2-[3-[2-(1,3-benzodioxol-5-yl)ethylamino]-6-methyl-2-oxopyrazin-1-yl]-N-[(1-methylindazol-6-yl)methyl]acetamide;N-(1H-indazol-6-ylmethyl)-2-[6-methyl-2-oxo-3-(2-phenylethylamino)pyrazin-1-yl]acetamide;N-(1H-indol-6-ylmethyl)-2-[6-methyl-2-oxo-3-(2-phenylethylamino)pyrazin-1-yl]acetamide;N-[(3-methyl-1,2-benzoxazol-6-yl)methyl]-2-[6-methyl-2-oxo-3-(2-phenylethylamino)pyrazin-1-yl]acetamide;N-[(3-methyl-2H-indazol-6-yl)methyl]-2-[6-methyl-2-oxo-3-(2-phenylethylamino)pyrazin-1-yl]acetamide;N-[(1-methylindazol-6-yl)methyl]-2-[6-methyl-2-oxo-3-(2-pyridin-2-ylethylamino)pyrazin-1-yl]acetamide;2-[6-methyl-2-oxo-3-(2-phenylethylamino)pyrazin-1-yl]-N-[(3-methyl-2H-pyrazolo[3,4-b]pyridin-6-yl)methyl]acetamide

C166H176N42O17 — CID 159783527

IUPAC2-[3-[2-(1,3-benzodioxol-5-yl)ethylamino]-6-methyl-2-oxopyrazin-1-yl]-N-[(1-methylindazol-6-yl)methyl]acetamide;N-(1H-indazol-6-ylmethyl)-2-[6-methyl-2-oxo-3-(2-phenylethylamino)pyrazin-1-yl]acetamide;N-(1H-indol-6-ylmethyl)-2-[6-methyl-2-oxo-3-(2-phenylethylamino)pyrazin-1-yl]acetamide;N-[(3-methyl-1,2-benzoxazol-6-yl)methyl]-2-[6-methyl-2-oxo-3-(2-phenylethylamino)pyrazin-1-yl]acetamide;N-[(3-methyl-2H-indazol-6-yl)methyl]-2-[6-methyl-2-oxo-3-(2-phenylethylamino)pyrazin-1-yl]acetamide;N-[(1-methylindazol-6-yl)methyl]-2-[6-methyl-2-oxo-3-(2-pyridin-2-ylethylamino)pyrazin-1-yl]acetamide;2-[6-methyl-2-oxo-3-(2-phenylethylamino)pyrazin-1-yl]-N-[(3-methyl-2H-pyrazolo[3,4-b]pyridin-6-yl)methyl]acetamide
SMILESCc1[nH]nc2cc(CNC(=O)Cn3c(C)cnc(NCCc4ccccc4)c3=O)ccc12.Cc1[nH]nc2nc(CNC(=O)Cn3c(C)cnc(NCCc4ccccc4)c3=O)ccc12.Cc1cnc(NCCc2ccc3c(c2)OCO3)c(=O)n1CC(=O)NCc1ccc2cnn(C)c2c1.Cc1cnc(NCCc2ccccc2)c(=O)n1CC(=O)NCc1ccc2cc[nH]c2c1.Cc1cnc(NCCc2ccccc2)c(=O)n1CC(=O)NCc1ccc2cn[nH]c2c1.Cc1cnc(NCCc2ccccn2)c(=O)n1CC(=O)NCc1ccc2cnn(C)c2c1.Cc1noc2cc(CNC(=O)Cn3c(C)cnc(NCCc4ccccc4)c3=O)ccc12
InChIInChI=1S/C25H26N6O4.C24H26N6O2.C24H25N5O3.C24H25N5O2.2C23H25N7O2.C23H24N6O2/c1-16-11-28-24(26-8-7-17-4-6-21-22(10-17)35-15-34-21)25(33)31(16)14-23(32)27-12-18-3-5-19-13-29-30(2)20(19)9-18;1-16-13-27-23(25-11-10-18-6-4-3-5-7-18)24(32)30(16)15-22(31)26-14-19-8-9-20-17(2)28-29-21(20)12-19;1-16-13-27-23(25-11-10-18-6-4-3-5-7-18)24(31)29(16)15-22(30)26-14-19-8-9-20-17(2)28-32-21(20)12-19;1-17-14-28-23(26-11-9-18-5-3-2-4-6-18)24(31)29(17)16-22(30)27-15-19-7-8-20-10-12-25-21(20)13-19;1-16-12-27-22(25-10-8-19-5-3-4-9-24-19)23(32)30(16)15-21(31)26-13-17-6-7-18-14-28-29(2)20(18)11-17;1-15-12-26-22(24-11-10-17-6-4-3-5-7-17)23(32)30(15)14-20(31)25-13-18-8-9-19-16(2)28-29-21(19)27-18;1-16-12-26-22(24-10-9-17-5-3-2-4-6-17)23(31)29(16)15-21(30)25-13-18-7-8-19-14-27-28-20(19)11-18/h3-6,9-11,13H,7-8,12,14-15H2,1-2H3,(H,26,28)(H,27,32);3-9,12-13H,10-11,14-15H2,1-2H3,(H,25,27)(H,26,31)(H,28,29);3-9,12-13H,10-11,14-15H2,1-2H3,(H,25,27)(H,26,30);2-8,10,12-14,25H,9,11,15-16H2,1H3,(H,26,28)(H,27,30);3-7,9,11-12,14H,8,10,13,15H2,1-2H3,(H,25,27)(H,26,31);3-9,12H,10-11,13-14H2,1-2H3,(H,24,26)(H,25,31)(H,27,28,29);2-8,11-12,14H,9-10,13,15H2,1H3,(H,24,26)(H,25,30)(H,27,28)
