1-[2-[(6-amino-2-methyl-3-pyridinyl)methylamino]ethyl]-6-chloro-3-[[2,2-difluoro-2-(1-oxidopyridin-1-ium-2-yl)ethyl]amino]pyrazin-2-one;1-[2-[(6-amino-2-methyl-3-pyridinyl)methylamino]ethyl]-6-chloro-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]pyrazin-2-one;6-chloro-1-[2-[(3-chlorophenyl)methylamino]ethyl]-3-[[2,2-difluoro-2-(1-oxidopyridin-1-ium-2-yl)ethyl]amino]pyrazin-2-one;6-chloro-1-[2-[[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]methylamino]ethyl]-3-(2-pyridin-2-ylethylamino)pyrazin-2-one;1-[2-[(5-chloro-2H-indazol-3-yl)methylamino]ethyl]-3-[(2,2-difluoro-2-piperidin-2-ylethyl)amino]-6-methylpyrazin-2-one;1-[2-[(5-chloro-2H-indazol-3-yl)methylamino]ethyl]-3-[2-(4,4-difluoropiperidin-1-yl)ethylamino]-6-methylpyrazin-2-one;1-[2-[(5-chloro-2H-indazol-3-yl)methylamino]ethyl]-6-methyl-3-(pyridin-2-ylmethylamino)pyrazin-2-one;6-chloro-3-(2-pyridin-2-ylethylamino)-1-[2-(pyridin-2-ylmethylamino)ethyl]pyrazin-2-one

C166H184Cl10F10N54O10 — CID 161217957

IUPAC1-[2-[(6-amino-2-methyl-3-pyridinyl)methylamino]ethyl]-6-chloro-3-[[2,2-difluoro-2-(1-oxidopyridin-1-ium-2-yl)ethyl]amino]pyrazin-2-one;1-[2-[(6-amino-2-methyl-3-pyridinyl)methylamino]ethyl]-6-chloro-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]pyrazin-2-one;6-chloro-1-[2-[(3-chlorophenyl)methylamino]ethyl]-3-[[2,2-difluoro-2-(1-oxidopyridin-1-ium-2-yl)ethyl]amino]pyrazin-2-one;6-chloro-1-[2-[[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]methylamino]ethyl]-3-(2-pyridin-2-ylethylamino)pyrazin-2-one;1-[2-[(5-chloro-2H-indazol-3-yl)methylamino]ethyl]-3-[(2,2-difluoro-2-piperidin-2-ylethyl)amino]-6-methylpyrazin-2-one;1-[2-[(5-chloro-2H-indazol-3-yl)methylamino]ethyl]-3-[2-(4,4-difluoropiperidin-1-yl)ethylamino]-6-methylpyrazin-2-one;1-[2-[(5-chloro-2H-indazol-3-yl)methylamino]ethyl]-6-methyl-3-(pyridin-2-ylmethylamino)pyrazin-2-one;6-chloro-3-(2-pyridin-2-ylethylamino)-1-[2-(pyridin-2-ylmethylamino)ethyl]pyrazin-2-one
SMILESCc1cnc(NCC(F)(F)C2CCCCN2)c(=O)n1CCNCc1[nH]nc2ccc(Cl)cc12.Cc1cnc(NCCN2CCC(F)(F)CC2)c(=O)n1CCNCc1[nH]nc2ccc(Cl)cc12.Cc1cnc(NCc2ccccn2)c(=O)n1CCNCc1[nH]nc2ccc(Cl)cc12.Cc1nc(N)ccc1CNCCn1c(Cl)cnc(NCC(F)(F)c2cccc[n+]2[O-])c1=O.Cc1nc(N)ccc1CNCCn1c(Cl)cnc(NCC(F)(F)c2ccccn2)c1=O.O=c1c(NCC(F)(F)c2cccc[n+]2[O-])ncc(Cl)n1CCNCc1cccc(Cl)c1.O=c1c(NCCc2ccccn2)ncc(Cl)n1CCNCc1cc(Cl)ccc1-n1cncn1.O=c1c(NCCc2ccccn2)ncc(Cl)n1CCNCc1ccccn1
InChIInChI=1S/C22H22Cl2N8O.2C22H28ClF2N7O.C21H22ClN7O.C20H19Cl2F2N5O2.C20H22ClF2N7O2.C20H22ClF2N7O.C19H21ClN6O/c23-17-4-5-19(32-15-26-14-30-32)16(11-17)12-25-9-10-31-20(24)13-29-21(22(31)33)28-8-6-18-3-1-2-7-27-18;1-15-13-28-20(27-7-10-31-8-4-22(24,25)5-9-31)21(33)32(15)11-6-26-14-19-17-12-16(23)2-3-18(17)29-30-19;1-14-11-28-20(29-13-22(24,25)19-4-2-3-7-27-19)21(33)32(14)9-8-26-12-18-16-10-15(23)5-6-17(16)30-31-18;1-14-11-25-20(26-12-16-4-2-3-7-24-16)21(30)29(14)9-8-23-13-19-17-10-15(22)5-6-18(17)27-28-19;21-15-5-3-4-14(10-15)11-25-7-9-28-17(22)12-26