6-chloro-1-[2-[(5-chloro-2H-indazol-3-yl)methylamino]ethyl]-3-[[2,2-difluoro-2-(1-oxidopyridin-1-ium-2-yl)ethyl]amino]pyrazin-2-one;6-chloro-1-[2-[2-(3-chlorophenyl)ethylamino]ethyl]-3-[[2,2-difluoro-2-(1-oxidopyridin-1-ium-2-yl)ethyl]amino]pyrazin-2-one;6-chloro-1-[2-[(3-chlorophenyl)methylamino]ethyl]-3-(2-piperidin-1-ylethylamino)pyrazin-2-one;6-chloro-1-[2-[(4-chlorophenyl)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-(1-oxidopyridin-1-ium-2-yl)ethyl]amino]pyrazin-2-one;1-[2-[2-(3-chlorophenyl)ethylamino]ethyl]-6-methyl-3-(2-morpholin-4-ylethylamino)pyrazin-2-one;1-[2-[2-(3-chlorophenyl)ethylamino]ethyl]-6-methyl-3-(2-piperidin-1-ylethylamino)pyrazin-2-one;1-[2-[(3-chlorophenyl)methylamino]ethyl]-6-methyl-3-(2-morpholin-4-ylethylamino)pyrazin-2-one;6-chloro-1-[2-[2-(pyridin-2-ylamino)ethylamino]ethyl]-3-(2-pyridin-2-ylethylamino)pyrazin-2-one;methane

C188H230Cl13F6N51O14 — CID 158522617

IUPAC6-chloro-1-[2-[(5-chloro-2H-indazol-3-yl)methylamino]ethyl]-3-[[2,2-difluoro-2-(1-oxidopyridin-1-ium-2-yl)ethyl]amino]pyrazin-2-one;6-chloro-1-[2-[2-(3-chlorophenyl)ethylamino]ethyl]-3-[[2,2-difluoro-2-(1-oxidopyridin-1-ium-2-yl)ethyl]amino]pyrazin-2-one;6-chloro-1-[2-[(3-chlorophenyl)methylamino]ethyl]-3-(2-piperidin-1-ylethylamino)pyrazin-2-one;6-chloro-1-[2-[(4-chlorophenyl)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-(1-oxidopyridin-1-ium-2-yl)ethyl]amino]pyrazin-2-one;1-[2-[2-(3-chlorophenyl)ethylamino]ethyl]-6-methyl-3-(2-morpholin-4-ylethylamino)pyrazin-2-one;1-[2-[2-(3-chlorophenyl)ethylamino]ethyl]-6-methyl-3-(2-piperidin-1-ylethylamino)pyrazin-2-one;1-[2-[(3-chlorophenyl)methylamino]ethyl]-6-methyl-3-(2-morpholin-4-ylethylamino)pyrazin-2-one;6-chloro-1-[2-[2-(pyridin-2-ylamino)ethylamino]ethyl]-3-(2-pyridin-2-ylethylamino)pyrazin-2-one;methane
SMILESC.C.Cc1cnc(NCCN2CCCCC2)c(=O)n1CCNCCc1cccc(Cl)c1.Cc1cnc(NCCN2CCOCC2)c(=O)n1CCNCCc1cccc(Cl)c1.Cc1cnc(NCCN2CCOCC2)c(=O)n1CCNCc1cccc(Cl)c1.O=c1c(NCC(F)(F)c2cccc[n+]2[O-])ncc(Cl)n1CCNCCc1cccc(Cl)c1.O=c1c(NCC(F)(F)c2cccc[n+]2[O-])ncc(Cl)n1CCNCc1[nH]nc2ccc(Cl)cc12.O=c1c(NCC(F)(F)c2cccc[n+]2[O-])nccn1CCNCc1[nH]nc2ccc(Cl)cc12.O=c1c(NCCN2CCCCC2)ncc(Cl)n1CCNCc1cccc(Cl)c1.O=c1c(NCCc2ccccn2)ncc(Cl)n1CCNCCNc1ccccn1.O=c1c(NCCc2ccccn2)ncc(Cl)n1CCNCc1ccc(Cl)cc1
InChIInChI=1S/C22H32ClN5O.C21H19Cl2F2N7O2.C21H21Cl2F2N5O2.C21H20ClF2N7O2.C21H30ClN5O2.C20H21Cl2N5O.C20H27Cl2N5O.C20H24ClN7O.C20H28ClN5O2.2CH4/c1-18-17-26-21(25-11-14-27-12-3-2-4-13-27)22(29)28(18)15-10-24-9-8-19-6-5-7-20(23)16-19;22-13-4-5-15-14(9-13)16(30-29-15)10-26-6-8-31-18(23)11-27-19(20(31)33)28-12-21(24,25)17-3-1-2-7-32(17)34;22-16-5-3-4-15(12-16)7-8-26-9-11-29-18(23)13-27-19(20(29)31)28-14-21(24,25)17-6-1-2-10-30(17)32;22-14-4-5-16-15(11-14)17(29-28-16)12-25-6-9-30-10-7-26-19(20(30)32)27-13-21(23,24)18-3-1-2-8-31(18)33;1-17-16-25-20(24