2-[3-[2-[bis(cyclopropylmethyl)amino]ethylamino]-6-methyl-2-oxopyrazin-1-yl]-N-[(3-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]acetamide;2-[6-chloro-3-[(2,2-difluoro-2-phenylethyl)amino]-2-oxopyrazin-1-yl]-N-(1H-pyrazolo[3,4-c]pyridin-5-ylmethyl)acetamide;bis(2-[6-chloro-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-oxopyrazin-1-yl]-N-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)acetamide);2-[6-chloro-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-oxopyrazin-1-yl]-N-(7H-pyrrolo[2,3-c]pyridazin-3-ylmethyl)acetamide;2-[6-chloro-2-oxo-3-(2-pyridin-2-ylethylamino)pyrazin-1-yl]-N-[(3-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]acetamide;N-[(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]-2-[6-methyl-2-oxo-3-(2-pyridin-2-ylethylamino)pyrazin-1-yl]acetamide;2-[3-[3-(cyclopropylmethoxy)propylamino]-6-methyl-2-oxopyrazin-1-yl]-N-[(3-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]acetamide;2-[3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-6-methyl-2-oxopyrazin-1-yl]-N-[(3-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]acetamide;2-[3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-6-methyl-2-oxopyrazin-1-yl]-N-(1H-pyrazolo[5,4-b]pyridin-5-ylmethyl)acetamide;2-[3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-6-methyl-2-oxopyrazin-1-yl]-N-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)acetamide;N-[(3-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]-2-[6-methyl-2-oxo-3-(2-pyridin-2-ylethylamino)pyrazin-1-yl]acetamide;2-[3-[2-(6-methoxy-2-pyridinyl)ethylamino]-6-methyl-2-oxopyrazin-1-yl]-N-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)acetamide;2-[6-methyl-2-oxo-3-(2-phenylethylamino)pyrazin-1-yl]-N-(7H-pyrrolo[2,3-c]pyridazin-3-ylmethyl)acetamide

C305H302Cl6F19N99O30 — CID 160739886

IUPAC2-[3-[2-[bis(cyclopropylmethyl)amino]ethylamino]-6-methyl-2-oxopyrazin-1-yl]-N-[(3-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]acetamide;2-[6-chloro-3-[(2,2-difluoro-2-phenylethyl)amino]-2-oxopyrazin-1-yl]-N-(1H-pyrazolo[3,4-c]pyridin-5-ylmethyl)acetamide;bis(2-[6-chloro-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-oxopyrazin-1-yl]-N-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)acetamide);2-[6-chloro-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-oxopyrazin-1-yl]-N-(7H-pyrrolo[2,3-c]pyridazin-3-ylmethyl)acetamide;2-[6-chloro-2-oxo-3-(2-pyridin-2-ylethylamino)pyrazin-1-yl]-N-[(3-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]acetamide;N-[(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]-2-[6-methyl-2-oxo-3-(2-pyridin-2-ylethylamino)pyrazin-1-yl]acetamide;2-[3-[3-(cyclopropylmethoxy)propylamino]-6-methyl-2-oxopyrazin-1-yl]-N-[(3-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]acetamide;2-[3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-6-methyl-2-