-18(19(28)30)27-13-20(23,24)16-6-1-2-8-29(16)31;1-13-14(5-6-17(24)28-13)10-25-7-9-29-16(21)11-26-18(19(29)31)27-12-20(22,23)15-4-2-3-8-30(15)32;1-13-14(5-6-17(24)29-13)10-25-8-9-30-16(21)11-27-18(19(30)31)28-12-20(22,23)15-4-2-3-7-26-15;20-17-14-25-18(24-10-7-15-5-1-3-8-22-15)19(27)26(17)12-11-21-13-16-6-2-4-9-23-16/h1-5,7,11,13-15,25H,6,8-10,12H2,(H,28,29);2-3,12-13,26H,4-11,14H2,1H3,(H,27,28)(H,29,30);5-6,10-11,19,26-27H,2-4,7-9,12-13H2,1H3,(H,28,29)(H,30,31);2-7,10-11,23H,8-9,12-13H2,1H3,(H,25,26)(H,27,28);1-6,8,10,12,25H,7,9,11,13H2,(H,26,27);2-6,8,11,25H,7,9-10,12H2,1H3,(H2,24,28)(H,26,27);2-7,11,25H,8-10,12H2,1H3,(H2,24,29)(H,27,28);1-6,8-9,14,21H,7,10-13H2,(H,24,25)
InChIKeyUXCWFHOURMIPBX-UHFFFAOYSA-N
MW3640.18 g/mol
LogP21.61
Rot. Bonds72

About 1-[2-[(6-amino-2-methyl-3-pyridinyl)methylamino]ethyl]-6-chloro-3-[[2,2-difluoro-2-(1-oxidopyridin-1-ium-2-yl)ethyl]amino]pyrazin-2-one;1-[2-[(6-amino-2-methyl-3-pyridinyl)methylamino]ethyl]-6-chloro-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]pyrazin-2-one;6-chloro-1-[2-[(3-chlorophenyl)methylamino]ethyl]-3-[[2,2-difluoro-2-(1-oxidopyridin-1-ium-2-yl)ethyl]amino]pyrazin-2-one;6-chloro-1-[2-[[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]methylamino]ethyl]-3-(2-pyridin-2-ylethylamino)pyrazin-2-one;1-[2-[(5-chloro-2H-indazol-3-yl)methylamino]ethyl]-3-[(2,2-difluoro-2-piperidin-2-ylethyl)amino]-6-methylpyrazin-2-one;1-[2-[(5-chloro-2H-indazol-3-yl)methylamino]ethyl]-3-[2-(4,4-difluoropiperidin-1-yl)ethylamino]-6-methylpyrazin-2-one;1-[2-[(5-chloro-2H-indazol-3-yl)methylamino]ethyl]-6-methyl-3-(pyridin-2-ylmethylamino)pyrazin-2-one;6-chloro-3-(2-pyridin-2-ylethylamino)-1-[2-(pyridin-2-ylmethylamino)ethyl]pyrazin-2-one

1-[2-[(6-amino-2-methyl-3-pyridinyl)methylamino]ethyl]-6-chloro-3-[[2,2-difluoro-2-(1-oxidopyridin-1-ium-2-yl)ethyl]amino]pyrazin-2-one;1-[2-[(6-amino-2-methyl-3-pyridinyl)methylamino]ethyl]-6-chloro-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]pyrazin-2-one;6-chloro-1-[2-[(3-chlorophenyl)methylamino]ethyl]-3-[[2,2-difluoro-2-(1-oxidopyridin-1-ium-2-yl)ethyl]amino]pyrazin-2-one;6-chloro-1-[2-[[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]methylamino]ethyl]-3-(2-pyridin-2-ylethylamino)pyrazin-2-one;1-[2-[(5-chloro-2H-indazol-3-yl)methylamino]ethyl]-3-[(2,2-difluoro-2-piperidin-2-ylethyl)amino]-6-methylpyrazin-2-one;1-[2-[(5-chloro-2H-indazol-3-yl)methylamino]ethyl]-3-[2-(4,4-difluoropiperidin-1-yl)ethylamino]-6-methylpyrazin-2-one;1-[2-[(5-chloro-2H-indazol-3-yl)methylamino]ethyl]-6-methyl-3-(pyridin-2-ylmethylamino)pyrazin-2-one;6-chloro-3-(2-pyridin-2-ylethylamino)-1-[2-(pyridin-2-ylmethylamino)ethyl]pyrazin-2-one (PubChem CID 161217957) has the molecular formula C166H184Cl10F10N54O10 and a molecular weight of 3640.18 g/mol. Its IUPAC name is 