1-[2-[(6-amino-2-methyl-3-pyridinyl)methylamino]ethyl]-6-chloro-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]pyrazin-2-one;2-[[4-[2-[(6-amino-2-methyl-3-pyridinyl)methylamino]ethyl]-5-methyl-3-oxopyrazin-2-yl]amino]-3-phenylpropanamide;1-[2-[(6-amino-2-methyl-3-pyridinyl)methylamino]ethyl]-6-methyl-3-(2-phenylethylamino)pyrazin-2-one;1-[2-[(6-amino-2-methyl-3-pyridinyl)methylamino]ethyl]-6-methyl-3-[2-(pyridin-2-ylamino)ethylamino]pyrazin-2-one;6-chloro-1-[2-[2-(3-chlorophenyl)ethylamino]ethyl]-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]pyrazin-2-one;2-[[4-[2-[2-(3-chlorophenyl)ethylamino]ethyl]-5-methyl-3-oxopyrazin-2-yl]amino]-3-phenylpropanamide;1-[2-[2-(3-chlorophenyl)ethylamino]ethyl]-6-methyl-3-[2-(pyridin-2-ylamino)ethylamino]pyrazin-2-one;2-[[4-[2-[(3-chlorophenyl)methylamino]ethyl]-5-methyl-3-oxopyrazin-2-yl]amino]-3-phenylpropanamide;1-[2-[(3-chlorophenyl)methylamino]ethyl]-6-methyl-3-[2-(pyridin-2-ylamino)ethylamino]pyrazin-2-one

C197H234Cl7F4N55O12 — CID 159146868

IUPAC1-[2-[(6-amino-2-methyl-3-pyridinyl)methylamino]ethyl]-6-chloro-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]pyrazin-2-one;2-[[4-[2-[(6-amino-2-methyl-3-pyridinyl)methylamino]ethyl]-5-methyl-3-oxopyrazin-2-yl]amino]-3-phenylpropanamide;1-[2-[(6-amino-2-methyl-3-pyridinyl)methylamino]ethyl]-6-methyl-3-(2-phenylethylamino)pyrazin-2-one;1-[2-[(6-amino-2-methyl-3-pyridinyl)methylamino]ethyl]-6-methyl-3-[2-(pyridin-2-ylamino)ethylamino]pyrazin-2-one;6-chloro-1-[2-[2-(3-chlorophenyl)ethylamino]ethyl]-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]pyrazin-2-one;2-[[4-[2-[2-(3-chlorophenyl)ethylamino]ethyl]-5-methyl-3-oxopyrazin-2-yl]amino]-3-phenylpropanamide;1-[2-[2-(3-chlorophenyl)ethylamino]ethyl]-6-methyl-3-[2-(pyridin-2-ylamino)ethylamino]pyrazin-2-one;2-[[4-[2-[(3-chlorophenyl)methylamino]ethyl]-5-methyl-3-oxopyrazin-2-yl]amino]-3-phenylpropanamide;1-[2-[(3-chlorophenyl)methylamino]ethyl]-6-methyl-3-[2-(pyridin-2-ylamino)ethylamino]pyrazin-2-one
SMILESCc1cnc(NC(Cc2ccccc2)C(N)=O)c(=O)n1CCNCCc1cccc(Cl)c1.Cc1cnc(NC(Cc2ccccc2)C(N)=O)c(=O)n1CCNCc1cccc(Cl)c1.Cc1cnc(NCCNc2ccccn2)c(=O)n1CCNCCc1cccc(Cl)c1.Cc1cnc(NCCNc2ccccn2)c(=O)n1CCNCc1cccc(Cl)c1.Cc1nc(N)ccc1CNCCn1c(C)cnc(NC(Cc2ccccc2)C(N)=O)c1=O.Cc1nc(N)ccc1CNCCn1c(C)cnc(NCCNc2ccccn2)c1=O.Cc1nc(N)ccc1CNCCn1c(C)cnc(NCCc2ccccc2)c1=O.Cc1nc(N)ccc1CNCCn1c(Cl)cnc(NCC(F)(F)c2ccccn2)c1=O.O=c1c(NCC(F)(F)c2ccccn2)ncc(Cl)n1CCNCCc1cccc(Cl)c1
InChIInChI=1S/C24H28ClN5O2.C23H26ClN5O2.C23H29N7O2.C22H27ClN6O.C22H28N6O.C21H21Cl2F2N5O.C21H25ClN6O.C21H28N8O.C20H22ClF2N7O/c1-17-16-28-23(29-21(22(26)31)15-18-6-3-2-4-7-18)24(32)30(17)13-12-27-11-10-19-8-5-9-20(25)14-19;1-16-14-27-22(28-20(21(25)30)13-17-6-3-2-4-7-17)23(31)29(16)11-10-26-15-18-8-5-9-19(24)12-18;1-15-13-27-22(29-19(21(25)31)12-17-6-4-3-5-7-17)23(32)30(15)11-10-26-14-18-8-9-20(24)28-16(18)2;1-17-16-28-21(27-12-11-26-20-7-2-3-9-25-20)22(30