oxopyrazin-1-yl]-N-[(3-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]acetamide;2-[3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-6-methyl-2-oxopyrazin-1-yl]-N-(1H-pyrazolo[5,4-b]pyridin-5-ylmethyl)acetamide;2-[3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-6-methyl-2-oxopyrazin-1-yl]-N-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)acetamide;N-[(3-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]-2-[6-methyl-2-oxo-3-(2-pyridin-2-ylethylamino)pyrazin-1-yl]acetamide;2-[3-[2-(6-methoxy-2-pyridinyl)ethylamino]-6-methyl-2-oxopyrazin-1-yl]-N-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)acetamide;2-[6-methyl-2-oxo-3-(2-phenylethylamino)pyrazin-1-yl]-N-(7H-pyrrolo[2,3-c]pyridazin-3-ylmethyl)acetamide
SMILESCOc1cccc(CCNc2ncc(C)n(CC(=O)NCc3cnc4[nH]ccc4c3)c2=O)n1.Cc1cnc(NCC(F)(F)c2ccccn2)c(=O)n1CC(=O)NCc1cnc2[nH]cc(F)c2c1.Cc1cnc(NCC(F)(F)c2ccccn2)c(=O)n1CC(=O)NCc1cnc2[nH]ccc2c1.Cc1cnc(NCC(F)(F)c2ccccn2)c(=O)n1CC(=O)NCc1cnc2[nH]ncc2c1.Cc1cnc(NCCCOCC2CC2)c(=O)n1CC(=O)NCc1cnc2[nH]cc(F)c2c1.Cc1cnc(NCCN(CC2CC2)CC2CC2)c(=O)n1CC(=O)NCc1cnc2[nH]cc(F)c2c1.Cc1cnc(NCCc2ccccc2)c(=O)n1CC(=O)NCc1cc2cc[nH]c2nn1.Cc1cnc(NCCc2ccccn2)c(=O)n1CC(=O)NCc1cnc2[nH]cc(Cl)c2c1.Cc1cnc(NCCc2ccccn2)c(=O)n1CC(=O)NCc1cnc2[nH]cc(F)c2c1.O=C(Cn1c(Cl)cnc(NCC(F)(F)c2ccccc2)c1=O)NCc1cc2cn[nH]c2cn1.O=C(Cn1c(Cl)cnc(NCC(F)(F)c2ccccn2)c1=O)NCc1cc2cc[nH]c2nn1.O=C(Cn1c(Cl)cnc(NCC(F)(F)c2ccccn2)c1=O)NCc1cnc2[nH]ccc2c1.O=C(Cn1c(Cl)cnc(NCC(F)(F)c2ccccn2)c1=O)NCc1cnc2[nH]ccc2c1.O=C(Cn1c(Cl)cnc(NCCc2ccccn2)c1=O)NCc1cnc2[nH]cc(F)c2c1
InChIInChI=1S/C25H32FN7O2.C23H25N7O3.C22H22ClN7O2.C22H20F3N7O2.C22H21F2N7O2.C22H22FN7O2.C22H27FN6O3.C22H23N7O2.3C21H18ClF2N7O2.C21H19ClFN7O2.C21H20F2N8O2.C20H17ClF2N8O2/c1-16-9-29-24(27-6-7-32(13-17-2-3-17)14-18-4-5-18)25(35)33(16)15-22(34)28-10-19-8-20-21(26)12-31-23(20)30-11-19;1-15-11-27-22(25-9-7-18-4-3-5-20(29-18)33-2)23(32)30(15)14-19(31)26-12-16-10-17-6-8-24-21(17)28-13-16;1-14-9-27-21(25-7-5-16-4-2-3-6-24-16)22(32)30(14)13-19(31)26-10-15-8-17-18(23)12-29-20(17)28-11-15;1-13-7-28-20(31-12-22(24,25)17-4-2-3-5-26-17)21(34)32(13)11-18(33)27-8-14-6-15-16(23)10-30-19(15)29-9-14;1-14-9-28-20(30-13-22(23,24)17-4-2-3-6-25-17)21(33)31(14)12-18(32)27-10-15-8-16-5-7-26-19(16)29-11-15;1-14-9-27-21(25-7-5-16-4-2-3-6-24-16)22(32)30(14)13-19(31)26-10-15-8-17-18(23)12-29-20(17)28-11-15;1-14-8-26-21(24-5-2-6-32-13-15-3-4-15)22(31)29(14)12-19(30)25-9-16-7-17-18(23)11-28-20(17)27-10-16;1-15-12-26-21(24-9-7-16-5-3-2-4-6-16)22(31)29(15)14-19(30)25-13-18-11-17-8-10-23-20(17)28-27-18;2*22-16-10-29-19(30-12-21(23,24)15-3-1-2-5-25-15)20(33)31(16)11-17(32)27-8-13-7-14-4-6-26-18(14)28-9-13;22-17-10-27-19(28-12-21(23,24)14-4-2-1-3-5-14)20(33)31(17)11-18(32)26-8-15-6-13-7-29-30-16(13)9-25-15;22-17-11-29-20(25-6-4-14-3-1-2-5-24-14)21(32)30(17)12-18(31)26-8-13-7-15-16(23)10-28-19(15)27-9-13