1-[2-[(6-amino-2-methyl-3-pyridinyl)methylamino]ethyl]-6-chloro-3-[[2,2-difluoro-2-(1-oxidopyridin-1-ium-2-yl)ethyl]amino]pyrazin-2-one;1-[2-[(6-amino-2-methyl-3-pyridinyl)methylamino]ethyl]-6-chloro-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]pyrazin-2-one;6-chloro-1-[2-[(3-chlorophenyl)methylamino]ethyl]-3-[[2,2-difluoro-2-(1-oxidopyridin-1-ium-2-yl)ethyl]amino]pyrazin-2-one;6-chloro-1-[2-[[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]methylamino]ethyl]-3-(2-pyridin-2-ylethylamino)pyrazin-2-one;1-[2-[(5-chloro-2H-indazol-3-yl)methylamino]ethyl]-3-[(2,2-difluoro-2-piperidin-2-ylethyl)amino]-6-methylpyrazin-2-one;1-[2-[(5-chloro-2H-indazol-3-yl)methylamino]ethyl]-3-[2-(4,4-difluoropiperidin-1-yl)ethylamino]-6-methylpyrazin-2-one;1-[2-[(5-chloro-2H-indazol-3-yl)methylamino]ethyl]-6-methyl-3-(pyridin-2-ylmethylamino)pyrazin-2-one;6-chloro-3-(2-pyridin-2-ylethylamino)-1-[2-(pyridin-2-ylmethylamino)ethyl]pyrazin-2-one.

Molecular Properties

Compound Name1-[2-[(6-amino-2-methyl-3-pyridinyl)methylamino]ethyl]-6-chloro-3-[[2,2-difluoro-2-(1-oxidopyridin-1-ium-2-yl)ethyl]amino]pyrazin-2-one;1-[2-[(6-amino-2-methyl-3-pyridinyl)methylamino]ethyl]-6-chloro-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]pyrazin-2-one;6-chloro-1-[2-[(3-chlorophenyl)methylamino]ethyl]-3-[[2,2-difluoro-2-(1-oxidopyridin-1-ium-2-yl)ethyl]amino]pyrazin-2-one;6-chloro-1-[2-[[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]methylamino]ethyl]-3-(2-pyridin-2-ylethylamino)pyrazin-2-one;1-[2-[(5-chloro-2H-indazol-3-yl)methylamino]ethyl]-3-[(2,2-difluoro-2-piperidin-2-ylethyl)amino]-6-methylpyrazin-2-one;1-[2-[(5-chloro-2H-indazol-3-yl)methylamino]ethyl]-3-[2-(4,4-difluoropiperidin-1-yl)ethylamino]-6-methylpyrazin-2-one;1-[2-[(5-chloro-2H-indazol-3-yl)methylamino]ethyl]-6-methyl-3-(pyridin-2-ylmethylamino)pyrazin-2-one;6-chloro-3-(2-pyridin-2-ylethylamino)-1-[2-(pyridin-2-ylmethylamino)ethyl]pyrazin-2-one
PubChem CID161217957
Molecular FormulaC166H184Cl10F10N54O10
Molecular Weight3640.18 g/mol
Exact Mass3633.23
IUPAC Name1-[2-[(6-amino-2-methyl-3-pyridinyl)methylamino]ethyl]-6-chloro-3-[[2,2-difluoro-2-(1-oxidopyridin-1-ium-2-yl)ethyl]amino]pyrazin-2-one;1-[2-[(6-amino-2-methyl-3-pyridinyl)methylamino]ethyl]-6-chloro-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]pyrazin-2-one;6-chloro-1-[2-[(3-chlorophenyl)methylamino]ethyl]-3-[[2,2-difluoro-2-(1-oxidopyridin-1-ium-2-yl)ethyl]amino]pyrazin-2-one;6-chloro-1-[2-[[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]methylamino]ethyl]-3-(2-pyridin-2-ylethylamino)pyrazin-2-one;1-[2-[(5-chloro-2H-indazol-3-yl)methylamino]ethyl]-3-[(2,2-difluoro-2-piperidin-2-ylethyl)amino]-6-methylpyrazin-2-one;1-[2-[(5-chloro-2H-indazol-3-yl)methylamino]ethyl]-3-[2-(4,4-difluoropiperidin-1-yl)ethylamino]-6-methylpyrazin-2-one;1-[2-[(5-chloro-2H-indazol-3-yl)methylamino]ethyl]-6-methyl-3-(pyridin-2-ylmethylamino)pyrazin-2-one;6-chloro-3-(2-pyridin-2-ylethylamino)-1-[2-(pyridin-2-ylmethylamino)ethyl]pyrazin-2-one