)29(17)14-13-24-10-8-18-5-4-6-19(23)15-18;1-16-14-26-21(25-11-10-18-6-4-3-5-7-18)22(29)28(16)13-12-24-15-19-8-9-20(23)27-17(19)2;22-16-5-3-4-15(12-16)7-9-26-10-11-30-18(23)13-28-19(20(30)31)29-14-21(24,25)17-6-1-2-8-27-17;1-16-14-27-20(26-10-9-25-19-7-2-3-8-24-19)21(29)28(16)12-11-23-15-17-5-4-6-18(22)13-17;1-15-13-27-20(26-10-9-25-19-5-3-4-8-24-19)21(30)29(15)12-11-23-14-17-6-7-18(22)28-16(17)2;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/h2-9,14,16,21,27H,10-13,15H2,1H3,(H2,26,31)(H,28,29);2-9,12,14,20,26H,10-11,13,15H2,1H3,(H2,25,30)(H,27,28);3-9,13,19,26H,10-12,14H2,1-2H3,(H2,24,28)(H2,25,31)(H,27,29);2-7,9,15-16,24H,8,10-14H2,1H3,(H,25,26)(H,27,28);3-9,14,24H,10-13,15H2,1-2H3,(H2,23,27)(H,25,26);1-6,8,12-13,26H,7,9-11,14H2,(H,28,29);2-8,13-14,23H,9-12,15H2,1H3,(H,24,25)(H,26,27);3-8,13,23H,9-12,14H2,1-2H3,(H2,22,28)(H,24,25)(H,26,27);2-7,11,25H,8-10,12H2,1H3,(H2,24,29)(H,27,28)
InChIKeyKIUDQLGBTXOEDF-UHFFFAOYSA-N
MW3888.57 g/mol
LogP22.44
Rot. Bonds90

About 1-[2-[(6-amino-2-methyl-3-pyridinyl)methylamino]ethyl]-6-chloro-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]pyrazin-2-one;2-[[4-[2-[(6-amino-2-methyl-3-pyridinyl)methylamino]ethyl]-5-methyl-3-oxopyrazin-2-yl]amino]-3-phenylpropanamide;1-[2-[(6-amino-2-methyl-3-pyridinyl)methylamino]ethyl]-6-methyl-3-(2-phenylethylamino)pyrazin-2-one;1-[2-[(6-amino-2-methyl-3-pyridinyl)methylamino]ethyl]-6-methyl-3-[2-(pyridin-2-ylamino)ethylamino]pyrazin-2-one;6-chloro-1-[2-[2-(3-chlorophenyl)ethylamino]ethyl]-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]pyrazin-2-one;2-[[4-[2-[2-(3-chlorophenyl)ethylamino]ethyl]-5-methyl-3-oxopyrazin-2-yl]amino]-3-phenylpropanamide;1-[2-[2-(3-chlorophenyl)ethylamino]ethyl]-6-methyl-3-[2-(pyridin-2-ylamino)ethylamino]pyrazin-2-one;2-[[4-[2-[(3-chlorophenyl)methylamino]ethyl]-5-methyl-3-oxopyrazin-2-yl]amino]-3-phenylpropanamide;1-[2-[(3-chlorophenyl)methylamino]ethyl]-6-methyl-3-[2-(pyridin-2-ylamino)ethylamino]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;2-[[4-[2-[(6-amino-2-methyl-3-pyridinyl)methylamino]ethyl]-5-methyl-3-oxopyrazin-2-yl]amino]-3-phenylpropanamide;1-[2-[(6-amino-2-methyl-3-pyridinyl)methylamino]ethyl]-6-methyl-3-(2-phenylethylamino)pyrazin-2-one;1-[2-[(6-amino-2-methyl-3-pyridinyl)methylamino]ethyl]-6-methyl-3-[2-(pyridin-2-ylamino)ethylamino]pyrazin-2-one;6-chloro-1-[2-[2-(3-chlorophenyl)ethylamino]ethyl]-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]pyrazin-2-one;2-[[4-[2-[2-(3-chlorophenyl)ethylamino]ethyl]-5-methyl-3-oxopyrazin-2-yl]amino]-3-phenylpropanamide;1-[2-[2-(3-chlorophenyl)ethylamino]ethyl]-6-methyl-3-[2-(pyridin-2-ylamino)ethylamino]pyrazin-2-one;2-[[4-[2-[(3-chlorophenyl)methylamino]ethyl]-5-methyl-3-oxopyrazin-2-yl]amino]-3-phenylpropanamide;1-[2-[(3-chlorophenyl)methylamino]ethyl]-6-methyl-3-[2-(pyridin-2-ylamino)ethylamino]pyrazin-2-one (PubChem CID 159146868) has the molecular