InChIKeyNHQWBCBKARKNJT-UHFFFAOYSA-N
MW3031.51 g/mol
LogP17.13
Rot. Bonds56

About 2-[3-[2-(1,3-benzodioxol-5-yl)ethylamino]-6-methyl-2-oxopyrazin-1-yl]-N-[(1-methylindazol-6-yl)methyl]acetamide;N-(1H-indazol-6-ylmethyl)-2-[6-methyl-2-oxo-3-(2-phenylethylamino)pyrazin-1-yl]acetamide;N-(1H-indol-6-ylmethyl)-2-[6-methyl-2-oxo-3-(2-phenylethylamino)pyrazin-1-yl]acetamide;N-[(3-methyl-1,2-benzoxazol-6-yl)methyl]-2-[6-methyl-2-oxo-3-(2-phenylethylamino)pyrazin-1-yl]acetamide;N-[(3-methyl-2H-indazol-6-yl)methyl]-2-[6-methyl-2-oxo-3-(2-phenylethylamino)pyrazin-1-yl]acetamide;N-[(1-methylindazol-6-yl)methyl]-2-[6-methyl-2-oxo-3-(2-pyridin-2-ylethylamino)pyrazin-1-yl]acetamide;2-[6-methyl-2-oxo-3-(2-phenylethylamino)pyrazin-1-yl]-N-[(3-methyl-2H-pyrazolo[3,4-b]pyridin-6-yl)methyl]acetamide

2-[3-[2-(1,3-benzodioxol-5-yl)ethylamino]-6-methyl-2-oxopyrazin-1-yl]-N-[(1-methylindazol-6-yl)methyl]acetamide;N-(1H-indazol-6-ylmethyl)-2-[6-methyl-2-oxo-3-(2-phenylethylamino)pyrazin-1-yl]acetamide;N-(1H-indol-6-ylmethyl)-2-[6-methyl-2-oxo-3-(2-phenylethylamino)pyrazin-1-yl]acetamide;N-[(3-methyl-1,2-benzoxazol-6-yl)methyl]-2-[6-methyl-2-oxo-3-(2-phenylethylamino)pyrazin-1-yl]acetamide;N-[(3-methyl-2H-indazol-6-yl)methyl]-2-[6-methyl-2-oxo-3-(2-phenylethylamino)pyrazin-1-yl]acetamide;N-[(1-methylindazol-6-yl)methyl]-2-[6-methyl-2-oxo-3-(2-pyridin-2-ylethylamino)pyrazin-1-yl]acetamide;2-[6-methyl-2-oxo-3-(2-phenylethylamino)pyrazin-1-yl]-N-[(3-methyl-2H-pyrazolo[3,4-b]pyridin-6-yl)methyl]acetamide (PubChem CID 159783527) has the molecular formula C166H176N42O17 and a molecular weight of 3031.51 g/mol. Its IUPAC name is 2-[3-[2-(1,3-benzodioxol-5-yl)ethylamino]-6-methyl-2-oxopyrazin-1-yl]-N-[(1-methylindazol-6-yl)methyl]acetamide;N-(1H-indazol-6-ylmethyl)-2-[6-methyl-2-oxo-3-(2-phenylethylamino)pyrazin-1-yl]acetamide;N-(1H-indol-6-ylmethyl)-2-[6-methyl-2-oxo-3-(2-phenylethylamino)pyrazin-1-yl]acetamide;N-[(3-methyl-1,2-benzoxazol-6-yl)methyl]-2-[6-methyl-2-oxo-3-(2-phenylethylamino)pyrazin-1-yl]acetamide;N-[(3-methyl-2H-indazol-6-yl)methyl]-2-[6-methyl-2-oxo-3-(2-phenylethylamino)pyrazin-1-yl]acetamide;N-[(1-methylindazol-6-yl)methyl]-2-[6-methyl-2-oxo-3-(2-pyridin-2-ylethylamino)pyrazin-1-yl]acetamide;2-[6-methyl-2-oxo-3-(2-phenylethylamino)pyrazin-1-yl]-N-[(3-methyl-2H-pyrazolo[3,4-b]pyridin-6-yl)methyl]acetamide.