SMILESCc1cnc(NCC(F)(F)C2CCCCN2)c(=O)n1CCNCc1[nH]nc2ccc(Cl)cc12.Cc1cnc(NCCN2CCC(F)(F)CC2)c(=O)n1CCNCc1[nH]nc2ccc(Cl)cc12.Cc1cnc(NCc2ccccn2)c(=O)n1CCNCc1[nH]nc2ccc(Cl)cc12.Cc1nc(N)ccc1CNCCn1c(Cl)cnc(NCC(F)(F)c2cccc[n+]2[O-])c1=O.Cc1nc(N)ccc1CNCCn1c(Cl)cnc(NCC(F)(F)c2ccccn2)c1=O.O=c1c(NCC(F)(F)c2cccc[n+]2[O-])ncc(Cl)n1CCNCc1cccc(Cl)c1.O=c1c(NCCc2ccccn2)ncc(Cl)n1CCNCc1cc(Cl)ccc1-n1cncn1.O=c1c(NCCc2ccccn2)ncc(Cl)n1CCNCc1ccccn1
InChIInChI=1S/C22H22Cl2N8O.2C22H28ClF2N7O.C21H22ClN7O.C20H19Cl2F2N5O2.C20H22ClF2N7O2.C20H22ClF2N7O.C19H21ClN6O/c23-17-4-5-19(32-15-26-14-30-32)16(11-17)12-25-9-10-31-20(24)13-29-21(22(31)33)28-8-6-18-3-1-2-7-27-18;1-15-13-28-20(27-7-10-31-8-4-22(24,25)5-9-31)21(33)32(15)11-6-26-14-19-17-12-16(23)2-3-18(17)29-30-19;1-14-11-28-20(29-13-22(24,25)19-4-2-3-7-27-19)21(33)32(14)9-8-26-12-18-16-10-15(23)5-6-17(16)30-31-18;1-14-11-25-20(26-12-16-4-2-3-7-24-16)21(30)29(14)9-8-23-13-19-17-10-15(22)5-6-18(17)27-28-19;21-15-5-3-4-14(10-15)11-25-7-9-28-17(22)12-26-18(19(28)30)27-13-20(23,24)16-6-1-2-8-29(16)31;1-13-14(5-6-17(24)28-13)10-25-7-9-29-16(21)11-26-18(19(29)31)27-12-20(22,23)15-4-2-3-8-30(15)32;1-13-14(5-6-17(24)29-13)10-25-8-9-30-16(21)11-27-18(19(30)31)28-12-20(22,23)15-4-2-3-7-26-15;20-17-14-25-18(24-10-7-15-5-1-3-8-22-15)19(27)26(17)12-11-21-13-16-6-2-4-9-23-16/h1-5,7,11,13-15,25H,6,8-10,12H2,(H,28,29);2-3,12-13,26H,4-11,14H2,1H3,(H,27,28)(H,29,30);5-6,10-11,19,26-27H,2-4,7-9,12-13H2,1H3,(H,28,29)(H,30,31);2-7,10-11,23H,8-9,12-13H2,1H3,(H,25,26)(H,27,28);1-6,8,10,12,25H,7,9,11,13H2,(H,26,27);2-6,8,11,25H,7,9-10,12H2,1H3,(H2,24,28)(H,26,27);2-7,11,25H,8-10,12H2,1H3,(H2,24,29)(H,27,28);1-6,8-9,14,21H,7,10-13H2,(H,24,25)
InChIKeyUXCWFHOURMIPBX-UHFFFAOYSA-N
XLogP21.61
TPSA799.77 Ų
H-Bond Donors22
H-Bond Acceptors59
Rotatable Bonds72
Heavy Atoms250
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003640.18
LogP ≤ 521.61
H-Bond Donors ≤ 522
H-Bond Acceptors ≤ 1059

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'N_oxide', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 1-[2-[(6-amino-2-methyl-3-pyridinyl)methylamino]ethyl]-6-chloro-3-[[2,2-difluoro-2-(1-oxidopyridin-1-ium-2-yl)ethyl]amino]pyrazin-2-one;1-[2-[(6-amino-2-methyl-3-pyridinyl)methylamino]ethyl]-6-chloro-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]pyrazin-2-one;6-chloro-1-[2-[(3-chlorophenyl)methylamino]ethyl]-3-[[2,2-difluoro-2-(1-oxidopyridin-1-ium-2-yl)ethyl]amino]pyrazin-2-one;6-chloro-1-[2-[[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]methylamino]ethyl]-3-(2-pyridin-2-ylethylamino)pyrazin-2-one;1-[2-[(5-chloro-2H-indazol-3-yl)methylamino]ethyl]-3-[(2,2-difluoro-2-piperidin-2-ylethyl)amino]-6-methylpyrazin-2-one;1-[2-[(5-chloro-2H-indazol-3-yl)methylamino]ethyl]-3-[2-(4,4-difluoropiperidin-1-yl)ethylamino]-6-methylpyrazin-2-one;1-[2-[(5-chloro-2H-indazol-3-yl)methylamino]ethyl]-6-methyl-3-(pyridin-2-ylmethylamino)pyrazin-2-one;6-chloro-3-(2-pyridin-2-ylethylamino)-1-[2-(pyridin-2-ylmethylamino)ethyl]pyrazin