formula C197H234Cl7F4N55O12 and a molecular weight of 3888.57 g/mol. Its IUPAC name is 1-[2-[(6-amino-2-methyl-3-pyridinyl)methylamino]ethyl]-6-chloro-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]pyrazin-2-one;2-[[4-[2-[(6-amino-2-methyl-3-pyridinyl)methylamino]ethyl]-5-methyl-3-oxopyrazin-2-yl]amino]-3-phenylpropanamide;1-[2-[(6-amino-2-methyl-3-pyridinyl)methylamino]ethyl]-6-methyl-3-(2-phenylethylamino)pyrazin-2-one;1-[2-[(6-amino-2-methyl-3-pyridinyl)methylamino]ethyl]-6-methyl-3-[2-(pyridin-2-ylamino)ethylamino]pyrazin-2-one;6-chloro-1-[2-[2-(3-chlorophenyl)ethylamino]ethyl]-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]pyrazin-2-one;2-[[4-[2-[2-(3-chlorophenyl)ethylamino]ethyl]-5-methyl-3-oxopyrazin-2-yl]amino]-3-phenylpropanamide;1-[2-[2-(3-chlorophenyl)ethylamino]ethyl]-6-methyl-3-[2-(pyridin-2-ylamino)ethylamino]pyrazin-2-one;2-[[4-[2-[(3-chlorophenyl)methylamino]ethyl]-5-methyl-3-oxopyrazin-2-yl]amino]-3-phenylpropanamide;1-[2-[(3-chlorophenyl)methylamino]ethyl]-6-methyl-3-[2-(pyridin-2-ylamino)ethylamino]pyrazin-2-one.

Molecular Properties

Compound Name1-[2-[(6-amino-2-methyl-3-pyridinyl)methylamino]ethyl]-6-chloro-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]pyrazin-2-one;2-[[4-[2-[(6-amino-2-methyl-3-pyridinyl)methylamino]ethyl]-5-methyl-3-oxopyrazin-2-yl]amino]-3-phenylpropanamide;1-[2-[(6-amino-2-methyl-3-pyridinyl)methylamino]ethyl]-6-methyl-3-(2-phenylethylamino)pyrazin-2-one;1-[2-[(6-amino-2-methyl-3-pyridinyl)methylamino]ethyl]-6-methyl-3-[2-(pyridin-2-ylamino)ethylamino]pyrazin-2-one;6-chloro-1-[2-[2-(3-chlorophenyl)ethylamino]ethyl]-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]pyrazin-2-one;2-[[4-[2-[2-(3-chlorophenyl)ethylamino]ethyl]-5-methyl-3-oxopyrazin-2-yl]amino]-3-phenylpropanamide;1-[2-[2-(3-chlorophenyl)ethylamino]ethyl]-6-methyl-3-[2-(pyridin-2-ylamino)ethylamino]pyrazin-2-one;2-[[4-[2-[(3-chlorophenyl)methylamino]ethyl]-5-methyl-3-oxopyrazin-2-yl]amino]-3-phenylpropanamide;1-[2-[(3-chlorophenyl)methylamino]ethyl]-6-methyl-3-[2-(pyridin-2-ylamino)ethylamino]pyrazin-2-one
PubChem CID159146868
Molecular FormulaC197H234Cl7F4N55O12
Molecular Weight3888.57 g/mol
Exact Mass3882.71
IUPAC Name1-[2-[(6-amino-2-methyl-3-pyridinyl)methylamino]ethyl]-6-chloro-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]pyrazin-2-one;2-[[4-[2-[(6-amino-2-methyl-3-pyridinyl)methylamino]ethyl]-5-methyl-3-oxopyrazin-2-yl]amino]-3-phenylpropanamide;1-[2-[(6-amino-2-methyl-3-pyridinyl)methylamino]ethyl]-6-methyl-3-(2-phenylethylamino)pyrazin-2-one;1-[2-[(6-amino-2-methyl-3-pyridinyl)methylamino]ethyl]-6-methyl-3-[2-(pyridin-2-ylamino)ethylamino]pyrazin-2-one;6-chloro-1-[2-[2-(3-chlorophenyl)ethylamino]ethyl]-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]pyrazin-2-one;2-[[4-[2-[2-(3-chlorophenyl)ethylamino]ethyl]-5-methyl-3-oxopyrazin-2-yl]amino]-3-phenylpropanamide;1-[2-[2-(3-chlorophenyl)ethylamino]ethyl]-6-methyl-3-[2-(pyridin-2-ylamino)ethylamino]pyrazin-2-one;2-[[4-[2-[(3-chlorophenyl)methylamino]ethyl]-5-methyl-3-oxopyrazin-2-yl]amino]-3-phenylpropanamide;1-[2-[(3-chlorophenyl)methylamino]ethyl]-6-methyl-3-[2-(pyridin-2-ylamino)ethylamino]pyrazin-2-one