;1-13-7-26-19(28-12-21(22,23)16-4-2-3-5-24-16)20(33)31(13)11-17(32)25-8-14-6-15-10-29-30-18(15)27-9-14;21-15-9-27-18(28-11-20(22,23)14-3-1-2-5-24-14)19(33)31(15)10-16(32)26-8-13-7-12-4-6-25-17(12)30-29-13/h8-9,11-12,17-18H,2-7,10,13-15H2,1H3,(H,27,29)(H,28,34)(H,30,31);3-6,8,10-11,13H,7,9,12,14H2,1-2H3,(H,24,28)(H,25,27)(H,26,31);2-4,6,8-9,11-12H,5,7,10,13H2,1H3,(H,25,27)(H,26,31)(H,28,29);2-7,9-10H,8,11-12H2,1H3,(H,27,33)(H,28,31)(H,29,30);2-9,11H,10,12-13H2,1H3,(H,26,29)(H,27,32)(H,28,30);2-4,6,8-9,11-12H,5,7,10,13H2,1H3,(H,25,27)(H,26,31)(H,28,29);7-8,10-11,15H,2-6,9,12-13H2,1H3,(H,24,26)(H,25,30)(H,27,28);2-6,8,10-12H,7,9,13-14H2,1H3,(H,23,28)(H,24,26)(H,25,30);2*1-7,9-10H,8,11-12H2,(H,26,28)(H,27,32)(H,29,30);1-7,9-10H,8,11-12H2,(H,26,32)(H,27,28)(H,29,30);1-3,5,7,9-11H,4,6,8,12H2,(H,25,29)(H,26,31)(H,27,28);2-7,9-10H,8,11-12H2,1H3,(H,25,32)(H,26,28)(H,27,29,30);1-7,9H,8,10-11H2,(H,25,30)(H,26,32)(H,27,28)
InChIKeyRVKXXKPGOVAPRY-UHFFFAOYSA-N
MW6408.11 g/mol
LogP31.50
Rot. Bonds120

About 2-[3-[2-[bis(cyclopropylmethyl)amino]ethylamino]-6-methyl-2-oxopyrazin-1-yl]-N-[(3-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]acetamide;2-[6-chloro-3-[(2,2-difluoro-2-phenylethyl)amino]-2-oxopyrazin-1-yl]-N-(1H-pyrazolo[3,4-c]pyridin-5-ylmethyl)acetamide;bis(2-[6-chloro-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-oxopyrazin-1-yl]-N-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)acetamide);2-[6-chloro-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-oxopyrazin-1-yl]-N-(7H-pyrrolo[2,3-c]pyridazin-3-ylmethyl)acetamide;2-[6-chloro-2-oxo-3-(2-pyridin-2-ylethylamino)pyrazin-1-yl]-N-[(3-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]acetamide;N-[(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]-2-[6-methyl-2-oxo-3-(2-pyridin-2-ylethylamino)pyrazin-1-yl]acetamide;2-[3-[3-(cyclopropylmethoxy)propylamino]-6-methyl-2-oxopyrazin-1-yl]-N-[(3-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]acetamide;2-[3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-6-methyl-2-oxopyrazin-1-yl]-N-[(3-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]acetamide;2-[3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-6-methyl-2-oxopyrazin-1-yl]-N-(1H-pyrazolo[5,4-b]pyridin-5-ylmethyl)acetamide;2-[3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-6-methyl-2-oxopyrazin-1-yl]-N-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)acetamide;N-[(3-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]-2-[6-methyl-2-oxo-3-(2-pyridin-2-ylethylamino)pyrazin-1-yl]acetamide;2-[3-[2-(6-methoxy-2-pyridinyl)ethylamino]-6-methyl-2-oxopyrazin-1-yl]-N-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)acetamide;2-[6-methyl-2-oxo-3-(2-phenylethylamino)pyrazin-1-yl]-N-(7H-pyrrolo[2,3-c]pyridazin-3-ylmethyl)acetamide