Molecular Properties

Compound Name2-[3-[2-(1,3-benzodioxol-5-yl)ethylamino]-6-methyl-2-oxopyrazin-1-yl]-N-[(1-methylindazol-6-yl)methyl]acetamide;N-(1H-indazol-6-ylmethyl)-2-[6-methyl-2-oxo-3-(2-phenylethylamino)pyrazin-1-yl]acetamide;N-(1H-indol-6-ylmethyl)-2-[6-methyl-2-oxo-3-(2-phenylethylamino)pyrazin-1-yl]acetamide;N-[(3-methyl-1,2-benzoxazol-6-yl)methyl]-2-[6-methyl-2-oxo-3-(2-phenylethylamino)pyrazin-1-yl]acetamide;N-[(3-methyl-2H-indazol-6-yl)methyl]-2-[6-methyl-2-oxo-3-(2-phenylethylamino)pyrazin-1-yl]acetamide;N-[(1-methylindazol-6-yl)methyl]-2-[6-methyl-2-oxo-3-(2-pyridin-2-ylethylamino)pyrazin-1-yl]acetamide;2-[6-methyl-2-oxo-3-(2-phenylethylamino)pyrazin-1-yl]-N-[(3-methyl-2H-pyrazolo[3,4-b]pyridin-6-yl)methyl]acetamide
PubChem CID159783527
Molecular FormulaC166H176N42O17
Molecular Weight3031.51 g/mol
Exact Mass3029.42
IUPAC Name2-[3-[2-(1,3-benzodioxol-5-yl)ethylamino]-6-methyl-2-oxopyrazin-1-yl]-N-[(1-methylindazol-6-yl)methyl]acetamide;N-(1H-indazol-6-ylmethyl)-2-[6-methyl-2-oxo-3-(2-phenylethylamino)pyrazin-1-yl]acetamide;N-(1H-indol-6-ylmethyl)-2-[6-methyl-2-oxo-3-(2-phenylethylamino)pyrazin-1-yl]acetamide;N-[(3-methyl-1,2-benzoxazol-6-yl)methyl]-2-[6-methyl-2-oxo-3-(2-phenylethylamino)pyrazin-1-yl]acetamide;N-[(3-methyl-2H-indazol-6-yl)methyl]-2-[6-methyl-2-oxo-3-(2-phenylethylamino)pyrazin-1-yl]acetamide;N-[(1-methylindazol-6-yl)methyl]-2-[6-methyl-2-oxo-3-(2-pyridin-2-ylethylamino)pyrazin-1-yl]acetamide;2-[6-methyl-2-oxo-3-(2-phenylethylamino)pyrazin-1-yl]-N-[(3-methyl-2H-pyrazolo[3,4-b]pyridin-6-yl)methyl]acetamide
SMILESCc1[nH]nc2cc(CNC(=O)Cn3c(C)cnc(NCCc4ccccc4)c3=O)ccc12.Cc1[nH]nc2nc(CNC(=O)Cn3c(C)cnc(NCCc4ccccc4)c3=O)ccc12.Cc1cnc(NCCc2ccc3c(c2)OCO3)c(=O)n1CC(=O)NCc1ccc2cnn(C)c2c1.Cc1cnc(NCCc2ccccc2)c(=O)n1CC(=O)NCc1ccc2cc[nH]c2c1.Cc1cnc(NCCc2ccccc2)c(=O)n1CC(=O)NCc1ccc2cn[nH]c2c1.Cc1cnc(NCCc2ccccn2)c(=O)n1CC(=O)NCc1ccc2cnn(C)c2c1.Cc1noc2cc(CNC(=O)Cn3c(C)cnc(NCCc4ccccc4)c3=O)ccc12
InChIInChI=1S/C25H26N6O4.C24H26N6O2.C24H25N5O3.C24H25N5O2.2C23H25N7O2.C23H24N6O2/c1-16-11-28-24(26-8-7-17-4-6-21-22(10-17)35-15-34-21)25(33)31(16)14-23(32)27-12-18-3-5-19-13-29-30(2)20(19)9-18;1-16-13-27-23(25-11-10-18-6-4-3-5-7-18)24(32)30(16)15-22(31)26-14-19-8-9-20-17(2)28-29-21(20)12-19;1-16-13-27-23(25-11-10-18-6-4-3-5-7-18)24(31)29(16)15-22(30)26-14-19-8-9-20-17(2)28-32-21(20)12-19;1-17-14-28-23(26-11-9-18-5-3-2-4-6-18)24(31)29(17)16-22(30)27-15-19-7-8-20-10-12-25-21(20)13-19;1-16-12-27-22(25-10-8-19-5-3-4-9-24-19)23(32)30(16)15-21(31)26-13-17-6-7-18-14-28-29(2)20(18)11-17;1-15-12-26-22(24-11-10-17-6-4-3-5-7-17)23(32)30(15)14-20(31)25-13-18-8-9-19-16(2)28-29-21(19)27-18;1-16-12-26-22(24-10-9-17-5-3-2-4-6-17)23(31)29(16)15-21(30)25-13-18-7-8-19-14-27-28-20(19)11-18/h3-6,9-11,13H,7-8,12,14-15H2,1-2H3,(H,26,28)(H,27,32);3-9,12-13H,10-11,14-15H2,1-2H3,(H,25,27)(H,26,31)(H,28,29);3-9,12-13H,10-11,14-15H2,1-2H3,(H,25,27)(H,26,30);2-8,10,12-14,25H,9,11,15-16H2,1H3,(H,26,28)(H,27,30);3-7,9,11-12,14H,8,10,13,15H2,1-2H3,(H,25,27)(H,26,31);3-9,12H,10-11,13-14H2,1-2H3,(H,24,26)(H,25,31)(H,27,28,29);2-8,11-12,14H,9-10,13,15H2,1H3,(H,24,26)(H,25,30)(H,27,28)