SMILESCc1cnc(NC(Cc2ccccc2)C(N)=O)c(=O)n1CCNCCc1cccc(Cl)c1.Cc1cnc(NC(Cc2ccccc2)C(N)=O)c(=O)n1CCNCc1cccc(Cl)c1.Cc1cnc(NCCNc2ccccn2)c(=O)n1CCNCCc1cccc(Cl)c1.Cc1cnc(NCCNc2ccccn2)c(=O)n1CCNCc1cccc(Cl)c1.Cc1nc(N)ccc1CNCCn1c(C)cnc(NC(Cc2ccccc2)C(N)=O)c1=O.Cc1nc(N)ccc1CNCCn1c(C)cnc(NCCNc2ccccn2)c1=O.Cc1nc(N)ccc1CNCCn1c(C)cnc(NCCc2ccccc2)c1=O.Cc1nc(N)ccc1CNCCn1c(Cl)cnc(NCC(F)(F)c2ccccn2)c1=O.O=c1c(NCC(F)(F)c2ccccn2)ncc(Cl)n1CCNCCc1cccc(Cl)c1
InChIInChI=1S/C24H28ClN5O2.C23H26ClN5O2.C23H29N7O2.C22H27ClN6O.C22H28N6O.C21H21Cl2F2N5O.C21H25ClN6O.C21H28N8O.C20H22ClF2N7O/c1-17-16-28-23(29-21(22(26)31)15-18-6-3-2-4-7-18)24(32)30(17)13-12-27-11-10-19-8-5-9-20(25)14-19;1-16-14-27-22(28-20(21(25)30)13-17-6-3-2-4-7-17)23(31)29(16)11-10-26-15-18-8-5-9-19(24)12-18;1-15-13-27-22(29-19(21(25)31)12-17-6-4-3-5-7-17)23(32)30(15)11-10-26-14-18-8-9-20(24)28-16(18)2;1-17-16-28-21(27-12-11-26-20-7-2-3-9-25-20)22(30)29(17)14-13-24-10-8-18-5-4-6-19(23)15-18;1-16-14-26-21(25-11-10-18-6-4-3-5-7-18)22(29)28(16)13-12-24-15-19-8-9-20(23)27-17(19)2;22-16-5-3-4-15(12-16)7-9-26-10-11-30-18(23)13-28-19(20(30)31)29-14-21(24,25)17-6-1-2-8-27-17;1-16-14-27-20(26-10-9-25-19-7-2-3-8-24-19)21(29)28(16)12-11-23-15-17-5-4-6-18(22)13-17;1-15-13-27-20(26-10-9-25-19-5-3-4-8-24-19)21(30)29(15)12-11-23-14-17-6-7-18(22)28-16(17)2;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/h2-9,14,16,21,27H,10-13,15H2,1H3,(H2,26,31)(H,28,29);2-9,12,14,20,26H,10-11,13,15H2,1H3,(H2,25,30)(H,27,28);3-9,13,19,26H,10-12,14H2,1-2H3,(H2,24,28)(H2,25,31)(H,27,29);2-7,9,15-16,24H,8,10-14H2,1H3,(H,25,26)(H,27,28);3-9,14,24H,10-13,15H2,1-2H3,(H2,23,27)(H,25,26);1-6,8,12-13,26H,7,9-11,14H2,(H,28,29);2-8,13-14,23H,9-12,15H2,1H3,(H,24,25)(H,26,27);3-8,13,23H,9-12,14H2,1-2H3,(H2,22,28)(H,24,25)(H,26,27);2-7,11,25H,8-10,12H2,1H3,(H2,24,29)(H,27,28)
InChIKeyKIUDQLGBTXOEDF-UHFFFAOYSA-N
XLogP22.44
TPSA916.00 Ų
H-Bond Donors28
H-Bond Acceptors64
Rotatable Bonds90
Heavy Atoms275
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003888.57
LogP ≤ 522.44
H-Bond Donors ≤ 528
H-Bond Acceptors ≤ 1064

Computed Properties (RDKit)

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

Analyze 1-[2-[(6-amino-2-methyl-3-pyridinyl)methylamino]ethyl]-6-chloro-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]pyrazin-2-one;2-[[4-[2-[(6-amino-2-methyl-3-pyridinyl)methylamino]ethyl]-5-methyl-3-oxopyrazin-2-yl]amino]-3-phenylpropanamide;1-[2-[(6-amino-2-methyl-3-pyridinyl)methylamino]ethyl]-6-methyl-3-(2-phenylethylamino)pyrazin-2-one;1-[2-[(6-amino-2-methyl-3-pyridinyl)methylamino]ethyl]-6-methyl-3-[2-(pyridin-2-ylamino)ethylamino]pyrazin-2-one;6-chloro-