2-[3-[2-[bis(cyclopropylmethyl)amino]ethylamino]-6-methyl-2-oxopyrazin-1-yl]-N-[(3-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]acetamide;2-[6-chloro-3-[(2,2-difluoro-2-phenylethyl)amino]-2-oxopyrazin-1-yl]-N-(1H-pyrazolo[3,4-c]pyridin-5-ylmethyl)acetamide;bis(2-[6-chloro-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-oxopyrazin-1-yl]-N-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)acetamide);2-[6-chloro-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-oxopyrazin-1-yl]-N-(7H-pyrrolo[2,3-c]pyridazin-3-ylmethyl)acetamide;2-[6-chloro-2-oxo-3-(2-pyridin-2-ylethylamino)pyrazin-1-yl]-N-[(3-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]acetamide;N-[(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]-2-[6-methyl-2-oxo-3-(2-pyridin-2-ylethylamino)pyrazin-1-yl]acetamide;2-[3-[3-(cyclopropylmethoxy)propylamino]-6-methyl-2-oxopyrazin-1-yl]-N-[(3-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]acetamide;2-[3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-6-methyl-2-oxopyrazin-1-yl]-N-[(3-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]acetamide;2-[3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-6-methyl-2-oxopyrazin-1-yl]-N-(1H-pyrazolo[5,4-b]pyridin-5-ylmethyl)acetamide;2-[3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-6-methyl-2-oxopyrazin-1-yl]-N-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)acetamide;N-[(3-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]-2-[6-methyl-2-oxo-3-(2-pyridin-2-ylethylamino)pyrazin-1-yl]acetamide;2-[3-[2-(6-methoxy-2-pyridinyl)ethylamino]-6-methyl-2-oxopyrazin-1-yl]-N-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)acetamide;2-[6-methyl-2-oxo-3-(2-phenylethylamino)pyrazin-1-yl]-N-(7H-pyrrolo[2,3-c]pyridazin-3-ylmethyl)acetamide (PubChem CID 160739886) has the molecular formula C305H302Cl6F19N99O30 and a molecular weight of 6408.11 g/mol. Its IUPAC name is 2-[3-[2-[bis(cyclopropylmethyl)amino]ethylamino]-6-methyl-2-oxopyrazin-1-yl]-N-[(3-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]acetamide;2-[6-chloro-3-[(2,2-difluoro-2-phenylethyl)amino]-2-oxopyrazin-1-yl]-N-(1H-pyrazolo[3,4-c]pyridin-5-ylmethyl)acetamide;bis(2-[6-chloro-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-oxopyrazin-1-yl]-N-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)acetamide);2-[6-chloro-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-oxopyrazin-1-yl]-N-(7H-pyrrolo[2,3-c]pyridazin-3-ylmethyl)acetamide;2-[6-chloro-2-oxo-3-(2-pyridin-2-ylethylamino)pyrazin-1-yl]-N-[(3-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]acetamide;N-[(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]-2-[6-methyl-2-oxo-3-(2-pyridin-2-ylethylamino)pyrazin-1-yl]acetamide;2-[3-[3-(cyclopropylmethoxy)propylamino]-6-methyl-2-oxopyrazin-1-yl]-N-[(3-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]acetamide;2-[3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