InChIKeyNHQWBCBKARKNJT-UHFFFAOYSA-N
XLogP17.13
TPSA739.88 Ų
H-Bond Donors18
H-Bond Acceptors48
Rotatable Bonds56
Heavy Atoms225
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003031.51
LogP ≤ 517.13
H-Bond Donors ≤ 518
H-Bond Acceptors ≤ 1048

Analyze 2-[3-[2-(1,3-benzodioxol-5-yl)ethylamino]-6-methyl-2-oxopyrazin-1-yl]-N-[(1-methylindazol-6-yl)methyl]acetamide;N-(1H-indazol-6-ylmethyl)-2-[6-methyl-2-oxo-3-(2-phenylethylamino)pyrazin-1-yl]acetamide;N-(1H-indol-6-ylmethyl)-2-[6-methyl-2-oxo-3-(2-phenylethylamino)pyrazin-1-yl]acetamide;N-[(3-methyl-1,2-benzoxazol-6-yl)methyl]-2-[6-methyl-2-oxo-3-(2-phenylethylamino)pyrazin-1-yl]acetamide;N-[(3-methyl-2H-indazol-6-yl)methyl]-2-[6-methyl-2-oxo-3-(2-phenylethylamino)pyrazin-1-yl]acetamide;N-[(1-methylindazol-6-yl)methyl]-2-[6-methyl-2-oxo-3-(2-pyridin-2-ylethylamino)pyrazin-1-yl]acetamide;2-[6-methyl-2-oxo-3-(2-phenylethylamino)pyrazin-1-yl]-N-[(3-methyl-2H-pyrazolo[3,4-b]pyridin-6-yl)methyl]acetamide with MolForge

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Related Compounds

3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)benzamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-1,5-dimethylpyrazole-3-carboxamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-5-(1,3-dimethylpyrazol-4-yl)-1,2-oxazole-3-carboxamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-5-methyl-1,2-oxazole-3-carboxamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-3-(5-methyltetrazol-1-yl)benzamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-3-(tetrazol-1-yl)benzamide
CID 157126126
(5R)-5-[4-(1,2-benzoxazol-6-yl)phenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[2-(1-methyltetrazol-5-yl)phenyl]phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[2-(2-methyltetrazol-5-yl)phenyl]phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[4-(trifluoromethyl)pyrimidin-2-yl]phenyl]imidazolidine-2,4-dione
CID 158027720
(5R)-5-[4-(1,2-benzoxazol-6-yl)phenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[2-(1-methyltetrazol-5-yl)phenyl]phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[2-(1-methyltetrazol-5-yl)phenyl]phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[2-(2-methyltetrazol-5-yl)phenyl]phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[4-(trifluoromethyl)pyrimidin-2-yl]phenyl]imidazolidine-2,4-dione
CID 160907825
4-[(3-cyclopropyl-1-ethylpyrazol-5-yl)amino]-7-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[1-[3-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]propyl]imidazol-4-yl]methyl]-6-methoxy-9H-pyrimido[4,5-b]indole-2-carboxamide