-8-9-26-11-13-29-14-12-26)21(28)27(17)10-7-23-6-5-18-3-2-4-19(22)15-18;21-16-6-4-15(5-7-16)13-23-11-12-27-18(22)14-26-19(20(27)28)25-10-8-17-3-1-2-9-24-17;21-17-6-4-5-16(13-17)14-23-7-12-27-18(22)15-25-19(20(27)28)24-8-11-26-9-2-1-3-10-26;21-17-15-27-19(26-10-7-16-5-1-3-8-23-16)20(29)28(17)14-13-22-11-12-25-18-6-2-4-9-24-18;1-16-14-24-19(23-6-7-25-9-11-28-12-10-25)20(27)26(16)8-5-22-15-17-3-2-4-18(21)13-17;;/h5-7,16-17,24H,2-4,8-15H2,1H3,(H,25,26);1-5,7,9,11,26H,6,8,10,12H2,(H,27,28)(H,29,30);1-6,10,12-13,26H,7-9,11,14H2,(H,27,28);1-5,7-8,10-11,25H,6,9,12-13H2,(H,26,27)(H,28,29);2-4,15-16,23H,5-14H2,1H3,(H,24,25);1-7,9,14,23H,8,10-13H2,(H,25,26);4-6,13,15,23H,1-3,7-12,14H2,(H,24,25);1-6,8-9,15,22H,7,10-14H2,(H,24,25)(H,26,27);2-4,13-14,22H,5-12,15H2,1H3,(H,23,24);2*1H4
InChIKeyHMJZQPWRSPOHHU-UHFFFAOYSA-N
MW4003.13 g/mol
LogP25.07
Rot. Bonds86

About 6-chloro-1-[2-[(5-chloro-2H-indazol-3-yl)methylamino]ethyl]-3-[[2,2-difluoro-2-(1-oxidopyridin-1-ium-2-yl)ethyl]amino]pyrazin-2-one;6-chloro-1-[2-[2-(3-chlorophenyl)ethylamino]ethyl]-3-[[2,2-difluoro-2-(1-oxidopyridin-1-ium-2-yl)ethyl]amino]pyrazin-2-one;6-chloro-1-[2-[(3-chlorophenyl)methylamino]ethyl]-3-(2-piperidin-1-ylethylamino)pyrazin-2-one;6-chloro-1-[2-[(4-chlorophenyl)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-(1-oxidopyridin-1-ium-2-yl)ethyl]amino]pyrazin-2-one;1-[2-[2-(3-chlorophenyl)ethylamino]ethyl]-6-methyl-3-(2-morpholin-4-ylethylamino)pyrazin-2-one;1-[2-[2-(3-chlorophenyl)ethylamino]ethyl]-6-methyl-3-(2-piperidin-1-ylethylamino)pyrazin-2-one;1-[2-[(3-chlorophenyl)methylamino]ethyl]-6-methyl-3-(2-morpholin-4-ylethylamino)pyrazin-2-one;6-chloro-1-[2-[2-(pyridin-2-ylamino)ethylamino]ethyl]-3-(2-pyridin-2-ylethylamino)pyrazin-2-one;methane

6-chloro-1-[2-[(5-chloro-2H-indazol-3-yl)methylamino]ethyl]-3-[[2,2-difluoro-2-(1-oxidopyridin-1-ium-2-yl)ethyl]amino]pyrazin-2-one;6-chloro-1-[2-[2-(3-chlorophenyl)ethylamino]ethyl]-3-[[2,2-difluoro-2-(1-oxidopyridin-1-ium-2-yl)ethyl]amino]pyrazin-2-one;6-chloro-1-[2-[(3-chlorophenyl)methylamino]ethyl]-3-(2-piperidin-1-ylethylamino)pyrazin-2-one;6-chloro-1-[2-[(4-chlorophenyl)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-(1-oxidopyridin-1-ium-2-yl)ethyl]amino]pyrazin-2-one;1-[2-[2-(3-chlorophenyl)ethylamino]ethyl]-6-methyl-3-(2-morpholin-4-ylethylamino)pyrazin-2-one;1-[2-[2-(3-chlorophenyl)ethylamino]ethyl]-6-methyl-3-(2-piperidin-1-ylethylamino)pyrazin-2-one;1-[2-[(3-chlorophenyl)methylamino]ethyl]-6-methyl-3-(2-morpholin-4-ylethylamino)pyrazin-2-one;6-chloro-1-[2-[2-(pyridin-2-ylamino)ethylamino]ethyl]-3-(2-pyridin-2-ylethylamino)pyrazin-2-one;methane (PubChem CID 158522617) has the molecular formula C188H230Cl13F6N51O14 and a molecular weight of 4003.13 g/mol. Its IUPAC name is 