1-[2-(benzylamino)ethyl]-6-chloro-3-(2-pyridin-2-ylethylamino)pyrazin-2-one;1-[2-[(5-chloro-1-benzothiophen-3-yl)methylamino]ethyl]-6-methyl-3-(2-phenylethylamino)pyrazin-2-one;1-[2-[(5-chloro-1-benzothiophen-3-yl)methylamino]ethyl]-6-methyl-3-(2-pyridin-2-yloxyethylamino)pyrazin-2-one;6-chloro-1-[2-[2-(4-chlorophenyl)ethylamino]ethyl]-3-(2-pyridin-2-ylethylamino)pyrazin-2-one;6-chloro-1-[2-[[2-(4-chlorophenyl)phenyl]methylamino]ethyl]-3-(2-pyridin-2-ylethylamino)pyrazin-2-one;6-chloro-1-[2-[[3-(3-chlorophenyl)phenyl]methylamino]ethyl]-3-(2-pyridin-2-ylethylamino)pyrazin-2-one;6-chloro-3-(2-pyridin-2-ylethylamino)-1-[2-(2-pyridin-2-ylethylamino)ethyl]pyrazin-2-one;6-chloro-3-(2-pyridin-2-ylethylamino)-1-[2-(2-pyridin-3-ylethylamino)ethyl]pyrazin-2-one;6-chloro-3-(2-pyridin-2-ylethylamino)-1-[2-(pyridin-3-ylmethylamino)ethyl]pyrazin-2-one

C199H211Cl12N47O10S2 — CID 159444844

IUPAC1-[2-(benzylamino)ethyl]-6-chloro-3-(2-pyridin-2-ylethylamino)pyrazin-2-one;1-[2-[(5-chloro-1-benzothiophen-3-yl)methylamino]ethyl]-6-methyl-3-(2-phenylethylamino)pyrazin-2-one;1-[2-[(5-chloro-1-benzothiophen-3-yl)methylamino]ethyl]-6-methyl-3-(2-pyridin-2-yloxyethylamino)pyrazin-2-one;6-chloro-1-[2-[2-(4-chlorophenyl)ethylamino]ethyl]-3-(2-pyridin-2-ylethylamino)pyrazin-2-one;6-chloro-1-[2-[[2-(4-chlorophenyl)phenyl]methylamino]ethyl]-3-(2-pyridin-2-ylethylamino)pyrazin-2-one;6-chloro-1-[2-[[3-(3-chlorophenyl)phenyl]methylamino]ethyl]-3-(2-pyridin-2-ylethylamino)pyrazin-2-one;6-chloro-3-(2-pyridin-2-ylethylamino)-1-[2-(2-pyridin-2-ylethylamino)ethyl]pyrazin-2-one;6-chloro-3-(2-pyridin-2-ylethylamino)-1-[2-(2-pyridin-3-ylethylamino)ethyl]pyrazin-2-one;6-chloro-3-(2-pyridin-2-ylethylamino)-1-[2-(pyridin-3-ylmethylamino)ethyl]pyrazin-2-one
SMILESCc1cnc(NCCOc2ccccn2)c(=O)n1CCNCc1csc2ccc(Cl)cc12.Cc1cnc(NCCc2ccccc2)c(=O)n1CCNCc1csc2ccc(Cl)cc12.O=c1c(NCCc2ccccn2)ncc(Cl)n1CCNCCc1ccc(Cl)cc1.O=c1c(NCCc2ccccn2)ncc(Cl)n1CCNCCc1ccccn1.O=c1c(NCCc2ccccn2)ncc(Cl)n1CCNCCc1cccnc1.O=c1c(NCCc2ccccn2)ncc(Cl)n1CCNCc1cccc(-c2cccc(Cl)c2)c1.O=c1c(NCCc2ccccn2)ncc(Cl)n1CCNCc1ccccc1.O=c1c(NCCc2ccccn2)ncc(Cl)n1CCNCc1ccccc1-c1ccc(Cl)cc1.O=c1c(NCCc2ccccn2)ncc(Cl)n1CCNCc1cccnc1
InChIInChI=1S/2C26H25Cl2N5O.C24H25ClN4OS.C23H24ClN5O2S.C21H23Cl2N5O.2C20H23ClN6O.C20H22ClN5O.C19H21ClN6O/c27-22-8-4-7-21(16-22)20-6-3-5-19(15-20)17-29-13-14-33-24(28)18-32-25(26(33)34)31-12-10-23-9-1-2-11-30-23;27-21-10-8-19(9-11-21)23-7-2-1-5-20(23)17-29-15-16-33-24(28)18-32-25(26(33)34)31-14-12-22-6-3-4-13-30-22;1-17-14-28-23(27-10-9-18-5-3-2-4-6-18)24(30)29(17)12-11-26-15-19-16-31-22-8-7-20(25)13-21(19)22;1-16-13-28-22(27-9-11-31-21-4-2-3-7-26-21)23(30)29(16)10-8-25-14-17-15-32-20-6-5-18(24)12-19(17)20;22-17-6-4-16(5-7-17)8-11-24-13-14-28-19(23)