CID 132025358
4-[(3-cyclopropyl-1-ethylpyrazol-5-yl)amino]-7-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-[1-[3-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]propyl]imidazol-4-yl]ethyl]-6-methoxy-9H-pyrimido[4,5-b]indole-2-carboxamide
CID 132025363
4-[(3-cyclopropyl-1-ethylpyrazol-5-yl)amino]-7-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-[2-[4-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]butyl]-1H-imidazol-5-yl]ethyl]-6-methoxy-9H-pyrimido[4,5-b]indole-2-carboxamide
CID 132025366
4-[(3-cyclopropyl-1-ethylpyrazol-5-yl)amino]-7-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[1-[3-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]propyl]imidazol-4-yl]-6-methoxy-9H-pyrimido[4,5-b]indole-2-carboxamide
CID 132025409
4-[(3-cyclopropyl-1-ethylpyrazol-5-yl)amino]-7-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[3-[4-[[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]methyl]imidazol-1-yl]propyl]-6-methoxy-9H-pyrimido[4,5-b]indole-2-carboxamide
CID 132025412
4-[(3-cyclopropyl-1-ethylpyrazol-5-yl)amino]-7-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[3-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]ethyl]-1H-imidazol-5-yl]propyl]-6-methoxy-9H-pyrimido[4,5-b]indole-2-carboxamide
CID 132025413
4-[(3-cyclopropyl-1-ethylpyrazol-5-yl)amino]-7-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[1-[2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]ethyl]imidazol-4-yl]methyl]-6-methoxy-9H-pyrimido[4,5-b]indole-2-carboxamide
CID 132025519
4-[(3-cyclopropyl-1-ethylpyrazol-5-yl)amino]-7-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-[4-[3-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]propyl]imidazol-1-yl]ethyl]-6-methoxy-9H-pyrimido[4,5-b]indole-2-carboxamide
CID 132025521
4-[(3-cyclopropyl-1-ethylpyrazol-5-yl)amino]-7-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-[2-[3-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]propyl]-1H-imidazol-5-yl]ethyl]-6-methoxy-9H-pyrimido[4,5-b]indole-2-carboxamide
CID 132025523

Frequently Asked Questions

What is the IUPAC name of 2-[3-[2-(1,3-benzodioxol-5-yl)ethylamino]-6-methyl-2-oxopyrazin-1-yl]-N-[(1-methylindazol-6-yl)methyl]acetamide;N-(1H-indazol-6-ylmethyl)-2-[6-methyl-2-oxo-3-(2-phenylethylamino)pyrazin-1-yl]acetamide;N-(1H-indol-6-ylmethyl)-2-[6-methyl-2-oxo-3-(2-phenylethylamino)pyrazin-1-yl]acetamide;N-[(3-methyl-1,2-benzoxazol-6-yl)methyl]-2-[6-methyl-2-oxo-3-(2-phenylethylamino)pyrazin-1-yl]acetamide;N-[(3-methyl-2H-indazol-6-yl)methyl]-2-[6-methyl-2-oxo-3-(2-phenylethylamino)pyrazin-1-yl]acetamide;N-[(1-methylindazol-6-yl)methyl]-2-[6-methyl-2-oxo-3-(2-pyridin-2-ylethylamino)pyrazin-1-yl]acetamide;2-[6-methyl-2-oxo-3-(2-phenylethylamino)pyrazin-1-yl]-N-[(3-methyl-2H-pyrazolo[3,4-b]pyridin-6-yl)methyl]acetamide?