6-chloro-1-[2-[(5-chloro-2H-indazol-3-yl)methylamino]ethyl]-3-[[2,2-difluoro-2-(1-oxidopyridin-1-ium-2-yl)ethyl]amino]pyrazin-2-one;6-chloro-1-[2-[2-(3-chlorophenyl)ethylamino]ethyl]-3-[[2,2-difluoro-2-(1-oxidopyridin-1-ium-2-yl)ethyl]amino]pyrazin-2-one;6-chloro-1-[2-[(3-chlorophenyl)methylamino]ethyl]-3-(2-piperidin-1-ylethylamino)pyrazin-2-one;6-chloro-1-[2-[(4-chlorophenyl)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-(1-oxidopyridin-1-ium-2-yl)ethyl]amino]pyrazin-2-one;1-[2-[2-(3-chlorophenyl)ethylamino]ethyl]-6-methyl-3-(2-morpholin-4-ylethylamino)pyrazin-2-one;1-[2-[2-(3-chlorophenyl)ethylamino]ethyl]-6-methyl-3-(2-piperidin-1-ylethylamino)pyrazin-2-one;1-[2-[(3-chlorophenyl)methylamino]ethyl]-6-methyl-3-(2-morpholin-4-ylethylamino)pyrazin-2-one;6-chloro-1-[2-[2-(pyridin-2-ylamino)ethylamino]ethyl]-3-(2-pyridin-2-ylethylamino)pyrazin-2-one;methane.

Molecular Properties

Compound Name6-chloro-1-[2-[(5-chloro-2H-indazol-3-yl)methylamino]ethyl]-3-[[2,2-difluoro-2-(1-oxidopyridin-1-ium-2-yl)ethyl]amino]pyrazin-2-one;6-chloro-1-[2-[2-(3-chlorophenyl)ethylamino]ethyl]-3-[[2,2-difluoro-2-(1-oxidopyridin-1-ium-2-yl)ethyl]amino]pyrazin-2-one;6-chloro-1-[2-[(3-chlorophenyl)methylamino]ethyl]-3-(2-piperidin-1-ylethylamino)pyrazin-2-one;6-chloro-1-[2-[(4-chlorophenyl)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-(1-oxidopyridin-1-ium-2-yl)ethyl]amino]pyrazin-2-one;1-[2-[2-(3-chlorophenyl)ethylamino]ethyl]-6-methyl-3-(2-morpholin-4-ylethylamino)pyrazin-2-one;1-[2-[2-(3-chlorophenyl)ethylamino]ethyl]-6-methyl-3-(2-piperidin-1-ylethylamino)pyrazin-2-one;1-[2-[(3-chlorophenyl)methylamino]ethyl]-6-methyl-3-(2-morpholin-4-ylethylamino)pyrazin-2-one;6-chloro-1-[2-[2-(pyridin-2-ylamino)ethylamino]ethyl]-3-(2-pyridin-2-ylethylamino)pyrazin-2-one;methane
PubChem CID158522617
Molecular FormulaC188H230Cl13F6N51O14
Molecular Weight4003.13 g/mol
Exact Mass3994.47
IUPAC Name6-chloro-1-[2-[(5-chloro-2H-indazol-3-yl)methylamino]ethyl]-3-[[2,2-difluoro-2-(1-oxidopyridin-1-ium-2-yl)ethyl]amino]pyrazin-2-one;6-chloro-1-[2-[2-(3-chlorophenyl)ethylamino]ethyl]-3-[[2,2-difluoro-2-(1-oxidopyridin-1-ium-2-yl)ethyl]amino]pyrazin-2-one;6-chloro-1-[2-[(3-chlorophenyl)methylamino]ethyl]-3-(2-piperidin-1-ylethylamino)pyrazin-2-one;6-chloro-1-[2-[(4-chlorophenyl)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-(1-oxidopyridin-1-ium-2-yl)ethyl]amino]pyrazin-2-one;1-[2-[2-(3-chlorophenyl)ethylamino]ethyl]-6-methyl-3-(2-morpholin-4-ylethylamino)pyrazin-2-one;1-[2-[2-(3-chlorophenyl)ethylamino]ethyl]-6-methyl-3-(2-piperidin-1-ylethylamino)pyrazin-2-one;1-[2-[(3-chlorophenyl)methylamino]ethyl]-6-methyl-3-(2-morpholin-4-ylethylamino)pyrazin-2-one;6-chloro-1-[2-[2-(pyridin-2-ylamino)ethylamino]ethyl]-3-(2-pyridin-2-ylethylamino)pyrazin-2-one;methane