15-27-20(21(28)29)26-12-9-18-3-1-2-10-25-18;21-18-15-26-19(25-12-8-17-6-2-4-10-24-17)20(28)27(18)14-13-22-11-7-16-5-1-3-9-23-16;21-18-15-26-19(25-11-7-17-5-1-2-9-24-17)20(28)27(18)13-12-22-10-6-16-4-3-8-23-14-16;21-18-15-25-19(24-11-9-17-8-4-5-10-23-17)20(27)26(18)13-12-22-14-16-6-2-1-3-7-16;20-17-14-25-18(24-9-6-16-5-1-2-8-23-16)19(27)26(17)11-10-22-13-15-4-3-7-21-12-15/h1-9,11,15-16,18,29H,10,12-14,17H2,(H,31,32);1-11,13,18,29H,12,14-17H2,(H,31,32);2-8,13-14,16,26H,9-12,15H2,1H3,(H,27,28);2-7,12-13,15,25H,8-11,14H2,1H3,(H,27,28);1-7,10,15,24H,8-9,11-14H2,(H,26,27);1-6,9-10,15,22H,7-8,11-14H2,(H,25,26);1-5,8-9,14-15,22H,6-7,10-13H2,(H,25,26);1-8,10,15,22H,9,11-14H2,(H,24,25);1-5,7-8,12,14,22H,6,9-11,13H2,(H,24,25)
InChIKeyLSQBUOAISYBJAY-UHFFFAOYSA-N
MW3910.77 g/mol
LogP31.72
Rot. Bonds87

About 1-[2-(benzylamino)ethyl]-6-chloro-3-(2-pyridin-2-ylethylamino)pyrazin-2-one;1-[2-[(5-chloro-1-benzothiophen-3-yl)methylamino]ethyl]-6-methyl-3-(2-phenylethylamino)pyrazin-2-one;1-[2-[(5-chloro-1-benzothiophen-3-yl)methylamino]ethyl]-6-methyl-3-(2-pyridin-2-yloxyethylamino)pyrazin-2-one;6-chloro-1-[2-[2-(4-chlorophenyl)ethylamino]ethyl]-3-(2-pyridin-2-ylethylamino)pyrazin-2-one;6-chloro-1-[2-[[2-(4-chlorophenyl)phenyl]methylamino]ethyl]-3-(2-pyridin-2-ylethylamino)pyrazin-2-one;6-chloro-1-[2-[[3-(3-chlorophenyl)phenyl]methylamino]ethyl]-3-(2-pyridin-2-ylethylamino)pyrazin-2-one;6-chloro-3-(2-pyridin-2-ylethylamino)-1-[2-(2-pyridin-2-ylethylamino)ethyl]pyrazin-2-one;6-chloro-3-(2-pyridin-2-ylethylamino)-1-[2-(2-pyridin-3-ylethylamino)ethyl]pyrazin-2-one;6-chloro-3-(2-pyridin-2-ylethylamino)-1-[2-(pyridin-3-ylmethylamino)ethyl]pyrazin-2-one

1-[2-(benzylamino)ethyl]-6-chloro-3-(2-pyridin-2-ylethylamino)pyrazin-2-one;1-[2-[(5-chloro-1-benzothiophen-3-yl)methylamino]ethyl]-6-methyl-3-(2-phenylethylamino)pyrazin-2-one;1-[2-[(5-chloro-1-benzothiophen-3-yl)methylamino]ethyl]-6-methyl-3-(2-pyridin-2-yloxyethylamino)pyrazin-2-one;6-chloro-1-[2-[2-(4-chlorophenyl)ethylamino]ethyl]-3-(2-pyridin-2-ylethylamino)pyrazin-2-one;6-chloro-1-[2-[[2-(4-chlorophenyl)phenyl]methylamino]ethyl]-3-(2-pyridin-2-ylethylamino)pyrazin-2-one;6-chloro-1-[2-[[3-(3-chlorophenyl)phenyl]methylamino]ethyl]-3-(2-pyridin-2-ylethylamino)pyrazin-2-one;6-chloro-3-(2-pyridin-2-ylethylamino)-1-[2-(2-pyridin-2-ylethylamino)ethyl]pyrazin-2-one;6-chloro-3-(2-pyridin-2-ylethylamino)-1-[2-(2-pyridin-3-ylethylamino)ethyl]pyrazin-2-one;6-chloro-3-(2-pyridin-2-ylethylamino)-1-[2-(pyridin-3-ylmethylamino)ethyl]pyrazin-2-one (PubChem CID 159444844) has the molecular formula C199H211Cl12N47O10S2 and a molecular weight of 3910.77 g/mol. Its IUPAC name is 