The IUPAC name of 2-[3-[2-(1,3-benzodioxol-5-yl)ethylamino]-6-methyl-2-oxopyrazin-1-yl]-N-[(1-methylindazol-6-yl)methyl]acetamide;N-(1H-indazol-6-ylmethyl)-2-[6-methyl-2-oxo-3-(2-phenylethylamino)pyrazin-1-yl]acetamide;N-(1H-indol-6-ylmethyl)-2-[6-methyl-2-oxo-3-(2-phenylethylamino)pyrazin-1-yl]acetamide;N-[(3-methyl-1,2-benzoxazol-6-yl)methyl]-2-[6-methyl-2-oxo-3-(2-phenylethylamino)pyrazin-1-yl]acetamide;N-[(3-methyl-2H-indazol-6-yl)methyl]-2-[6-methyl-2-oxo-3-(2-phenylethylamino)pyrazin-1-yl]acetamide;N-[(1-methylindazol-6-yl)methyl]-2-[6-methyl-2-oxo-3-(2-pyridin-2-ylethylamino)pyrazin-1-yl]acetamide;2-[6-methyl-2-oxo-3-(2-phenylethylamino)pyrazin-1-yl]-N-[(3-methyl-2H-pyrazolo[3,4-b]pyridin-6-yl)methyl]acetamide (CID 159783527) is 2-[3-[2-(1,3-benzodioxol-5-yl)ethylamino]-6-methyl-2-oxopyrazin-1-yl]-N-[(1-methylindazol-6-yl)methyl]acetamide;N-(1H-indazol-6-ylmethyl)-2-[6-methyl-2-oxo-3-(2-phenylethylamino)pyrazin-1-yl]acetamide;N-(1H-indol-6-ylmethyl)-2-[6-methyl-2-oxo-3-(2-phenylethylamino)pyrazin-1-yl]acetamide;N-[(3-methyl-1,2-benzoxazol-6-yl)methyl]-2-[6-methyl-2-oxo-3-(2-phenylethylamino)pyrazin-1-yl]acetamide;N-[(3-methyl-2H-indazol-6-yl)methyl]-2-[6-methyl-2-oxo-3-(2-phenylethylamino)pyrazin-1-yl]acetamide;N-[(1-methylindazol-6-yl)methyl]-2-[6-methyl-2-oxo-3-(2-pyridin-2-ylethylamino)pyrazin-1-yl]acetamide;2-[6-methyl-2-oxo-3-(2-phenylethylamino)pyrazin-1-yl]-N-[(3-methyl-2H-pyrazolo[3,4-b]pyridin-6-yl)methyl]acetamide.
What is the SMILES notation for 2-[3-[2-(1,3-benzodioxol-5-yl)ethylamino]-6-methyl-2-oxopyrazin-1-yl]-N-[(1-methylindazol-6-yl)methyl]acetamide;N-(1H-indazol-6-ylmethyl)-2-[6-methyl-2-oxo-3-(2-phenylethylamino)pyrazin-1-yl]acetamide;N-(1H-indol-6-ylmethyl)-2-[6-methyl-2-oxo-3-(2-phenylethylamino)pyrazin-1-yl]acetamide;N-[(3-methyl-1,2-benzoxazol-6-yl)methyl]-2-[6-methyl-2-oxo-3-(2-phenylethylamino)pyrazin-1-yl]acetamide;N-[(3-methyl-2H-indazol-6-yl)methyl]-2-[6-methyl-2-oxo-3-(2-phenylethylamino)pyrazin-1-yl]acetamide;N-[(1-methylindazol-6-yl)methyl]-2-[6-methyl-2-oxo-3-(2-pyridin-2-ylethylamino)pyrazin-1-yl]acetamide;2-[6-methyl-2-oxo-3-(2-phenylethylamino)pyrazin-1-yl]-N-[(3-methyl-2H-pyrazolo[3,4-b]pyridin-6-yl)methyl]acetamide?