SMILESC.C.Cc1cnc(NCCN2CCCCC2)c(=O)n1CCNCCc1cccc(Cl)c1.Cc1cnc(NCCN2CCOCC2)c(=O)n1CCNCCc1cccc(Cl)c1.Cc1cnc(NCCN2CCOCC2)c(=O)n1CCNCc1cccc(Cl)c1.O=c1c(NCC(F)(F)c2cccc[n+]2[O-])ncc(Cl)n1CCNCCc1cccc(Cl)c1.O=c1c(NCC(F)(F)c2cccc[n+]2[O-])ncc(Cl)n1CCNCc1[nH]nc2ccc(Cl)cc12.O=c1c(NCC(F)(F)c2cccc[n+]2[O-])nccn1CCNCc1[nH]nc2ccc(Cl)cc12.O=c1c(NCCN2CCCCC2)ncc(Cl)n1CCNCc1cccc(Cl)c1.O=c1c(NCCc2ccccn2)ncc(Cl)n1CCNCCNc1ccccn1.O=c1c(NCCc2ccccn2)ncc(Cl)n1CCNCc1ccc(Cl)cc1
InChIInChI=1S/C22H32ClN5O.C21H19Cl2F2N7O2.C21H21Cl2F2N5O2.C21H20ClF2N7O2.C21H30ClN5O2.C20H21Cl2N5O.C20H27Cl2N5O.C20H24ClN7O.C20H28ClN5O2.2CH4/c1-18-17-26-21(25-11-14-27-12-3-2-4-13-27)22(29)28(18)15-10-24-9-8-19-6-5-7-20(23)16-19;22-13-4-5-15-14(9-13)16(30-29-15)10-26-6-8-31-18(23)11-27-19(20(31)33)28-12-21(24,25)17-3-1-2-7-32(17)34;22-16-5-3-4-15(12-16)7-8-26-9-11-29-18(23)13-27-19(20(29)31)28-14-21(24,25)17-6-1-2-10-30(17)32;22-14-4-5-16-15(11-14)17(29-28-16)12-25-6-9-30-10-7-26-19(20(30)32)27-13-21(23,24)18-3-1-2-8-31(18)33;1-17-16-25-20(24-8-9-26-11-13-29-14-12-26)21(28)27(17)10-7-23-6-5-18-3-2-4-19(22)15-18;21-16-6-4-15(5-7-16)13-23-11-12-27-18(22)14-26-19(20(27)28)25-10-8-17-3-1-2-9-24-17;21-17-6-4-5-16(13-17)14-23-7-12-27-18(22)15-25-19(20(27)28)24-8-11-26-9-2-1-3-10-26;21-17-15-27-19(26-10-7-16-5-1-3-8-23-16)20(29)28(17)14-13-22-11-12-25-18-6-2-4-9-24-18;1-16-14-24-19(23-6-7-25-9-11-28-12-10-25)20(27)26(16)8-5-22-15-17-3-2-4-18(21)13-17;;/h5-7,16-17,24H,2-4,8-15H2,1H3,(H,25,26);1-5,7,9,11,26H,6,8,10,12H2,(H,27,28)(H,29,30);1-6,10,12-13,26H,7-9,11,14H2,(H,27,28);1-5,7-8,10-11,25H,6,9,12-13H2,(H,26,27)(H,28,29);2-4,15-16,23H,5-14H2,1H3,(H,24,25);1-7,9,14,23H,8,10-13H2,(H,25,26);4-6,13,15,23H,1-3,7-12,14H2,(H,24,25);1-6,8-9,15,22H,7,10-14H2,(H,24,25)(H,26,27);2-4,13-14,22H,5-12,15H2,1H3,(H,23,24);2*1H4
InChIKeyHMJZQPWRSPOHHU-UHFFFAOYSA-N
XLogP25.07
TPSA750.85 Ų
H-Bond Donors21
H-Bond Acceptors60
Rotatable Bonds86
Heavy Atoms272
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004003.13
LogP ≤ 525.07
H-Bond Donors ≤ 521
H-Bond Acceptors ≤ 1060

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 6-chloro-1-[2-[(5-chloro-2H-indazol-3-yl)methylamino]ethyl]-3-[[2,2-difluoro-2-(1-oxidopyridin-1-ium-2-yl)ethyl]amino]pyrazin-2-one;6-chloro-1-[2-[2-(3-chlorophenyl)ethylamino]ethyl]-3-[[2,2-difluoro-2-(1-oxidopyridin-1-ium-2-yl)ethyl]amino]pyrazin-2-one;6-chloro-1-[2-[(3-chlorophenyl)methylamino]ethyl]-3-(2-piperidin-1-ylethylamino)pyrazin-2-one;6-chloro-1-[2-[(4-chlorophenyl)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-(1-oxidopyridin-1-ium-2-yl)ethyl]amino]pyrazin-2-one;1-[2-[2-(3-chlorophenyl)ethylamino]ethyl]-6-methyl-3-(2-morpholin-4-ylethylamino)pyrazin-2-one;1-[2-[2-(3-chlorophenyl)ethylamino]ethyl]-6-methyl-3-(2-piperidin-1-ylethylamino)pyrazin-2-one;1-[2-[(3-chlorophenyl)methylamino]ethyl]-6-methyl-3-(2-morpholin-4-ylethylamino)pyrazin-2-one;6-chloro-1-[