1-[2-(benzylamino)ethyl]-6-chloro-3-(2-pyridin-2-ylethylamino)pyrazin-2-one;1-[2-[(5-chloro-1-benzothiophen-3-yl)methylamino]ethyl]-6-methyl-3-(2-phenylethylamino)pyrazin-2-one;1-[2-[(5-chloro-1-benzothiophen-3-yl)methylamino]ethyl]-6-methyl-3-(2-pyridin-2-yloxyethylamino)pyrazin-2-one;6-chloro-1-[2-[2-(4-chlorophenyl)ethylamino]ethyl]-3-(2-pyridin-2-ylethylamino)pyrazin-2-one;6-chloro-1-[2-[[2-(4-chlorophenyl)phenyl]methylamino]ethyl]-3-(2-pyridin-2-ylethylamino)pyrazin-2-one;6-chloro-1-[2-[[3-(3-chlorophenyl)phenyl]methylamino]ethyl]-3-(2-pyridin-2-ylethylamino)pyrazin-2-one;6-chloro-3-(2-pyridin-2-ylethylamino)-1-[2-(2-pyridin-2-ylethylamino)ethyl]pyrazin-2-one;6-chloro-3-(2-pyridin-2-ylethylamino)-1-[2-(2-pyridin-3-ylethylamino)ethyl]pyrazin-2-one;6-chloro-3-(2-pyridin-2-ylethylamino)-1-[2-(pyridin-3-ylmethylamino)ethyl]pyrazin-2-one.

Molecular Properties

Compound Name1-[2-(benzylamino)ethyl]-6-chloro-3-(2-pyridin-2-ylethylamino)pyrazin-2-one;1-[2-[(5-chloro-1-benzothiophen-3-yl)methylamino]ethyl]-6-methyl-3-(2-phenylethylamino)pyrazin-2-one;1-[2-[(5-chloro-1-benzothiophen-3-yl)methylamino]ethyl]-6-methyl-3-(2-pyridin-2-yloxyethylamino)pyrazin-2-one;6-chloro-1-[2-[2-(4-chlorophenyl)ethylamino]ethyl]-3-(2-pyridin-2-ylethylamino)pyrazin-2-one;6-chloro-1-[2-[[2-(4-chlorophenyl)phenyl]methylamino]ethyl]-3-(2-pyridin-2-ylethylamino)pyrazin-2-one;6-chloro-1-[2-[[3-(3-chlorophenyl)phenyl]methylamino]ethyl]-3-(2-pyridin-2-ylethylamino)pyrazin-2-one;6-chloro-3-(2-pyridin-2-ylethylamino)-1-[2-(2-pyridin-2-ylethylamino)ethyl]pyrazin-2-one;6-chloro-3-(2-pyridin-2-ylethylamino)-1-[2-(2-pyridin-3-ylethylamino)ethyl]pyrazin-2-one;6-chloro-3-(2-pyridin-2-ylethylamino)-1-[2-(pyridin-3-ylmethylamino)ethyl]pyrazin-2-one
PubChem CID159444844
Molecular FormulaC199H211Cl12N47O10S2
Molecular Weight3910.77 g/mol
Exact Mass3902.32
IUPAC Name1-[2-(benzylamino)ethyl]-6-chloro-3-(2-pyridin-2-ylethylamino)pyrazin-2-one;1-[2-[(5-chloro-1-benzothiophen-3-yl)methylamino]ethyl]-6-methyl-3-(2-phenylethylamino)pyrazin-2-one;1-[2-[(5-chloro-1-benzothiophen-3-yl)methylamino]ethyl]-6-methyl-3-(2-pyridin-2-yloxyethylamino)pyrazin-2-one;6-chloro-1-[2-[2-(4-chlorophenyl)ethylamino]ethyl]-3-(2-pyridin-2-ylethylamino)pyrazin-2-one;6-chloro-1-[2-[[2-(4-chlorophenyl)phenyl]methylamino]ethyl]-3-(2-pyridin-2-ylethylamino)pyrazin-2-one;6-chloro-1-[2-[[3-(3-chlorophenyl)phenyl]methylamino]ethyl]-3-(2-pyridin-2-ylethylamino)pyrazin-2-one;6-chloro-3-(2-pyridin-2-ylethylamino)-1-[2-(2-pyridin-2-ylethylamino)ethyl]pyrazin-2-one;6-chloro-3-(2-pyridin-2-ylethylamino)-1-[2-(2-pyridin-3-ylethylamino)ethyl]pyrazin-2-one;6-chloro-3-(2-pyridin-2-ylethylamino)-1-[2-(pyridin-3-ylmethylamino)ethyl]pyrazin-2-one