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(6-amino-2-methyl-3-pyridinyl)methylamino]ethyl]-6-chloro-3-[[2,2-difluoro-2-(1-oxidopyridin-1-ium-2-yl)ethyl]amino]pyrazin-2-one;1-[2-[(6-amino-2-methyl-3-pyridinyl)methylamino]ethyl]-6-chloro-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]pyrazin-2-one;6-chloro-1-[2-[(3-chlorophenyl)methylamino]ethyl]-3-[[2,2-difluoro-2-(1-oxidopyridin-1-ium-2-yl)ethyl]amino]pyrazin-2-one;6-chloro-1-[2-[[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]methylamino]ethyl]-3-(2-pyridin-2-ylethylamino)pyrazin-2-one;1-[2-[(5-chloro-2H-indazol-3-yl)methylamino]ethyl]-3-[(2,2-difluoro-2-piperidin-2-ylethyl)amino]-6-methylpyrazin-2-one;1-[2-[(5-chloro-2H-indazol-3-yl)methylamino]ethyl]-3-[2-(4,4-difluoropiperidin-1-yl)ethylamino]-6-methylpyrazin-2-one;1-[2-[(5-chloro-2H-indazol-3-yl)methylamino]ethyl]-6-methyl-3-(pyridin-2-ylmethylamino)pyrazin-2-one;6-chloro-3-(2-pyridin-2-ylethylamino)-1-[2-(pyridin-2-ylmethylamino)ethyl]pyrazin-2-one?
The IUPAC name of 1-[2-[(6-amino-2-methyl-3-pyridinyl)methylamino]ethyl]-6-chloro-3-[[2,2-difluoro-2-(1-oxidopyridin-1-ium-2-yl)ethyl]amino]pyrazin-2-one;1-[2-[(6-amino-2-methyl-3-pyridinyl)methylamino]ethyl]-6-chloro-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]pyrazin-2-one;6-chloro-1-[2-[(3-chlorophenyl)methylamino]ethyl]-3-[[2,2-difluoro-2-(1-oxidopyridin-1-ium-2-yl)ethyl]amino]pyrazin-2-one;6-chloro-1-[2-[[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]methylamino]ethyl]-3-(2-pyridin-2-ylethylamino)pyrazin-2-one;1-[2-[(5-chloro-2H-indazol-3-yl)methylamino]ethyl]-3-[(2,2-difluoro-2-piperidin-2-ylethyl)amino]-6-methylpyrazin-2-one;1-[2-[(5-chloro-2H-indazol-3-yl)methylamino]ethyl]-3-[2-(4,4-difluoropiperidin-1-yl)ethylamino]-6-methylpyrazin-2-one;1-[2-[(5-chloro-2H-indazol-3-yl)methylamino]ethyl]-6-methyl-3-(pyridin-2-ylmethylamino)pyrazin-2-one;6-chloro-3-(2-pyridin-2-ylethylamino)-1-[2-(pyridin-2-ylmethylamino)ethyl]pyrazin-2-one (CID 161217957) is 1-[2-[(6-amino-2-methyl-3-pyridinyl)methylamino]ethyl]-6-chloro-3-[[2,2-difluoro-2-(1-oxidopyridin-1-ium-2-yl)ethyl]amino]pyrazin-2-one;1-[2-[(6-amino-2-methyl-3-pyridinyl)methylamino]ethyl]-6-chloro-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]pyrazin-2-one;6-chloro-1-[2-[(3-chlorophenyl)methylamino]ethyl]-3-[[2,2-difluoro-2-(1-oxidopyridin-1-ium-2-yl)ethyl]amino]pyrazin-2-one;6-chloro-1-[2-[[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]methylamino]ethyl]-3-(2-pyridin-2-ylethylamino)pyrazin-2-one;1-[2-[(5-chloro-2H-indazol-3-yl)methylamino]ethyl]-3-[(2,2-difluoro-2-piperidin-2-ylethyl)amino]-6-methylpyrazin-2-one;1-[2-[(5-chloro-2H-indazol-3-yl)methylamino]ethyl]-3-[2-(4,4-difluoropiperidin-1-yl)ethylamino]-6-methylpyrazin-2-one;1-[2-[(5-chloro-2H-indazol-3-yl)methylamino]ethyl]-6-methyl-3-(pyridin-2-ylmethylamino)pyrazin-2-one;6-chloro-3-(2-pyridin-2-ylethylamino)-1-[2-(pyridin-2-ylmethylamino)ethyl]pyrazin-2-one.