1-[2-[2-(3-chlorophenyl)ethylamino]ethyl]-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]pyrazin-2-one;2-[[4-[2-[2-(3-chlorophenyl)ethylamino]ethyl]-5-methyl-3-oxopyrazin-2-yl]amino]-3-phenylpropanamide;1-[2-[2-(3-chlorophenyl)ethylamino]ethyl]-6-methyl-3-[2-(pyridin-2-ylamino)ethylamino]pyrazin-2-one;2-[[4-[2-[(3-chlorophenyl)methylamino]ethyl]-5-methyl-3-oxopyrazin-2-yl]amino]-3-phenylpropanamide;1-[2-[(3-chlorophenyl)methylamino]ethyl]-6-methyl-3-[2-(pyridin-2-ylamino)ethylamino]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-pyridin-2-ylethyl)amino]pyrazin-2-one;2-[[4-[2-[(6-amino-2-methyl-3-pyridinyl)methylamino]ethyl]-5-methyl-3-oxopyrazin-2-yl]amino]-3-phenylpropanamide;1-[2-[(6-amino-2-methyl-3-pyridinyl)methylamino]ethyl]-6-methyl-3-(2-phenylethylamino)pyrazin-2-one;1-[2-[(6-amino-2-methyl-3-pyridinyl)methylamino]ethyl]-6-methyl-3-[2-(pyridin-2-ylamino)ethylamino]pyrazin-2-one;6-chloro-1-[2-[2-(3-chlorophenyl)ethylamino]ethyl]-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]pyrazin-2-one;2-[[4-[2-[2-(3-chlorophenyl)ethylamino]ethyl]-5-methyl-3-oxopyrazin-2-yl]amino]-3-phenylpropanamide;1-[2-[2-(3-chlorophenyl)ethylamino]ethyl]-6-methyl-3-[2-(pyridin-2-ylamino)ethylamino]pyrazin-2-one;2-[[4-[2-[(3-chlorophenyl)methylamino]ethyl]-5-methyl-3-oxopyrazin-2-yl]amino]-3-phenylpropanamide;1-[2-[(3-chlorophenyl)methylamino]ethyl]-6-methyl-3-[2-(pyridin-2-ylamino)ethylamino]pyrazin-2-one?
The IUPAC name of 1-[2-[(6-amino-2-methyl-3-pyridinyl)methylamino]ethyl]-6-chloro-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]pyrazin-2-one;2-[[4-[2-[(6-amino-2-methyl-3-pyridinyl)methylamino]ethyl]-5-methyl-3-oxopyrazin-2-yl]amino]-3-phenylpropanamide;1-[2-[(6-amino-2-methyl-3-pyridinyl)methylamino]ethyl]-6-methyl-3-(2-phenylethylamino)pyrazin-2-one;1-[2-[(6-amino-2-methyl-3-pyridinyl)methylamino]ethyl]-6-methyl-3-[2-(pyridin-2-ylamino)ethylamino]pyrazin-2-one;6-chloro-1-[2-[2-(3-chlorophenyl)ethylamino]ethyl]-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]pyrazin-2-one;2-[[4-[2-[2-(3-chlorophenyl)ethylamino]ethyl]-5-methyl-3-oxopyrazin-2-yl]amino]-3-phenylpropanamide;1-[2-[2-(3-chlorophenyl)ethylamino]ethyl]-6-methyl-3-[2-(pyridin-2-ylamino)ethylamino]pyrazin-2-one;2-[[4-[2-[(3-chlorophenyl)methylamino]ethyl]-5-methyl-3-oxopyrazin-2-yl]amino]-3-phenylpropanamide;1-[2-[(3-chlorophenyl)methylamino]ethyl]-6-methyl-3-[2-(pyridin-2-ylamino)ethylamino]pyrazin-2-one (CID 159146868) is 1-[2-[(6-amino-2-methyl-3-pyridinyl)methylamino]ethyl]-6-chloro-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]pyrazin-2-one;2-[[4-[2-[(6-amino-2-methyl-3-pyridinyl)methylamino]ethyl]-5-methyl-3-oxopyrazin-2-yl]amino]-3-phenylpropanamide;1-[2-[(6-amino-2-methyl-3-pyridinyl)methylamino]ethyl]-6-methyl-3-(2-phenylethylamino)pyrazin-2-one;1-[2-[(6-amino-2-methyl-3-pyridinyl)methylamino]ethyl]-6-methyl-3-[2-(pyridin-2-ylamino)ethylamino]pyrazin-2-one;6-chloro-1-[2-[2-(3-chlorophenyl)ethylamino]ethyl]-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]pyrazin-2-one;2-[[4-[2-[2-(3-chlorophenyl)ethylamino]ethyl]-5-methyl-3-oxopyrazin-2-yl]amino]-3-phenylpropanamide;1-[2-[2-(3-chlorophenyl)ethylamino]ethyl]-6-methyl-3-[2-(pyridin-2-ylamino)ethylamino]pyrazin-2-one;2-[[4-[2-[(3-chlorophenyl)methylamino]ethyl]-5-methyl-3-oxopyrazin-2-yl]amino]-3-phenylpropanamide;1-[2-[(3-chlorophenyl)methylamino]ethyl]-6-methyl-3-[2-(pyridin-2-ylamino)ethylamino]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-pyridin-2-ylethyl)amino]pyrazin-2-one;2-[[4-[2-[(6-amino-2-methyl-3-pyridinyl)methylamino]ethyl]-5-methyl-3-oxopyrazin-2-yl]amino]-3-phenylpropanamide;1-[2-[(6-amino-2-methyl-3-pyridinyl)methylamino]ethyl]-6-methyl-3-(2-phenylethylamino)pyrazin-2-one;1-[2-[(6-amino-2-methyl-3-pyridinyl)methylamino]ethyl]-6-methyl-3-[2-(pyridin-2-ylamino)ethylamino]pyrazin-2-one;6-chloro-1-[2-[2-(3-chlorophenyl)ethylamino]ethyl]-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]pyrazin-2-one;2-[[4-[2-[2-(3-chlorophenyl)ethylamino]ethyl]-5-methyl-3-oxopyrazin-2-yl]amino]-3-phenylpropanamide;1-[2-[2-(3-chlorophenyl)ethylamino]ethyl]-6-methyl-3-[2-(pyridin-2-ylamino)ethylamino]pyrazin-2-one;2-[[4-[2-[(3-chlorophenyl)methylamino]ethyl]-5-methyl-3-oxopyrazin-2-yl]amino]-3-phenylpropanamide;1-[2-[(3-chlorophenyl)methylamino]ethyl]-6-methyl-3-[2-(pyridin-2-ylamino)ethylamino]pyrazin-2-one?
The canonical SMILES for 1-[2-[(6-amino-2-methyl-3-pyridinyl)methylamino]ethyl]-6-chloro-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]pyrazin-2-one;2-[[4-[2-[(6-amino-2-methyl-3-pyridinyl)methylamino]ethyl]-5-methyl-3-oxopyrazin-2-yl]amino]-3-phenylpropanamide;1-[2-[(6-amino-2-methyl-3-pyridinyl)methylamino]ethyl]-6-methyl-3-(2-phenylethylamino)pyrazin-2-one;1-[2-[(6-amino-2-methyl-3-pyridinyl)methylamino]ethyl]-6-methyl-3-[2-(pyridin-2-ylamino)ethylamino]pyrazin-2-one;6-chloro-1-[2-[2-(3-chlorophenyl)ethylamino]ethyl]-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]pyrazin-2-one;2-[[4-[2-[2-(3-chlorophenyl)ethylamino]ethyl]-5-methyl-3-oxopyrazin-2-yl]amino]-3-phenylpropanamide;1-[2-[2-(3-chlorophenyl)ethylamino]ethyl]-6-methyl-3-[2-(pyridin-2-ylamino)ethylamino]pyrazin-2-one;2-[[4-[2-[(3-chlorophenyl)methylamino]ethyl]-5-methyl-3-oxopyrazin-2-yl]amino]-3-phenylpropanamide;1-[2-[(3-chlorophenyl)methylamino]ethyl]-6-methyl-3-[2-(pyridin-2-ylamino)ethylamino]pyrazin-2-one is Cc1cnc(NC(Cc2ccccc2)C(N)=O)c(=O)n1CCNCCc1cccc(Cl)c1.Cc1cnc(NC(Cc2ccccc2)C(N)=O)c(=O)n1CCNCc1cccc(Cl)c1.Cc1cnc(NCCNc2ccccn2)c(=O)n1CCNCCc1cccc(Cl)c1.Cc1cnc(NCCNc2ccccn2)c(=O)n1CCNCc1cccc(Cl)c1.Cc1nc(N)ccc1CNCCn1c(C)cnc(NC(Cc2ccccc2)C(N)=O)c1=O.Cc1nc(N)ccc1CNCCn1c(C)cnc(NCCNc2ccccn2)c1=O.Cc1nc(N)ccc1CNCCn1c(C)cnc(NCCc2ccccc2)c1=O.Cc1nc(N)ccc1CNCCn1c(Cl)cnc(NCC(F)(F)c2ccccn2)c1=O.O=c1c(NCC(F)(F)c2ccccn2)ncc(Cl)n1CCNCCc1cccc(Cl)c1.