SMILESCc1cnc(NCCOc2ccccn2)c(=O)n1CCNCc1csc2ccc(Cl)cc12.Cc1cnc(NCCc2ccccc2)c(=O)n1CCNCc1csc2ccc(Cl)cc12.O=c1c(NCCc2ccccn2)ncc(Cl)n1CCNCCc1ccc(Cl)cc1.O=c1c(NCCc2ccccn2)ncc(Cl)n1CCNCCc1ccccn1.O=c1c(NCCc2ccccn2)ncc(Cl)n1CCNCCc1cccnc1.O=c1c(NCCc2ccccn2)ncc(Cl)n1CCNCc1cccc(-c2cccc(Cl)c2)c1.O=c1c(NCCc2ccccn2)ncc(Cl)n1CCNCc1ccccc1.O=c1c(NCCc2ccccn2)ncc(Cl)n1CCNCc1ccccc1-c1ccc(Cl)cc1.O=c1c(NCCc2ccccn2)ncc(Cl)n1CCNCc1cccnc1
InChIInChI=1S/2C26H25Cl2N5O.C24H25ClN4OS.C23H24ClN5O2S.C21H23Cl2N5O.2C20H23ClN6O.C20H22ClN5O.C19H21ClN6O/c27-22-8-4-7-21(16-22)20-6-3-5-19(15-20)17-29-13-14-33-24(28)18-32-25(26(33)34)31-12-10-23-9-1-2-11-30-23;27-21-10-8-19(9-11-21)23-7-2-1-5-20(23)17-29-15-16-33-24(28)18-32-25(26(33)34)31-14-12-22-6-3-4-13-30-22;1-17-14-28-23(27-10-9-18-5-3-2-4-6-18)24(30)29(17)12-11-26-15-19-16-31-22-8-7-20(25)13-21(19)22;1-16-13-28-22(27-9-11-31-21-4-2-3-7-26-21)23(30)29(16)10-8-25-14-17-15-32-20-6-5-18(24)12-19(17)20;22-17-6-4-16(5-7-17)8-11-24-13-14-28-19(23)15-27-20(21(28)29)26-12-9-18-3-1-2-10-25-18;21-18-15-26-19(25-12-8-17-6-2-4-10-24-17)20(28)27(18)14-13-22-11-7-16-5-1-3-9-23-16;21-18-15-26-19(25-11-7-17-5-1-2-9-24-17)20(28)27(18)13-12-22-10-6-16-4-3-8-23-14-16;21-18-15-25-19(24-11-9-17-8-4-5-10-23-17)20(27)26(18)13-12-22-14-16-6-2-1-3-7-16;20-17-14-25-18(24-9-6-16-5-1-2-8-23-16)19(27)26(17)11-10-22-13-15-4-3-7-21-12-15/h1-9,11,15-16,18,29H,10,12-14,17H2,(H,31,32);1-11,13,18,29H,12,14-17H2,(H,31,32);2-8,13-14,16,26H,9-12,15H2,1H3,(H,27,28);2-7,12-13,15,25H,8-11,14H2,1H3,(H,27,28);1-7,10,15,24H,8-9,11-14H2,(H,26,27);1-6,9-10,15,22H,7-8,11-14H2,(H,25,26);1-5,8-9,14-15,22H,6-7,10-13H2,(H,25,26);1-8,10,15,22H,9,11-14H2,(H,24,25);1-5,7-8,12,14,22H,6,9-11,13H2,(H,24,25)
InChIKeyLSQBUOAISYBJAY-UHFFFAOYSA-N
XLogP31.72
TPSA681.57 Ų
H-Bond Donors18
H-Bond Acceptors59
Rotatable Bonds87
Heavy Atoms270
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003910.77
LogP ≤ 531.72
H-Bond Donors ≤ 518
H-Bond Acceptors ≤ 1059

Computed Properties (RDKit)

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

Analyze 1-[2-(benzylamino)ethyl]-6-chloro-3-(2-pyridin-2-ylethylamino)pyrazin-2-one;1-[2-[(5-chloro-1-benzothiophen-3-yl)methylamino]ethyl]-6-methyl-3-(2-phenylethylamino)pyrazin-2-one;1-[2-[(5-chloro-1-benzothiophen-3-yl)methylamino]ethyl]-6-methyl-3-(2-pyridin-2-yloxyethylamino)pyrazin-2-one;6-chloro-1-[2-[2-(4-chlorophenyl)ethylamino]ethyl]-3-(2-pyridin-2-ylethylamino)pyrazin-2-one;6-chloro-1-[2-[[2-(4-chlorophenyl)phenyl]methylamino]ethyl]-3-(2-pyridin-2-ylethylamino)pyrazin-2-one;6-chloro-1-[2-[[3-(3-chlorophenyl)phenyl]methylamino]ethyl]-3-(2-pyridin-2-ylethylamino)pyrazin-2-one;6-chloro-3-(2-pyridin-2-ylethylamino)-1-[2-(2-pyridin-2-ylethylamino)ethyl]pyrazin-2-one;6-chloro-3-(2-pyridin-2-ylethylamino)-1-[2-(2-pyridin-3-ylethylamino)ethyl]pyrazin-2-one;6-chloro-3-(2-pyridin-2-ylethylamino)-1-[2-(pyridin-3-ylmethylamino)ethyl]pyrazin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2-(benzylamino)ethyl]-6-chloro-3-(2-pyridin-2-ylethylamino)pyrazin-2-one;1-[2-[(5-chloro-1-benzothiophen-3-yl)methylamino]ethyl]-6-methyl-3-(2-phenylethylamino)pyrazin-2-one;1-[2-[(5-chloro-1-benzothiophen-3-yl)methylamino]ethyl]-6-methyl-3-(2-pyridin-2-yloxyethylamino)pyrazin-2-one;6-chloro-1-[2-[2-(4-chlorophenyl)ethylamino]ethyl]-3-(2-pyridin-2-ylethylamino)pyrazin-2-one;6-chloro-1-[2-[[2-(4-chlorophenyl)phenyl]methylamino]ethyl]-3-(2-pyridin-2-ylethylamino)pyrazin-2-one;6-chloro-1-[2-[[3-(3-chlorophenyl)phenyl]methylamino]ethyl]-3-(2-pyridin-2-ylethylamino)pyrazin-2-one;6-chloro-3-(2-pyridin-2-ylethylamino)-1-[2-(2-pyridin-2-ylethylamino)ethyl]pyrazin-2-one;6-chloro-3-(2-pyridin-2-ylethylamino)-1-[2-(2-pyridin-3-ylethylamino)ethyl]pyrazin-2-one;6-chloro-3-(2-pyridin-2-ylethylamino)-1-[2-(pyridin-3-ylmethylamino)ethyl]pyrazin-2-one?
The IUPAC name of 1-[2-(benzylamino)ethyl]-6-chloro-3-(2-pyridin-2-ylethylamino)pyrazin-2-one;1-[2-[(5-chloro-1-benzothiophen-3-yl)methylamino]ethyl]-6-methyl-3-(2-phenylethylamino)pyrazin-2-one;1-[2-[(5-chloro-1-benzothiophen-3-yl)methylamino]ethyl]-6-methyl-3-(2-pyridin-2-yloxyethylamino)pyrazin-2-one;6-chloro-1-[2-[2-(4-chlorophenyl)ethylamino]ethyl]-3-(2-pyridin-2-ylethylamino)pyrazin-2-one;6-chloro-1-[2-[[2-(4-chlorophenyl)phenyl]methylamino]ethyl]-3-(2-pyridin-2-ylethylamino)pyrazin-2-one;6-chloro-1-[2-[[3-(3-chlorophenyl)phenyl]methylamino]ethyl]-3-(2-pyridin-2-ylethylamino)pyrazin-2-one;6-chloro-3-(2-pyridin-2-ylethylamino)-1-[2-(2-pyridin-2-ylethylamino)ethyl]pyrazin-2-one;6-chloro-3-(2-pyridin-2-ylethylamino)-1-[2-(2-pyridin-3-ylethylamino)ethyl]pyrazin-2-one;6-chloro-3-(2-pyridin-2-ylethylamino)-1-[2-(pyridin-3-ylmethylamino)ethyl]pyrazin-2-one (CID 159444844) is 1-[2-(benzylamino)ethyl]-6-chloro-3-(2-pyridin-2-ylethylamino)pyrazin-2-one;1-[2-[(5-chloro-1-benzothiophen-3-yl)methylamino]ethyl]-6-methyl-3-(2-phenylethylamino)pyrazin-2-one;1-[2-[(5-chloro-1-benzothiophen-3-yl)methylamino]ethyl]-6-methyl-3-(2-pyridin-2-yloxyethylamino)pyrazin-2-one;6-chloro-1-[2-[2-(4-chlorophenyl)ethylamino]ethyl]-3-(2-pyridin-2-ylethylamino)pyrazin-2-one;6-chloro-1-[2-[[2-(4-chlorophenyl)phenyl]methylamino]ethyl]-3-(2-pyridin-2-ylethylamino)pyrazin-2-one;6-chloro-1-[2-[[3-(3-chlorophenyl)phenyl]methylamino]ethyl]-3-(2-pyridin-2-ylethylamino)pyrazin-2-one;6-chloro-3-(2-pyridin-2-ylethylamino)-1-[2-(2-pyridin-2-ylethylamino)ethyl]pyrazin-2-one;6-chloro-3-(2-pyridin-2-ylethylamino)-1-[2-(2-pyridin-3-ylethylamino)ethyl]pyrazin-2-one;6-chloro-3-(2-pyridin-2-ylethylamino)-1-[2-(pyridin-3-ylmethylamino)ethyl]pyrazin-2-one.