2-[2-(pyridin-2-ylamino)ethylamino]ethyl]-3-(2-pyridin-2-ylethylamino)pyrazin-2-one;methane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-[2-[(5-chloro-2H-indazol-3-yl)methylamino]ethyl]-3-[[2,2-difluoro-2-(1-oxidopyridin-1-ium-2-yl)ethyl]amino]pyrazin-2-one;6-chloro-1-[2-[2-(3-chlorophenyl)ethylamino]ethyl]-3-[[2,2-difluoro-2-(1-oxidopyridin-1-ium-2-yl)ethyl]amino]pyrazin-2-one;6-chloro-1-[2-[(3-chlorophenyl)methylamino]ethyl]-3-(2-piperidin-1-ylethylamino)pyrazin-2-one;6-chloro-1-[2-[(4-chlorophenyl)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-(1-oxidopyridin-1-ium-2-yl)ethyl]amino]pyrazin-2-one;1-[2-[2-(3-chlorophenyl)ethylamino]ethyl]-6-methyl-3-(2-morpholin-4-ylethylamino)pyrazin-2-one;1-[2-[2-(3-chlorophenyl)ethylamino]ethyl]-6-methyl-3-(2-piperidin-1-ylethylamino)pyrazin-2-one;1-[2-[(3-chlorophenyl)methylamino]ethyl]-6-methyl-3-(2-morpholin-4-ylethylamino)pyrazin-2-one;6-chloro-1-[2-[2-(pyridin-2-ylamino)ethylamino]ethyl]-3-(2-pyridin-2-ylethylamino)pyrazin-2-one;methane?
The IUPAC name of 6-chloro-1-[2-[(5-chloro-2H-indazol-3-yl)methylamino]ethyl]-3-[[2,2-difluoro-2-(1-oxidopyridin-1-ium-2-yl)ethyl]amino]pyrazin-2-one;6-chloro-1-[2-[2-(3-chlorophenyl)ethylamino]ethyl]-3-[[2,2-difluoro-2-(1-oxidopyridin-1-ium-2-yl)ethyl]amino]pyrazin-2-one;6-chloro-1-[2-[(3-chlorophenyl)methylamino]ethyl]-3-(2-piperidin-1-ylethylamino)pyrazin-2-one;6-chloro-1-[2-[(4-chlorophenyl)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-(1-oxidopyridin-1-ium-2-yl)ethyl]amino]pyrazin-2-one;1-[2-[2-(3-chlorophenyl)ethylamino]ethyl]-6-methyl-3-(2-morpholin-4-ylethylamino)pyrazin-2-one;1-[2-[2-(3-chlorophenyl)ethylamino]ethyl]-6-methyl-3-(2-piperidin-1-ylethylamino)pyrazin-2-one;1-[2-[(3-chlorophenyl)methylamino]ethyl]-6-methyl-3-(2-morpholin-4-ylethylamino)pyrazin-2-one;6-chloro-1-[2-[2-(pyridin-2-ylamino)ethylamino]ethyl]-3-(2-pyridin-2-ylethylamino)pyrazin-2-one;methane (CID 158522617) is 6-chloro-1-[2-[(5-chloro-2H-indazol-3-yl)methylamino]ethyl]-3-[[2,2-difluoro-2-(1-oxidopyridin-1-ium-2-yl)ethyl]amino]pyrazin-2-one;6-chloro-1-[2-[2-(3-chlorophenyl)ethylamino]ethyl]-3-[[2,2-difluoro-2-(1-oxidopyridin-1-ium-2-yl)ethyl]amino]pyrazin-2-one;6-chloro-1-[2-[(3-chlorophenyl)methylamino]ethyl]-3-(2-piperidin-1-ylethylamino)pyrazin-2-one;6-chloro-1-[2-[(4-chlorophenyl)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-(1-oxidopyridin-1-ium-2-yl)ethyl]amino]pyrazin-2-one;1-[2-[2-(3-chlorophenyl)ethylamino]ethyl]-6-methyl-3-(2-morpholin-4-ylethylamino)pyrazin-2-one;1-[2-[2-(3-chlorophenyl)ethylamino]ethyl]-6-methyl-3-(2-piperidin-1-ylethylamino)pyrazin-2-one;1-[2-[(3-chlorophenyl)methylamino]ethyl]-6-methyl-3-(2-morpholin-4-ylethylamino)pyrazin-2-one;6-chloro-1-[2-[2-(pyridin-2-ylamino)ethylamino]ethyl]-3-(2-pyridin-2-ylethylamino)pyrazin-2-one;methane.