What is the SMILES notation for 1-[2-[(6-amino-2-methyl-3-pyridinyl)methylamino]ethyl]-6-chloro-3-[[2,2-difluoro-2-(1-oxidopyridin-1-ium-2-yl)ethyl]amino]pyrazin-2-one;1-[2-[(6-amino-2-methyl-3-pyridinyl)methylamino]ethyl]-6-chloro-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]pyrazin-2-one;6-chloro-1-[2-[(3-chlorophenyl)methylamino]ethyl]-3-[[2,2-difluoro-2-(1-oxidopyridin-1-ium-2-yl)ethyl]amino]pyrazin-2-one;6-chloro-1-[2-[[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]methylamino]ethyl]-3-(2-pyridin-2-ylethylamino)pyrazin-2-one;1-[2-[(5-chloro-2H-indazol-3-yl)methylamino]ethyl]-3-[(2,2-difluoro-2-piperidin-2-ylethyl)amino]-6-methylpyrazin-2-one;1-[2-[(5-chloro-2H-indazol-3-yl)methylamino]ethyl]-3-[2-(4,4-difluoropiperidin-1-yl)ethylamino]-6-methylpyrazin-2-one;1-[2-[(5-chloro-2H-indazol-3-yl)methylamino]ethyl]-6-methyl-3-(pyridin-2-ylmethylamino)pyrazin-2-one;6-chloro-3-(2-pyridin-2-ylethylamino)-1-[2-(pyridin-2-ylmethylamino)ethyl]pyrazin-2-one?
The canonical SMILES for 1-[2-[(6-amino-2-methyl-3-pyridinyl)methylamino]ethyl]-6-chloro-3-[[2,2-difluoro-2-(1-oxidopyridin-1-ium-2-yl)ethyl]amino]pyrazin-2-one;1-[2-[(6-amino-2-methyl-3-pyridinyl)methylamino]ethyl]-6-chloro-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]pyrazin-2-one;6-chloro-1-[2-[(3-chlorophenyl)methylamino]ethyl]-3-[[2,2-difluoro-2-(1-oxidopyridin-1-ium-2-yl)ethyl]amino]pyrazin-2-one;6-chloro-1-[2-[[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]methylamino]ethyl]-3-(2-pyridin-2-ylethylamino)pyrazin-2-one;1-[2-[(5-chloro-2H-indazol-3-yl)methylamino]ethyl]-3-[(2,2-difluoro-2-piperidin-2-ylethyl)amino]-6-methylpyrazin-2-one;1-[2-[(5-chloro-2H-indazol-3-yl)methylamino]ethyl]-3-[2-(4,4-difluoropiperidin-1-yl)ethylamino]-6-methylpyrazin-2-one;1-[2-[(5-chloro-2H-indazol-3-yl)methylamino]ethyl]-6-methyl-3-(pyridin-2-ylmethylamino)pyrazin-2-one;6-chloro-3-(2-pyridin-2-ylethylamino)-1-[2-(pyridin-2-ylmethylamino)ethyl]pyrazin-2-one is Cc1cnc(NCC(F)(F)C2CCCCN2)c(=O)n1CCNCc1[nH]nc2ccc(Cl)cc12.Cc1cnc(NCCN2CCC(F)(F)CC2)c(=O)n1CCNCc1[nH]nc2ccc(Cl)cc12.Cc1cnc(NCc2ccccn2)c(=O)n1CCNCc1[nH]nc2ccc(Cl)cc12.Cc1nc(N)ccc1CNCCn1c(Cl)cnc(NCC(F)(F)c2cccc[n+]2[O-])c1=O.Cc1nc(N)ccc1CNCCn1c(Cl)cnc(NCC(F)(F)c2ccccn2)c1=O.O=c1c(NCC(F)(F)c2cccc[n+]2[O-])ncc(Cl)n1CCNCc1cccc(Cl)c1.O=c1c(NCCc2ccccn2)ncc(Cl)n1CCNCc1cc(Cl)ccc1-n1cncn1.O=c1c(NCCc2ccccn2)ncc(Cl)n1CCNCc1ccccn1.