What is the SMILES notation for 1-[2-(benzylamino)ethyl]-6-chloro-3-(2-pyridin-2-ylethylamino)pyrazin-2-one;1-[2-[(5-chloro-1-benzothiophen-3-yl)methylamino]ethyl]-6-methyl-3-(2-phenylethylamino)pyrazin-2-one;1-[2-[(5-chloro-1-benzothiophen-3-yl)methylamino]ethyl]-6-methyl-3-(2-pyridin-2-yloxyethylamino)pyrazin-2-one;6-chloro-1-[2-[2-(4-chlorophenyl)ethylamino]ethyl]-3-(2-pyridin-2-ylethylamino)pyrazin-2-one;6-chloro-1-[2-[[2-(4-chlorophenyl)phenyl]methylamino]ethyl]-3-(2-pyridin-2-ylethylamino)pyrazin-2-one;6-chloro-1-[2-[[3-(3-chlorophenyl)phenyl]methylamino]ethyl]-3-(2-pyridin-2-ylethylamino)pyrazin-2-one;6-chloro-3-(2-pyridin-2-ylethylamino)-1-[2-(2-pyridin-2-ylethylamino)ethyl]pyrazin-2-one;6-chloro-3-(2-pyridin-2-ylethylamino)-1-[2-(2-pyridin-3-ylethylamino)ethyl]pyrazin-2-one;6-chloro-3-(2-pyridin-2-ylethylamino)-1-[2-(pyridin-3-ylmethylamino)ethyl]pyrazin-2-one?
The canonical SMILES for 1-[2-(benzylamino)ethyl]-6-chloro-3-(2-pyridin-2-ylethylamino)pyrazin-2-one;1-[2-[(5-chloro-1-benzothiophen-3-yl)methylamino]ethyl]-6-methyl-3-(2-phenylethylamino)pyrazin-2-one;1-[2-[(5-chloro-1-benzothiophen-3-yl)methylamino]ethyl]-6-methyl-3-(2-pyridin-2-yloxyethylamino)pyrazin-2-one;6-chloro-1-[2-[2-(4-chlorophenyl)ethylamino]ethyl]-3-(2-pyridin-2-ylethylamino)pyrazin-2-one;6-chloro-1-[2-[[2-(4-chlorophenyl)phenyl]methylamino]ethyl]-3-(2-pyridin-2-ylethylamino)pyrazin-2-one;6-chloro-1-[2-[[3-(3-chlorophenyl)phenyl]methylamino]ethyl]-3-(2-pyridin-2-ylethylamino)pyrazin-2-one;6-chloro-3-(2-pyridin-2-ylethylamino)-1-[2-(2-pyridin-2-ylethylamino)ethyl]pyrazin-2-one;6-chloro-3-(2-pyridin-2-ylethylamino)-1-[2-(2-pyridin-3-ylethylamino)ethyl]pyrazin-2-one;6-chloro-3-(2-pyridin-2-ylethylamino)-1-[2-(pyridin-3-ylmethylamino)ethyl]pyrazin-2-one is Cc1cnc(NCCOc2ccccn2)c(=O)n1CCNCc1csc2ccc(Cl)cc12.Cc1cnc(NCCc2ccccc2)c(=O)n1CCNCc1csc2ccc(Cl)cc12.O=c1c(NCCc2ccccn2)ncc(Cl)n1CCNCCc1ccc(Cl)cc1.O=c1c(NCCc2ccccn2)ncc(Cl)n1CCNCCc1ccccn1.O=c1c(NCCc2ccccn2)ncc(Cl)n1CCNCCc1cccnc1.O=c1c(NCCc2ccccn2)ncc(Cl)n1CCNCc1cccc(-c2cccc(Cl)c2)c1.O=c1c(NCCc2ccccn2)ncc(Cl)n1CCNCc1ccccc1.O=c1c(NCCc2ccccn2)ncc(Cl)n1CCNCc1ccccc1-c1ccc(Cl)cc1.O=c1c(NCCc2ccccn2)ncc(Cl)n1CCNCc1cccnc1.