What is the SMILES notation for 6-chloro-1-[2-[(5-chloro-2H-indazol-3-yl)methylamino]ethyl]-3-[[2,2-difluoro-2-(1-oxidopyridin-1-ium-2-yl)ethyl]amino]pyrazin-2-one;6-chloro-1-[2-[2-(3-chlorophenyl)ethylamino]ethyl]-3-[[2,2-difluoro-2-(1-oxidopyridin-1-ium-2-yl)ethyl]amino]pyrazin-2-one;6-chloro-1-[2-[(3-chlorophenyl)methylamino]ethyl]-3-(2-piperidin-1-ylethylamino)pyrazin-2-one;6-chloro-1-[2-[(4-chlorophenyl)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-(1-oxidopyridin-1-ium-2-yl)ethyl]amino]pyrazin-2-one;1-[2-[2-(3-chlorophenyl)ethylamino]ethyl]-6-methyl-3-(2-morpholin-4-ylethylamino)pyrazin-2-one;1-[2-[2-(3-chlorophenyl)ethylamino]ethyl]-6-methyl-3-(2-piperidin-1-ylethylamino)pyrazin-2-one;1-[2-[(3-chlorophenyl)methylamino]ethyl]-6-methyl-3-(2-morpholin-4-ylethylamino)pyrazin-2-one;6-chloro-1-[2-[2-(pyridin-2-ylamino)ethylamino]ethyl]-3-(2-pyridin-2-ylethylamino)pyrazin-2-one;methane?
The canonical SMILES for 6-chloro-1-[2-[(5-chloro-2H-indazol-3-yl)methylamino]ethyl]-3-[[2,2-difluoro-2-(1-oxidopyridin-1-ium-2-yl)ethyl]amino]pyrazin-2-one;6-chloro-1-[2-[2-(3-chlorophenyl)ethylamino]ethyl]-3-[[2,2-difluoro-2-(1-oxidopyridin-1-ium-2-yl)ethyl]amino]pyrazin-2-one;6-chloro-1-[2-[(3-chlorophenyl)methylamino]ethyl]-3-(2-piperidin-1-ylethylamino)pyrazin-2-one;6-chloro-1-[2-[(4-chlorophenyl)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-(1-oxidopyridin-1-ium-2-yl)ethyl]amino]pyrazin-2-one;1-[2-[2-(3-chlorophenyl)ethylamino]ethyl]-6-methyl-3-(2-morpholin-4-ylethylamino)pyrazin-2-one;1-[2-[2-(3-chlorophenyl)ethylamino]ethyl]-6-methyl-3-(2-piperidin-1-ylethylamino)pyrazin-2-one;1-[2-[(3-chlorophenyl)methylamino]ethyl]-6-methyl-3-(2-morpholin-4-ylethylamino)pyrazin-2-one;6-chloro-1-[2-[2-(pyridin-2-ylamino)ethylamino]ethyl]-3-(2-pyridin-2-ylethylamino)pyrazin-2-one;methane is C.C.Cc1cnc(NCCN2CCCCC2)c(=O)n1CCNCCc1cccc(Cl)c1.Cc1cnc(NCCN2CCOCC2)c(=O)n1CCNCCc1cccc(Cl)c1.Cc1cnc(NCCN2CCOCC2)c(=O)n1CCNCc1cccc(Cl)c1.O=c1c(NCC(F)(F)c2cccc[n+]2[O-])ncc(Cl)n1CCNCCc1cccc(Cl)c1.O=c1c(NCC(F)(F)c2cccc[n+]2[O-])ncc(Cl)n1CCNCc1[nH]nc2ccc(Cl)cc12.O=c1c(NCC(F)(F)c2cccc[n+]2[O-])nccn1CCNCc1[nH]nc2ccc(Cl)cc12.O=c1c(NCCN2CCCCC2)ncc(Cl)n1CCNCc1cccc(Cl)c1.O=c1c(NCCc2ccccn2)ncc(Cl)n1CCNCCNc1ccccn1.O=c1c(NCCc2ccccn2)ncc(Cl)n1CCNCc1ccc(Cl)cc1.