The canonical SMILES for 2-[3-[2-(1,3-benzodioxol-5-yl)ethylamino]-6-methyl-2-oxopyrazin-1-yl]-N-[(1-methylindazol-6-yl)methyl]acetamide;N-(1H-indazol-6-ylmethyl)-2-[6-methyl-2-oxo-3-(2-phenylethylamino)pyrazin-1-yl]acetamide;N-(1H-indol-6-ylmethyl)-2-[6-methyl-2-oxo-3-(2-phenylethylamino)pyrazin-1-yl]acetamide;N-[(3-methyl-1,2-benzoxazol-6-yl)methyl]-2-[6-methyl-2-oxo-3-(2-phenylethylamino)pyrazin-1-yl]acetamide;N-[(3-methyl-2H-indazol-6-yl)methyl]-2-[6-methyl-2-oxo-3-(2-phenylethylamino)pyrazin-1-yl]acetamide;N-[(1-methylindazol-6-yl)methyl]-2-[6-methyl-2-oxo-3-(2-pyridin-2-ylethylamino)pyrazin-1-yl]acetamide;2-[6-methyl-2-oxo-3-(2-phenylethylamino)pyrazin-1-yl]-N-[(3-methyl-2H-pyrazolo[3,4-b]pyridin-6-yl)methyl]acetamide is Cc1[nH]nc2cc(CNC(=O)Cn3c(C)cnc(NCCc4ccccc4)c3=O)ccc12.Cc1[nH]nc2nc(CNC(=O)Cn3c(C)cnc(NCCc4ccccc4)c3=O)ccc12.Cc1cnc(NCCc2ccc3c(c2)OCO3)c(=O)n1CC(=O)NCc1ccc2cnn(C)c2c1.Cc1cnc(NCCc2ccccc2)c(=O)n1CC(=O)NCc1ccc2cc[nH]c2c1.Cc1cnc(NCCc2ccccc2)c(=O)n1CC(=O)NCc1ccc2cn[nH]c2c1.Cc1cnc(NCCc2ccccn2)c(=O)n1CC(=O)NCc1ccc2cnn(C)c2c1.Cc1noc2cc(CNC(=O)Cn3c(C)cnc(NCCc4ccccc4)c3=O)ccc12.
What is the InChIKey of 2-[3-[2-(1,3-benzodioxol-5-yl)ethylamino]-6-methyl-2-oxopyrazin-1-yl]-N-[(1-methylindazol-6-yl)methyl]acetamide;N-(1H-indazol-6-ylmethyl)-2-[6-methyl-2-oxo-3-(2-phenylethylamino)pyrazin-1-yl]acetamide;N-(1H-indol-6-ylmethyl)-2-[6-methyl-2-oxo-3-(2-phenylethylamino)pyrazin-1-yl]acetamide;N-[(3-methyl-1,2-benzoxazol-6-yl)methyl]-2-[6-methyl-2-oxo-3-(2-phenylethylamino)pyrazin-1-yl]acetamide;N-[(3-methyl-2H-indazol-6-yl)methyl]-2-[6-methyl-2-oxo-3-(2-phenylethylamino)pyrazin-1-yl]acetamide;N-[(1-methylindazol-6-yl)methyl]-2-[6-methyl-2-oxo-3-(2-pyridin-2-ylethylamino)pyrazin-1-yl]acetamide;2-[6-methyl-2-oxo-3-(2-phenylethylamino)pyrazin-1-yl]-N-[(3-methyl-2H-pyrazolo[3,4-b]pyridin-6-yl)methyl]acetamide?
The InChIKey is NHQWBCBKARKNJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N6O4.C24H26N6O2.C24H25N5O3.C24H25N5O2.2C23H25N7O2.C23H24N6O2/c1-16-11-28-24(26-8-7-17-4-6-21-22(10-17)35-15-34-21)25(33)31(16)14-23(32)27-12-18-3-5-19-13-29-30(2)20(19)9-18;1-16-13-27-23(25-11-10-18-6-4-3-5-7-18)24(32)30(16)15-22(31)26-14-19-8-9-20-17(2)28-29-21(20)12-19;1-16-13-27-23(25-11-10-18-6-4-3-5-7-18)24(31)29(16)15-22(30)26-14-19-8-9-20-17(2)28-32-21(20)12-19;1-17-14-28-23(26-11-9-18-5-3-2-4-6-18)24(31)29(17)16-22(30)27-15-19-7-8-20-10-12-25-21(20)13-19;1-16-12-27-22(25-10-8-19-5-3-4-9-24-19)23(32)30(16)15-21(31)26-13-17-6-7-18-14-28-29(2)20(18)11-17;1-15-12-26-22(24-11-10-17-6-4-3-5-7-17)23(32)30(15)14-20(31)25-13-18-8-9-19-16(2)28-29-21(19)27-18;1-16-12-26-22(24-10-9-17-5-3-2-4-6-17)23(31)29(16)15-21(30)25-13-18-7-8-19-14-27-28-20(19)11-18/h3-6,9-11,13H,7-8,12,14-15H2,1-2H3,(H,26,28)(H,27,32);3-9,12-13H,10-11,14-15H2,1-2H3,(H,25,27)(H,26,31)(H,28,29);3-9,12-13H,10-11,14-15H2,1-2H3,(H,25,27)(H,26,30);2-8,10,12-14,25H,9,11,15-16H2,1H3,(H,26,28)(H,27,30);3-7,9,11-12,14H,8,10,13,15H2,1-2H3,(H,25,27)(H,26,31);3-9,12H,10-11,13-14H2,1-2H3,(H,24,26)(H,25,31)(H,27,28,29);2-8,11-12,14H,9-10,13,15H2,1H3,(H,24,26)(H,25,30)(H,27,28).