What is the InChIKey of 1-[2-[(6-amino-2-methyl-3-pyridinyl)methylamino]ethyl]-6-chloro-3-[[2,2-difluoro-2-(1-oxidopyridin-1-ium-2-yl)ethyl]amino]pyrazin-2-one;1-[2-[(6-amino-2-methyl-3-pyridinyl)methylamino]ethyl]-6-chloro-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]pyrazin-2-one;6-chloro-1-[2-[(3-chlorophenyl)methylamino]ethyl]-3-[[2,2-difluoro-2-(1-oxidopyridin-1-ium-2-yl)ethyl]amino]pyrazin-2-one;6-chloro-1-[2-[[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]methylamino]ethyl]-3-(2-pyridin-2-ylethylamino)pyrazin-2-one;1-[2-[(5-chloro-2H-indazol-3-yl)methylamino]ethyl]-3-[(2,2-difluoro-2-piperidin-2-ylethyl)amino]-6-methylpyrazin-2-one;1-[2-[(5-chloro-2H-indazol-3-yl)methylamino]ethyl]-3-[2-(4,4-difluoropiperidin-1-yl)ethylamino]-6-methylpyrazin-2-one;1-[2-[(5-chloro-2H-indazol-3-yl)methylamino]ethyl]-6-methyl-3-(pyridin-2-ylmethylamino)pyrazin-2-one;6-chloro-3-(2-pyridin-2-ylethylamino)-1-[2-(pyridin-2-ylmethylamino)ethyl]pyrazin-2-one?
The InChIKey is UXCWFHOURMIPBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22Cl2N8O.2C22H28ClF2N7O.C21H22ClN7O.C20H19Cl2F2N5O2.C20H22ClF2N7O2.C20H22ClF2N7O.C19H21ClN6O/c23-17-4-5-19(32-15-26-14-30-32)16(11-17)12-25-9-10-31-20(24)13-29-21(22(31)33)28-8-6-18-3-1-2-7-27-18;1-15-13-28-20(27-7-10-31-8-4-22(24,25)5-9-31)21(33)32(15)11-6-26-14-19-17-12-16(23)2-3-18(17)29-30-19;1-14-11-28-20(29-13-22(24,25)19-4-2-3-7-27-19)21(33)32(14)9-8-26-12-18-16-10-15(23)5-6-17(16)30-31-18;1-14-11-25-20(26-12-16-4-2-3-7-24-16)21(30)29(14)9-8-23-13-19-17-10-15(22)5-6-18(17)27-28-19;21-15-5-3-4-14(10-15)11-25-7-9-28-17(22)12-26-18(19(28)30)27-13-20(23,24)16-6-1-2-8-29(16)31;1-13-14(5-6-17(24)28-13)10-25-7-9-29-16(21)11-26-18(19(29)31)27-12-20(22,23)15-4-2-3-8-30(15)32;1-13-14(5-6-17(24)29-13)10-25-8-9-30-16(21)11-27-18(19(30)31)28-12-20(22,23)15-4-2-3-7-26-15;20-17-14-25-18(24-10-7-15-5-1-3-8-22-15)19(27)26(17)12-11-21-13-16-6-2-4-9-23-16/h1-5,7,11,13-15,25H,6,8-10,12H2,(H,28,29);2-3,12-13,26H,4-11,14H2,1H3,(H,27,28)(H,29,30);5-6,10-11,19,26-27H,2-4,7-9,12-13H2,1H3,(H,28,29)(H,30,31);2-7,10-11,23H,8-9,12-13H2,1H3,(H,25,26)(H,27,28);1-6,8,10,12,25H,7,9,11,13H2,(H,26,27);2-6,8,11,25H,7,9-10,12H2,1H3,(H2,24,28)(H,26,27);2-7,11,25H,8-10,12H2,1H3,(H2,24,29)(H,27,28);1-6,8-9,14,21H,7,10-13H2,(H,24,25).