What is the InChIKey of 6-chloro-1-[2-[(5-chloro-2H-indazol-3-yl)methylamino]ethyl]-3-[[2,2-difluoro-2-(1-oxidopyridin-1-ium-2-yl)ethyl]amino]pyrazin-2-one;6-chloro-1-[2-[2-(3-chlorophenyl)ethylamino]ethyl]-3-[[2,2-difluoro-2-(1-oxidopyridin-1-ium-2-yl)ethyl]amino]pyrazin-2-one;6-chloro-1-[2-[(3-chlorophenyl)methylamino]ethyl]-3-(2-piperidin-1-ylethylamino)pyrazin-2-one;6-chloro-1-[2-[(4-chlorophenyl)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-(1-oxidopyridin-1-ium-2-yl)ethyl]amino]pyrazin-2-one;1-[2-[2-(3-chlorophenyl)ethylamino]ethyl]-6-methyl-3-(2-morpholin-4-ylethylamino)pyrazin-2-one;1-[2-[2-(3-chlorophenyl)ethylamino]ethyl]-6-methyl-3-(2-piperidin-1-ylethylamino)pyrazin-2-one;1-[2-[(3-chlorophenyl)methylamino]ethyl]-6-methyl-3-(2-morpholin-4-ylethylamino)pyrazin-2-one;6-chloro-1-[2-[2-(pyridin-2-ylamino)ethylamino]ethyl]-3-(2-pyridin-2-ylethylamino)pyrazin-2-one;methane?
The InChIKey is HMJZQPWRSPOHHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32ClN5O.C21H19Cl2F2N7O2.C21H21Cl2F2N5O2.C21H20ClF2N7O2.C21H30ClN5O2.C20H21Cl2N5O.C20H27Cl2N5O.C20H24ClN7O.C20H28ClN5O2.2CH4/c1-18-17-26-21(25-11-14-27-12-3-2-4-13-27)22(29)28(18)15-10-24-9-8-19-6-5-7-20(23)16-19;22-13-4-5-15-14(9-13)16(30-29-15)10-26-6-8-31-18(23)11-27-19(20(31)33)28-12-21(24,25)17-3-1-2-7-32(17)34;22-16-5-3-4-15(12-16)7-8-26-9-11-29-18(23)13-27-19(20(29)31)28-14-21(24,25)17-6-1-2-10-30(17)32;22-14-4-5-16-15(11-14)17(29-28-16)12-25-6-9-30-10-7-26-19(20(30)32)27-13-21(23,24)18-3-1-2-8-31(18)33;1-17-16-25-20(24-8-9-26-11-13-29-14-12-26)21(28)27(17)10-7-23-6-5-18-3-2-4-19(22)15-18;21-16-6-4-15(5-7-16)13-23-11-12-27-18(22)14-26-19(20(27)28)25-10-8-17-3-1-2-9-24-17;21-17-6-4-5-16(13-17)14-23-7-12-27-18(22)15-25-19(20(27)28)24-8-11-26-9-2-1-3-10-26;21-17-15-27-19(26-10-7-16-5-1-3-8-23-16)20(29)28(17)14-13-22-11-12-25-18-6-2-4-9-24-18;1-16-14-24-19(23-6-7-25-9-11-28-12-10-25)20(27)26(16)8-5-22-15-17-3-2-4-18(21)13-17;;/h5-7,16-17,24H,2-4,8-15H2,1H3,(H,25,26);1-5,7,9,11,26H,6,8,10,12H2,(H,27,28)(H,29,30);1-6,10,12-13,26H,7-9,11,14H2,(H,27,28);1-5,7-8,10-11,25H,6,9,12-13H2,(H,26,27)(H,28,29);2-4,15-16,23H,5-14H2,1H3,(H,24,25);1-7,9,14,23H,8,10-13H2,(H,25,26);4-6,13,15,23H,1-3,7-12,14H2,(H,24,25);1-6,8-9,15,22H,7,10-14H2,(H,24,25)(H,26,27);2-4,13-14,22H,5-12,15H2,1H3,(H,23,24);2*1H4.