-6-methyl-2-oxopyrazin-1-yl]-N-[(3-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]acetamide;2-[3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-6-methyl-2-oxopyrazin-1-yl]-N-(1H-pyrazolo[5,4-b]pyridin-5-ylmethyl)acetamide;2-[3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-6-methyl-2-oxopyrazin-1-yl]-N-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)acetamide;N-[(3-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]-2-[6-methyl-2-oxo-3-(2-pyridin-2-ylethylamino)pyrazin-1-yl]acetamide;2-[3-[2-(6-methoxy-2-pyridinyl)ethylamino]-6-methyl-2-oxopyrazin-1-yl]-N-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)acetamide;2-[6-methyl-2-oxo-3-(2-phenylethylamino)pyrazin-1-yl]-N-(7H-pyrrolo[2,3-c]pyridazin-3-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[3-[2-[bis(cyclopropylmethyl)amino]ethylamino]-6-methyl-2-oxopyrazin-1-yl]-N-[(3-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]acetamide;2-[6-chloro-3-[(2,2-difluoro-2-phenylethyl)amino]-2-oxopyrazin-1-yl]-N-(1H-pyrazolo[3,4-c]pyridin-5-ylmethyl)acetamide;bis(2-[6-chloro-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-oxopyrazin-1-yl]-N-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)acetamide);2-[6-chloro-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-oxopyrazin-1-yl]-N-(7H-pyrrolo[2,3-c]pyridazin-3-ylmethyl)acetamide;2-[6-chloro-2-oxo-3-(2-pyridin-2-ylethylamino)pyrazin-1-yl]-N-[(3-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]acetamide;N-[(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]-2-[6-methyl-2-oxo-3-(2-pyridin-2-ylethylamino)pyrazin-1-yl]acetamide;2-[3-[3-(cyclopropylmethoxy)propylamino]-6-methyl-2-oxopyrazin-1-yl]-N-[(3-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]acetamide;2-[3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-6-methyl-2-oxopyrazin-1-yl]-N-[(3-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]acetamide;2-[3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-6-methyl-2-oxopyrazin-1-yl]-N-(1H-pyrazolo[5,4-b]pyridin-5-ylmethyl)acetamide;2-[3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-6-methyl-2-oxopyrazin-1-yl]-N-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)acetamide;N-[(3-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]-2-[6-methyl-2-oxo-3-(2-pyridin-2-ylethylamino)pyrazin-1-yl]acetamide;2-[3-[2-(6-methoxy-2-pyridinyl)ethylamino]-6-methyl-2-oxopyrazin-1-yl]-N-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)acetamide;2-[6-methyl-2-oxo-3-(2-phenylethylamino)pyrazin-1-yl]-N-(7H-pyrrolo[2,3-c]pyridazin-3-ylmethyl)acetamide
PubChem CID160739886
Molecular FormulaC305H302Cl6F19N99O30
Molecular Weight6408.11 g/mol
Exact Mass6401.30
