl]acetamide is sourced from PubChem (CID 161189532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).