What are the key properties of 6-chloro-1-[2-[(5-chloro-2H-indazol-3-yl)methylamino]ethyl]-3-[[2,2-difluoro-2-(1-oxidopyridin-1-ium-2-yl)ethyl]amino]pyrazin-2-one;6-chloro-1-[2-[2-(3-chlorophenyl)ethylamino]ethyl]-3-[[2,2-difluoro-2-(1-oxidopyridin-1-ium-2-yl)ethyl]amino]pyrazin-2-one;6-chloro-1-[2-[(3-chlorophenyl)methylamino]ethyl]-3-(2-piperidin-1-ylethylamino)pyrazin-2-one;6-chloro-1-[2-[(4-chlorophenyl)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-(1-oxidopyridin-1-ium-2-yl)ethyl]amino]pyrazin-2-one;1-[2-[2-(3-chlorophenyl)ethylamino]ethyl]-6-methyl-3-(2-morpholin-4-ylethylamino)pyrazin-2-one;1-[2-[2-(3-chlorophenyl)ethylamino]ethyl]-6-methyl-3-(2-piperidin-1-ylethylamino)pyrazin-2-one;1-[2-[(3-chlorophenyl)methylamino]ethyl]-6-methyl-3-(2-morpholin-4-ylethylamino)pyrazin-2-one;6-chloro-1-[2-[2-(pyridin-2-ylamino)ethylamino]ethyl]-3-(2-pyridin-2-ylethylamino)pyrazin-2-one;methane?
6-chloro-1-[2-[(5-chloro-2H-indazol-3-yl)methylamino]ethyl]-3-[[2,2-difluoro-2-(1-oxidopyridin-1-ium-2-yl)ethyl]amino]pyrazin-2-one;6-chloro-1-[2-[2-(3-chlorophenyl)ethylamino]ethyl]-3-[[2,2-difluoro-2-(1-oxidopyridin-1-ium-2-yl)ethyl]amino]pyrazin-2-one;6-chloro-1-[2-[(3-chlorophenyl)methylamino]ethyl]-3-(2-piperidin-1-ylethylamino)pyrazin-2-one;6-chloro-1-[2-[(4-chlorophenyl)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-(1-oxidopyridin-1-ium-2-yl)ethyl]amino]pyrazin-2-one;1-[2-[2-(3-chlorophenyl)ethylamino]ethyl]-6-methyl-3-(2-morpholin-4-ylethylamino)pyrazin-2-one;1-[2-[2-(3-chlorophenyl)ethylamino]ethyl]-6-methyl-3-(2-piperidin-1-ylethylamino)pyrazin-2-one;1-[2-[(3-chlorophenyl)methylamino]ethyl]-6-methyl-3-(2-morpholin-4-ylethylamino)pyrazin-2-one;6-chloro-1-[2-[2-(pyridin-2-ylamino)ethylamino]ethyl]-3-(2-pyridin-2-ylethylamino)pyrazin-2-one;methane has a molecular weight of 4003.13 g/mol, XLogP of 25.07, 86 rotatable bonds, 21 hydrogen bond donors, and 60 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-[2-[(5-chloro-2H-indazol-3-yl)methylamino]ethyl]-3-[[2,2-difluoro-2-(1-oxidopyridin-1-ium-2-yl)ethyl]amino]pyrazin-2-one;6-chloro-1-[2-[2-(3-chlorophenyl)ethylamino]ethyl]-3-[[2,2-difluoro-2-(1-oxidopyridin-1-ium-2-yl)ethyl]amino]pyrazin-2-one;6-chloro-1-[2-[(3-chlorophenyl)methylamino]ethyl]-3-(2-piperidin-1-ylethylamino)pyrazin-2-one;6-chloro-1-[2-[(4-chlorophenyl)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-(1-oxidopyridin-1-ium-2-yl)ethyl]amino]pyrazin-2-one;1-[2-[2-(3-chlorophenyl)ethylamino]ethyl]-6-methyl-3-(2-morpholin-4-ylethylamino)pyrazin-2-one;1-[2-[2-(3-chlorophenyl)ethylamino]ethyl]-6-methyl-3-(2-piperidin-1-ylethylamino)pyrazin-2-one;1-[2-[(3-chlorophenyl)methylamino]ethyl]-6-methyl-3-(2-morpholin-4-ylethylamino)pyrazin-2-one;6-chloro-1-[2-[2-(pyridin-2-ylamino)ethylamino]ethyl]-3-(2-pyridin-2-ylethylamino)pyrazin-2-one;methane is sourced from PubChem (CID 158522617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).