IUPAC Name2-[3-[2-[bis(cyclopropylmethyl)amino]ethylamino]-6-methyl-2-oxopyrazin-1-yl]-N-[(3-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]acetamide;2-[6-chloro-3-[(2,2-difluoro-2-phenylethyl)amino]-2-oxopyrazin-1-yl]-N-(1H-pyrazolo[3,4-c]pyridin-5-ylmethyl)acetamide;bis(2-[6-chloro-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-oxopyrazin-1-yl]-N-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)acetamide);2-[6-chloro-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-oxopyrazin-1-yl]-N-(7H-pyrrolo[2,3-c]pyridazin-3-ylmethyl)acetamide;2-[6-chloro-2-oxo-3-(2-pyridin-2-ylethylamino)pyrazin-1-yl]-N-[(3-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]acetamide;N-[(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]-2-[6-methyl-2-oxo-3-(2-pyridin-2-ylethylamino)pyrazin-1-yl]acetamide;2-[3-[3-(cyclopropylmethoxy)propylamino]-6-methyl-2-oxopyrazin-1-yl]-N-[(3-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]acetamide;2-[3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-6-methyl-2-oxopyrazin-1-yl]-N-[(3-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]acetamide;2-[3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-6-methyl-2-oxopyrazin-1-yl]-N-(1H-pyrazolo[5,4-b]pyridin-5-ylmethyl)acetamide;2-[3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-6-methyl-2-oxopyrazin-1-yl]-N-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)acetamide;N-[(3-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]-2-[6-methyl-2-oxo-3-(2-pyridin-2-ylethylamino)pyrazin-1-yl]acetamide;2-[3-[2-(6-methoxy-2-pyridinyl)ethylamino]-6-methyl-2-oxopyrazin-1-yl]-N-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)acetamide;2-[6-methyl-2-oxo-3-(2-phenylethylamino)pyrazin-1-yl]-N-(7H-pyrrolo[2,3-c]pyridazin-3-ylmethyl)acetamide
SMILESCOc1cccc(CCNc2ncc(C)n(CC(=O)NCc3cnc4[nH]ccc4c3)c2=O)n1.Cc1cnc(NCC(F)(F)c2ccccn2)c(=O)n1CC(=O)NCc1cnc2[nH]cc(F)c2c1.Cc1cnc(NCC(F)(F)c2ccccn2)c(=O)n1CC(=O)NCc1cnc2[nH]ccc2c1.Cc1cnc(NCC(F)(F)c2ccccn2)c(=O)n1CC(=O)NCc1cnc2[nH]ncc2c1.Cc1cnc(NCCCOCC2CC2)c(=O)n1CC(=O)NCc1cnc2[nH]cc(F)c2c1.Cc1cnc(NCCN(CC2CC2)CC2CC2)c(=O)n1CC(=O)NCc1cnc2[nH]cc(F)c2c1.Cc1cnc(NCCc2ccccc2)c(=O)n1CC(=O)NCc1cc2cc[nH]c2nn1.Cc1cnc(NCCc2ccccn2)c(=O)n1CC(=O)NCc1cnc2[nH]cc(Cl)c2c1.Cc1cnc(NCCc2ccccn2)c(=O)n1CC(=O)NCc1cnc2[nH]cc(F)c2c1.O=C(Cn1c(Cl)cnc(NCC(F)(F)c2ccccc2)c1=O)NCc1cc2cn[nH]c2cn1.O=C(Cn1c(Cl)cnc(NCC(F)(F)c2ccccn2)c1=O)NCc1cc2cc[nH]c2nn1.O=C(Cn1c(Cl)cnc(NCC(F)(F)c2ccccn2)c1=O)NCc1cnc2[nH]ccc2c1.O=C(Cn1c(Cl)cnc(NCC(F)(F)c2ccccn2)c1=O)NCc1cnc2[nH]ccc2c1.O=C(Cn1c(Cl)cnc(NCCc2ccccn2)c1=O)NCc1cnc2[nH]cc(F)c2c1