What are the key properties of 2-[3-[2-(1,3-benzodioxol-5-yl)ethylamino]-6-methyl-2-oxopyrazin-1-yl]-N-[(1-methylindazol-6-yl)methyl]acetamide;N-(1H-indazol-6-ylmethyl)-2-[6-methyl-2-oxo-3-(2-phenylethylamino)pyrazin-1-yl]acetamide;N-(1H-indol-6-ylmethyl)-2-[6-methyl-2-oxo-3-(2-phenylethylamino)pyrazin-1-yl]acetamide;N-[(3-methyl-1,2-benzoxazol-6-yl)methyl]-2-[6-methyl-2-oxo-3-(2-phenylethylamino)pyrazin-1-yl]acetamide;N-[(3-methyl-2H-indazol-6-yl)methyl]-2-[6-methyl-2-oxo-3-(2-phenylethylamino)pyrazin-1-yl]acetamide;N-[(1-methylindazol-6-yl)methyl]-2-[6-methyl-2-oxo-3-(2-pyridin-2-ylethylamino)pyrazin-1-yl]acetamide;2-[6-methyl-2-oxo-3-(2-phenylethylamino)pyrazin-1-yl]-N-[(3-methyl-2H-pyrazolo[3,4-b]pyridin-6-yl)methyl]acetamide?
2-[3-[2-(1,3-benzodioxol-5-yl)ethylamino]-6-methyl-2-oxopyrazin-1-yl]-N-[(1-methylindazol-6-yl)methyl]acetamide;N-(1H-indazol-6-ylmethyl)-2-[6-methyl-2-oxo-3-(2-phenylethylamino)pyrazin-1-yl]acetamide;N-(1H-indol-6-ylmethyl)-2-[6-methyl-2-oxo-3-(2-phenylethylamino)pyrazin-1-yl]acetamide;N-[(3-methyl-1,2-benzoxazol-6-yl)methyl]-2-[6-methyl-2-oxo-3-(2-phenylethylamino)pyrazin-1-yl]acetamide;N-[(3-methyl-2H-indazol-6-yl)methyl]-2-[6-methyl-2-oxo-3-(2-phenylethylamino)pyrazin-1-yl]acetamide;N-[(1-methylindazol-6-yl)methyl]-2-[6-methyl-2-oxo-3-(2-pyridin-2-ylethylamino)pyrazin-1-yl]acetamide;2-[6-methyl-2-oxo-3-(2-phenylethylamino)pyrazin-1-yl]-N-[(3-methyl-2H-pyrazolo[3,4-b]pyridin-6-yl)methyl]acetamide has a molecular weight of 3031.51 g/mol, XLogP of 17.13, 56 rotatable bonds, 18 hydrogen bond donors, and 48 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[2-(1,3-benzodioxol-5-yl)ethylamino]-6-methyl-2-oxopyrazin-1-yl]-N-[(1-methylindazol-6-yl)methyl]acetamide;N-(1H-indazol-6-ylmethyl)-2-[6-methyl-2-oxo-3-(2-phenylethylamino)pyrazin-1-yl]acetamide;N-(1H-indol-6-ylmethyl)-2-[6-methyl-2-oxo-3-(2-phenylethylamino)pyrazin-1-yl]acetamide;N-[(3-methyl-1,2-benzoxazol-6-yl)methyl]-2-[6-methyl-2-oxo-3-(2-phenylethylamino)pyrazin-1-yl]acetamide;N-[(3-methyl-2H-indazol-6-yl)methyl]-2-[6-methyl-2-oxo-3-(2-phenylethylamino)pyrazin-1-yl]acetamide;N-[(1-methylindazol-6-yl)methyl]-2-[6-methyl-2-oxo-3-(2-pyridin-2-ylethylamino)pyrazin-1-yl]acetamide;2-[6-methyl-2-oxo-3-(2-phenylethylamino)pyrazin-1-yl]-N-[(3-methyl-2H-pyrazolo[3,4-b]pyridin-6-yl)methyl]acetamide is sourced from PubChem (CID 159783527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).