What is the InChIKey of 1-[2-(benzylamino)ethyl]-6-chloro-3-(2-pyridin-2-ylethylamino)pyrazin-2-one;1-[2-[(5-chloro-1-benzothiophen-3-yl)methylamino]ethyl]-6-methyl-3-(2-phenylethylamino)pyrazin-2-one;1-[2-[(5-chloro-1-benzothiophen-3-yl)methylamino]ethyl]-6-methyl-3-(2-pyridin-2-yloxyethylamino)pyrazin-2-one;6-chloro-1-[2-[2-(4-chlorophenyl)ethylamino]ethyl]-3-(2-pyridin-2-ylethylamino)pyrazin-2-one;6-chloro-1-[2-[[2-(4-chlorophenyl)phenyl]methylamino]ethyl]-3-(2-pyridin-2-ylethylamino)pyrazin-2-one;6-chloro-1-[2-[[3-(3-chlorophenyl)phenyl]methylamino]ethyl]-3-(2-pyridin-2-ylethylamino)pyrazin-2-one;6-chloro-3-(2-pyridin-2-ylethylamino)-1-[2-(2-pyridin-2-ylethylamino)ethyl]pyrazin-2-one;6-chloro-3-(2-pyridin-2-ylethylamino)-1-[2-(2-pyridin-3-ylethylamino)ethyl]pyrazin-2-one;6-chloro-3-(2-pyridin-2-ylethylamino)-1-[2-(pyridin-3-ylmethylamino)ethyl]pyrazin-2-one?
The InChIKey is LSQBUOAISYBJAY-UHFFFAOYSA-N. The full InChI is InChI=1S/2C26H25Cl2N5O.C24H25ClN4OS.C23H24ClN5O2S.C21H23Cl2N5O.2C20H23ClN6O.C20H22ClN5O.C19H21ClN6O/c27-22-8-4-7-21(16-22)20-6-3-5-19(15-20)17-29-13-14-33-24(28)18-32-25(26(33)34)31-12-10-23-9-1-2-11-30-23;27-21-10-8-19(9-11-21)23-7-2-1-5-20(23)17-29-15-16-33-24(28)18-32-25(26(33)34)31-14-12-22-6-3-4-13-30-22;1-17-14-28-23(27-10-9-18-5-3-2-4-6-18)24(30)29(17)12-11-26-15-19-16-31-22-8-7-20(25)13-21(19)22;1-16-13-28-22(27-9-11-31-21-4-2-3-7-26-21)23(30)29(16)10-8-25-14-17-15-32-20-6-5-18(24)12-19(17)20;22-17-6-4-16(5-7-17)8-11-24-13-14-28-19(23)15-27-20(21(28)29)26-12-9-18-3-1-2-10-25-18;21-18-15-26-19(25-12-8-17-6-2-4-10-24-17)20(28)27(18)14-13-22-11-7-16-5-1-3-9-23-16;21-18-15-26-19(25-11-7-17-5-1-2-9-24-17)20(28)27(18)13-12-22-10-6-16-4-3-8-23-14-16;21-18-15-25-19(24-11-9-17-8-4-5-10-23-17)20(27)26(18)13-12-22-14-16-6-2-1-3-7-16;20-17-14-25-18(24-9-6-16-5-1-2-8-23-16)19(27)26(17)11-10-22-13-15-4-3-7-21-12-15/h1-9,11,15-16,18,29H,10,12-14,17H2,(H,31,32);1-11,13,18,29H,12,14-17H2,(H,31,32);2-8,13-14,16,26H,9-12,15H2,1H3,(H,27,28);2-7,12-13,15,25H,8-11,14H2,1H3,(H,27,28);1-7,10,15,24H,8-9,11-14H2,(H,26,27);1-6,9-10,15,22H,7-8,11-14H2,(H,25,26);1-5,8-9,14-15,22H,6-7,10-13H2,(H,25,26);1-8,10,15,22H,9,11-14H2,(H,24,25);1-5,7-8,12,14,22H,6,9-11,13H2,(H,24,25).