InChIInChI=1S/C25H32FN7O2.C23H25N7O3.C22H22ClN7O2.C22H20F3N7O2.C22H21F2N7O2.C22H22FN7O2.C22H27FN6O3.C22H23N7O2.3C21H18ClF2N7O2.C21H19ClFN7O2.C21H20F2N8O2.C20H17ClF2N8O2/c1-16-9-29-24(27-6-7-32(13-17-2-3-17)14-18-4-5-18)25(35)33(16)15-22(34)28-10-19-8-20-21(26)12-31-23(20)30-11-19;1-15-11-27-22(25-9-7-18-4-3-5-20(29-18)33-2)23(32)30(15)14-19(31)26-12-16-10-17-6-8-24-21(17)28-13-16;1-14-9-27-21(25-7-5-16-4-2-3-6-24-16)22(32)30(14)13-19(31)26-10-15-8-17-18(23)12-29-20(17)28-11-15;1-13-7-28-20(31-12-22(24,25)17-4-2-3-5-26-17)21(34)32(13)11-18(33)27-8-14-6-15-16(23)10-30-19(15)29-9-14;1-14-9-28-20(30-13-22(23,24)17-4-2-3-6-25-17)21(33)31(14)12-18(32)27-10-15-8-16-5-7-26-19(16)29-11-15;1-14-9-27-21(25-7-5-16-4-2-3-6-24-16)22(32)30(14)13-19(31)26-10-15-8-17-18(23)12-29-20(17)28-11-15;1-14-8-26-21(24-5-2-6-32-13-15-3-4-15)22(31)29(14)12-19(30)25-9-16-7-17-18(23)11-28-20(17)27-10-16;1-15-12-26-21(24-9-7-16-5-3-2-4-6-16)22(31)29(15)14-19(30)25-13-18-11-17-8-10-23-20(17)28-27-18;2*22-16-10-29-19(30-12-21(23,24)15-3-1-2-5-25-15)20(33)31(16)11-17(32)27-8-13-7-14-4-6-26-18(14)28-9-13;22-17-10-27-19(28-12-21(23,24)14-4-2-1-3-5-14)20(33)31(17)11-18(32)26-8-15-6-13-7-29-30-16(13)9-25-15;22-17-11-29-20(25-6-4-14-3-1-2-5-24-14)21(32)30(17)12-18(31)26-8-13-7-15-16(23)10-28-19(15)27-9-13;1-13-7-26-19(28-12-21(22,23)16-4-2-3-5-24-16)20(33)31(13)11-17(32)25-8-14-6-15-10-29-30-18(15)27-9-14;21-15-9-27-18(28-11-20(22,23)14-3-1-2-5-24-14)19(33)31(15)10-16(32)26-8-13-7-12-4-6-25-17(12)30-29-13/h8-9,11-12,17-18H,2-7,10,13-15H2,1H3,(H,27,29)(H,28,34)(H,30,31);3-6,8,10-11,13H,7,9,12,14H2,1-2H3,(H,24,28)(H,25,27)(H,26,31);2-4,6,8-9,11-12H,5,7,10,13H2,1H3,(H,25,27)(H,26,31)(H,28,29);2-7,9-10H,8,11-12H2,1H3,(H,27,33)(H,28,31)(H,29,30);2-9,11H,10,12-13H2,1H3,(H,26,29)(H,27,32)(H,28,30);2-4,6,8-9,11-12H,5,7,10,13H2,1H3,(H,25,27)(H,26,31)(H,28,29);7-8,10-11,15H,2-6,9,12-13H2,1H3,(H,24,26)(H,25,30)(H,27,28);2-6,8,10-12H,7,9,13-14H2,1H3,(H,23,28)(H,24,26)(H,25,30);2*1-7,9-10H,8,11-12H2,(H,26,28)(H,27,32)(H,29,30);1-7,9-10H,8,11-12H2,(H,26,32)(H,27,28)(H,29,30);1-3,5,7,9-11H,4,6,8,12H2,(H,25,29)(H,26,31)(H,27,28);2-7,9-10H,8,11-12H2,1H3,(H,25,32)(H,26,28)(H,27,29,30);1-7,9H,8,10-11H2,(H,25,30)(H,26,32)(H,27,28)
InChIKeyRVKXXKPGOVAPRY-UHFFFAOYSA-N
XLogP31.50
TPSA1667.96 Ų
H-Bond Donors42
H-Bond Acceptors101
Rotatable Bonds120
Heavy Atoms459
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5006408.11
LogP ≤ 531.50
H-Bond Donors ≤ 542
H-Bond Acceptors ≤ 10101

Analyze 2-[3-[2-[bis(cyclopropylmethyl)amino]ethylamino]-6-methyl-2-oxopyrazin-1-yl]-N-[(3-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]acetamide;2-[6-chloro-3-[(2,2-difluoro-2-phenylethyl)amino]-2-oxopyrazin-1-yl]-N-(1H-pyrazolo[3,4-c]pyridin-5-ylmethyl)acetamide;bis(2-[6-chloro-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-oxopyrazin-1-yl]-N-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)acetamide);2-[6-chloro-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-oxopyrazin-1-yl]-N-(7H-pyrrolo[2,3-c]pyridazin-3-ylmethyl)acetamide;2-[6-chloro-2-oxo-3-(2-pyridin-2-ylethylamino)pyrazin-1-yl]-N-[(3-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]acetamide;N-[(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]-2-[6-methyl-2-oxo-3