What are the key properties of 1-[2-[(6-amino-2-methyl-3-pyridinyl)methylamino]ethyl]-6-chloro-3-[[2,2-difluoro-2-(1-oxidopyridin-1-ium-2-yl)ethyl]amino]pyrazin-2-one;1-[2-[(6-amino-2-methyl-3-pyridinyl)methylamino]ethyl]-6-chloro-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]pyrazin-2-one;6-chloro-1-[2-[(3-chlorophenyl)methylamino]ethyl]-3-[[2,2-difluoro-2-(1-oxidopyridin-1-ium-2-yl)ethyl]amino]pyrazin-2-one;6-chloro-1-[2-[[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]methylamino]ethyl]-3-(2-pyridin-2-ylethylamino)pyrazin-2-one;1-[2-[(5-chloro-2H-indazol-3-yl)methylamino]ethyl]-3-[(2,2-difluoro-2-piperidin-2-ylethyl)amino]-6-methylpyrazin-2-one;1-[2-[(5-chloro-2H-indazol-3-yl)methylamino]ethyl]-3-[2-(4,4-difluoropiperidin-1-yl)ethylamino]-6-methylpyrazin-2-one;1-[2-[(5-chloro-2H-indazol-3-yl)methylamino]ethyl]-6-methyl-3-(pyridin-2-ylmethylamino)pyrazin-2-one;6-chloro-3-(2-pyridin-2-ylethylamino)-1-[2-(pyridin-2-ylmethylamino)ethyl]pyrazin-2-one?
1-[2-[(6-amino-2-methyl-3-pyridinyl)methylamino]ethyl]-6-chloro-3-[[2,2-difluoro-2-(1-oxidopyridin-1-ium-2-yl)ethyl]amino]pyrazin-2-one;1-[2-[(6-amino-2-methyl-3-pyridinyl)methylamino]ethyl]-6-chloro-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]pyrazin-2-one;6-chloro-1-[2-[(3-chlorophenyl)methylamino]ethyl]-3-[[2,2-difluoro-2-(1-oxidopyridin-1-ium-2-yl)ethyl]amino]pyrazin-2-one;6-chloro-1-[2-[[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]methylamino]ethyl]-3-(2-pyridin-2-ylethylamino)pyrazin-2-one;1-[2-[(5-chloro-2H-indazol-3-yl)methylamino]ethyl]-3-[(2,2-difluoro-2-piperidin-2-ylethyl)amino]-6-methylpyrazin-2-one;1-[2-[(5-chloro-2H-indazol-3-yl)methylamino]ethyl]-3-[2-(4,4-difluoropiperidin-1-yl)ethylamino]-6-methylpyrazin-2-one;1-[2-[(5-chloro-2H-indazol-3-yl)methylamino]ethyl]-6-methyl-3-(pyridin-2-ylmethylamino)pyrazin-2-one;6-chloro-3-(2-pyridin-2-ylethylamino)-1-[2-(pyridin-2-ylmethylamino)ethyl]pyrazin-2-one has a molecular weight of 3640.18 g/mol, XLogP of 21.61, 72 rotatable bonds, 22 hydrogen bond donors, and 59 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(6-amino-2-methyl-3-pyridinyl)methylamino]ethyl]-6-chloro-3-[[2,2-difluoro-2-(1-oxidopyridin-1-ium-2-yl)ethyl]amino]pyrazin-2-one;1-[2-[(6-amino-2-methyl-3-pyridinyl)methylamino]ethyl]-6-chloro-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]pyrazin-2-one;6-chloro-1-[2-[(3-chlorophenyl)methylamino]ethyl]-3-[[2,2-difluoro-2-(1-oxidopyridin-1-ium-2-yl)ethyl]amino]pyrazin-2-one;6-chloro-1-[2-[[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]methylamino]ethyl]-3-(2-pyridin-2-ylethylamino)pyrazin-2-one;1-[2-[(5-chloro-2H-indazol-3-yl)methylamino]ethyl]-3-[(2,2-difluoro-2-piperidin-2-ylethyl)amino]-6-methylpyrazin-2-one;1-[2-[(5-chloro-2H-indazol-3-yl)methylamino]ethyl]-3-[2-(4,4-difluoropiperidin-1-yl)ethylamino]-6-methylpyrazin-2-one;1-[2-[(5-chloro-2H-indazol-3-yl)methylamino]ethyl]-6-methyl-3-(pyridin-2-ylmethylamino)pyrazin-2-one;6-chloro-3-(2-pyridin-2-ylethylamino)-1-[2-(pyridin-2-ylmethylamino)ethyl]pyrazin-2-one is sourced from PubChem (CID 161217957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).