What is the InChIKey of 1-[2-[(6-amino-2-methyl-3-pyridinyl)methylamino]ethyl]-6-chloro-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]pyrazin-2-one;2-[[4-[2-[(6-amino-2-methyl-3-pyridinyl)methylamino]ethyl]-5-methyl-3-oxopyrazin-2-yl]amino]-3-phenylpropanamide;1-[2-[(6-amino-2-methyl-3-pyridinyl)methylamino]ethyl]-6-methyl-3-(2-phenylethylamino)pyrazin-2-one;1-[2-[(6-amino-2-methyl-3-pyridinyl)methylamino]ethyl]-6-methyl-3-[2-(pyridin-2-ylamino)ethylamino]pyrazin-2-one;6-chloro-1-[2-[2-(3-chlorophenyl)ethylamino]ethyl]-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]pyrazin-2-one;2-[[4-[2-[2-(3-chlorophenyl)ethylamino]ethyl]-5-methyl-3-oxopyrazin-2-yl]amino]-3-phenylpropanamide;1-[2-[2-(3-chlorophenyl)ethylamino]ethyl]-6-methyl-3-[2-(pyridin-2-ylamino)ethylamino]pyrazin-2-one;2-[[4-[2-[(3-chlorophenyl)methylamino]ethyl]-5-methyl-3-oxopyrazin-2-yl]amino]-3-phenylpropanamide;1-[2-[(3-chlorophenyl)methylamino]ethyl]-6-methyl-3-[2-(pyridin-2-ylamino)ethylamino]pyrazin-2-one?
The InChIKey is KIUDQLGBTXOEDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28ClN5O2.C23H26ClN5O2.C23H29N7O2.C22H27ClN6O.C22H28N6O.C21H21Cl2F2N5O.C21H25ClN6O.C21H28N8O.C20H22ClF2N7O/c1-17-16-28-23(29-21(22(26)31)15-18-6-3-2-4-7-18)24(32)30(17)13-12-27-11-10-19-8-5-9-20(25)14-19;1-16-14-27-22(28-20(21(25)30)13-17-6-3-2-4-7-17)23(31)29(16)11-10-26-15-18-8-5-9-19(24)12-18;1-15-13-27-22(29-19(21(25)31)12-17-6-4-3-5-7-17)23(32)30(15)11-10-26-14-18-8-9-20(24)28-16(18)2;1-17-16-28-21(27-12-11-26-20-7-2-3-9-25-20)22(30)29(17)14-13-24-10-8-18-5-4-6-19(23)15-18;1-16-14-26-21(25-11-10-18-6-4-3-5-7-18)22(29)28(16)13-12-24-15-19-8-9-20(23)27-17(19)2;22-16-5-3-4-15(12-16)7-9-26-10-11-30-18(23)13-28-19(20(30)31)29-14-21(24,25)17-6-1-2-8-27-17;1-16-14-27-20(26-10-9-25-19-7-2-3-8-24-19)21(29)28(16)12-11-23-15-17-5-4-6-18(22)13-17;1-15-13-27-20(26-10-9-25-19-5-3-4-8-24-19)21(30)29(15)12-11-23-14-17-6-7-18(22)28-16(17)2;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/h2-9,14,16,21,27H,10-13,15H2,1H3,(H2,26,31)(H,28,29);2-9,12,14,20,26H,10-11,13,15H2,1H3,(H2,25,30)(H,27,28);3-9,13,19,26H,10-12,14H2,1-2H3,(H2,24,28)(H2,25,31)(H,27,29);2-7,9,15-16,24H,8,10-14H2,1H3,(H,25,26)(H,27,28);3-9,14,24H,10-13,15H2,1-2H3,(H2,23,27)(H,25,26);1-6,8,12-13,26H,7,9-11,14H2,(H,28,29);2-8,13-14,23H,9-12,15H2,1H3,(H,24,25)(H,26,27);3-8,13,23H,9-12,14H2,1-2H3,(H2,22,28)(H,24,25)(H,26,27);2-7,11,25H,8-10,12H2,1H3,(H2,24,29)(H,27,28).