What are the key properties of 1-[2-(benzylamino)ethyl]-6-chloro-3-(2-pyridin-2-ylethylamino)pyrazin-2-one;1-[2-[(5-chloro-1-benzothiophen-3-yl)methylamino]ethyl]-6-methyl-3-(2-phenylethylamino)pyrazin-2-one;1-[2-[(5-chloro-1-benzothiophen-3-yl)methylamino]ethyl]-6-methyl-3-(2-pyridin-2-yloxyethylamino)pyrazin-2-one;6-chloro-1-[2-[2-(4-chlorophenyl)ethylamino]ethyl]-3-(2-pyridin-2-ylethylamino)pyrazin-2-one;6-chloro-1-[2-[[2-(4-chlorophenyl)phenyl]methylamino]ethyl]-3-(2-pyridin-2-ylethylamino)pyrazin-2-one;6-chloro-1-[2-[[3-(3-chlorophenyl)phenyl]methylamino]ethyl]-3-(2-pyridin-2-ylethylamino)pyrazin-2-one;6-chloro-3-(2-pyridin-2-ylethylamino)-1-[2-(2-pyridin-2-ylethylamino)ethyl]pyrazin-2-one;6-chloro-3-(2-pyridin-2-ylethylamino)-1-[2-(2-pyridin-3-ylethylamino)ethyl]pyrazin-2-one;6-chloro-3-(2-pyridin-2-ylethylamino)-1-[2-(pyridin-3-ylmethylamino)ethyl]pyrazin-2-one?
1-[2-(benzylamino)ethyl]-6-chloro-3-(2-pyridin-2-ylethylamino)pyrazin-2-one;1-[2-[(5-chloro-1-benzothiophen-3-yl)methylamino]ethyl]-6-methyl-3-(2-phenylethylamino)pyrazin-2-one;1-[2-[(5-chloro-1-benzothiophen-3-yl)methylamino]ethyl]-6-methyl-3-(2-pyridin-2-yloxyethylamino)pyrazin-2-one;6-chloro-1-[2-[2-(4-chlorophenyl)ethylamino]ethyl]-3-(2-pyridin-2-ylethylamino)pyrazin-2-one;6-chloro-1-[2-[[2-(4-chlorophenyl)phenyl]methylamino]ethyl]-3-(2-pyridin-2-ylethylamino)pyrazin-2-one;6-chloro-1-[2-[[3-(3-chlorophenyl)phenyl]methylamino]ethyl]-3-(2-pyridin-2-ylethylamino)pyrazin-2-one;6-chloro-3-(2-pyridin-2-ylethylamino)-1-[2-(2-pyridin-2-ylethylamino)ethyl]pyrazin-2-one;6-chloro-3-(2-pyridin-2-ylethylamino)-1-[2-(2-pyridin-3-ylethylamino)ethyl]pyrazin-2-one;6-chloro-3-(2-pyridin-2-ylethylamino)-1-[2-(pyridin-3-ylmethylamino)ethyl]pyrazin-2-one has a molecular weight of 3910.77 g/mol, XLogP of 31.72, 87 rotatable bonds, 18 hydrogen bond donors, and 59 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(benzylamino)ethyl]-6-chloro-3-(2-pyridin-2-ylethylamino)pyrazin-2-one;1-[2-[(5-chloro-1-benzothiophen-3-yl)methylamino]ethyl]-6-methyl-3-(2-phenylethylamino)pyrazin-2-one;1-[2-[(5-chloro-1-benzothiophen-3-yl)methylamino]ethyl]-6-methyl-3-(2-pyridin-2-yloxyethylamino)pyrazin-2-one;6-chloro-1-[2-[2-(4-chlorophenyl)ethylamino]ethyl]-3-(2-pyridin-2-ylethylamino)pyrazin-2-one;6-chloro-1-[2-[[2-(4-chlorophenyl)phenyl]methylamino]ethyl]-3-(2-pyridin-2-ylethylamino)pyrazin-2-one;6-chloro-1-[2-[[3-(3-chlorophenyl)phenyl]methylamino]ethyl]-3-(2-pyridin-2-ylethylamino)pyrazin-2-one;6-chloro-3-(2-pyridin-2-ylethylamino)-1-[2-(2-pyridin-2-ylethylamino)ethyl]pyrazin-2-one;6-chloro-3-(2-pyridin-2-ylethylamino)-1-[2-(2-pyridin-3-ylethylamino)ethyl]pyrazin-2-one;6-chloro-3-(2-pyridin-2-ylethylamino)-1-[2-(pyridin-3-ylmethylamino)ethyl]pyrazin-2-one is sourced from PubChem (CID 159444844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).