What are the key properties of 1-[2-[(6-amino-2-methyl-3-pyridinyl)methylamino]ethyl]-6-chloro-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]pyrazin-2-one;2-[[4-[2-[(6-amino-2-methyl-3-pyridinyl)methylamino]ethyl]-5-methyl-3-oxopyrazin-2-yl]amino]-3-phenylpropanamide;1-[2-[(6-amino-2-methyl-3-pyridinyl)methylamino]ethyl]-6-methyl-3-(2-phenylethylamino)pyrazin-2-one;1-[2-[(6-amino-2-methyl-3-pyridinyl)methylamino]ethyl]-6-methyl-3-[2-(pyridin-2-ylamino)ethylamino]pyrazin-2-one;6-chloro-1-[2-[2-(3-chlorophenyl)ethylamino]ethyl]-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]pyrazin-2-one;2-[[4-[2-[2-(3-chlorophenyl)ethylamino]ethyl]-5-methyl-3-oxopyrazin-2-yl]amino]-3-phenylpropanamide;1-[2-[2-(3-chlorophenyl)ethylamino]ethyl]-6-methyl-3-[2-(pyridin-2-ylamino)ethylamino]pyrazin-2-one;2-[[4-[2-[(3-chlorophenyl)methylamino]ethyl]-5-methyl-3-oxopyrazin-2-yl]amino]-3-phenylpropanamide;1-[2-[(3-chlorophenyl)methylamino]ethyl]-6-methyl-3-[2-(pyridin-2-ylamino)ethylamino]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;2-[[4-[2-[(6-amino-2-methyl-3-pyridinyl)methylamino]ethyl]-5-methyl-3-oxopyrazin-2-yl]amino]-3-phenylpropanamide;1-[2-[(6-amino-2-methyl-3-pyridinyl)methylamino]ethyl]-6-methyl-3-(2-phenylethylamino)pyrazin-2-one;1-[2-[(6-amino-2-methyl-3-pyridinyl)methylamino]ethyl]-6-methyl-3-[2-(pyridin-2-ylamino)ethylamino]pyrazin-2-one;6-chloro-1-[2-[2-(3-chlorophenyl)ethylamino]ethyl]-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]pyrazin-2-one;2-[[4-[2-[2-(3-chlorophenyl)ethylamino]ethyl]-5-methyl-3-oxopyrazin-2-yl]amino]-3-phenylpropanamide;1-[2-[2-(3-chlorophenyl)ethylamino]ethyl]-6-methyl-3-[2-(pyridin-2-ylamino)ethylamino]pyrazin-2-one;2-[[4-[2-[(3-chlorophenyl)methylamino]ethyl]-5-methyl-3-oxopyrazin-2-yl]amino]-3-phenylpropanamide;1-[2-[(3-chlorophenyl)methylamino]ethyl]-6-methyl-3-[2-(pyridin-2-ylamino)ethylamino]pyrazin-2-one has a molecular weight of 3888.57 g/mol, XLogP of 22.44, 90 rotatable bonds, 28 hydrogen bond donors, and 64 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-pyridin-2-ylethyl)amino]pyrazin-2-one;2-[[4-[2-[(6-amino-2-methyl-3-pyridinyl)methylamino]ethyl]-5-methyl-3-oxopyrazin-2-yl]amino]-3-phenylpropanamide;1-[2-[(6-amino-2-methyl-3-pyridinyl)methylamino]ethyl]-6-methyl-3-(2-phenylethylamino)pyrazin-2-one;1-[2-[(6-amino-2-methyl-3-pyridinyl)methylamino]ethyl]-6-methyl-3-[2-(pyridin-2-ylamino)ethylamino]pyrazin-2-one;6-chloro-1-[2-[2-(3-chlorophenyl)ethylamino]ethyl]-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]pyrazin-2-one;2-[[4-[2-[2-(3-chlorophenyl)ethylamino]ethyl]-5-methyl-3-oxopyrazin-2-yl]amino]-3-phenylpropanamide;1-[2-[2-(3-chlorophenyl)ethylamino]ethyl]-6-methyl-3-[2-(pyridin-2-ylamino)ethylamino]pyrazin-2-one;2-[[4-[2-[(3-chlorophenyl)methylamino]ethyl]-5-methyl-3-oxopyrazin-2-yl]amino]-3-phenylpropanamide;1-[2-[(3-chlorophenyl)methylamino]ethyl]-6-methyl-3-[2-(pyridin-2-ylamino)ethylamino]pyrazin-2-one is sourced from PubChem (CID 159146868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).