-(2-pyridin-2-ylethylamino)pyrazin-1-yl]acetamide;2-[3-[3-(cyclopropylmethoxy)propylamino]-6-methyl-2-oxopyrazin-1-yl]-N-[(3-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]acetamide;2-[3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-6-methyl-2-oxopyrazin-1-yl]-N-[(3-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]acetamide;2-[3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-6-methyl-2-oxopyrazin-1-yl]-N-(1H-pyrazolo[5,4-b]pyridin-5-ylmethyl)acetamide;2-[3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-6-methyl-2-oxopyrazin-1-yl]-N-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)acetamide;N-[(3-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]-2-[6-methyl-2-oxo-3-(2-pyridin-2-ylethylamino)pyrazin-1-yl]acetamide;2-[3-[2-(6-methoxy-2-pyridinyl)ethylamino]-6-methyl-2-oxopyrazin-1-yl]-N-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)acetamide;2-[6-methyl-2-oxo-3-(2-phenylethylamino)pyrazin-1-yl]-N-(7H-pyrrolo[2,3-c]pyridazin-3-ylmethyl)acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[2-[bis(cyclopropylmethyl)amino]ethylamino]-6-methyl-2-oxopyrazin-1-yl]-N-[(3-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]acetamide;2-[6-chloro-3-[(2,2-difluoro-2-phenylethyl)amino]-2-oxopyrazin-1-yl]-N-(1H-pyrazolo[3,4-c]pyridin-5-ylmethyl)acetamide;bis(2-[6-chloro-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-oxopyrazin-1-yl]-N-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)acetamide);2-[6-chloro-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-oxopyrazin-1-yl]-N-(7H-pyrrolo[2,3-c]pyridazin-3-ylmethyl)acetamide;2-[6-chloro-2-oxo-3-(2-pyridin-2-ylethylamino)pyrazin-1-yl]-N-[(3-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]acetamide;N-[(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]-2-[6-methyl-2-oxo-3-(2-pyridin-2-ylethylamino)pyrazin-1-yl]acetamide;2-[3-[3-(cyclopropylmethoxy)propylamino]-6-methyl-2-oxopyrazin-1-yl]-N-[(3-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]acetamide;2-[3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-6-methyl-2-oxopyrazin-1-yl]-N-[(3-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]acetamide;2-[3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-6-methyl-2-oxopyrazin-1-yl]-N-(1H-pyrazolo[5,4-b]pyridin-5-ylmethyl)acetamide;2-[3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-6-methyl-2-oxopyrazin-1-yl]-N-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)acetamide;N-[(3-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]-2-[6-methyl-2-oxo-3-(2-pyridin-2-ylethylamino)pyrazin-1-yl]acetamide;2-[3-[2-(6-methoxy-2-pyridinyl)ethylamino]-6-methyl-2-oxopyrazin-1-yl]-N-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)acetamide;2-[6-methyl-2-oxo-3-(2-phenylethylamino)pyrazin-1-yl]-N-(7H-pyrrolo[2,3-c]pyridazin-3-ylmethyl)acetamide?
The IUPAC name of 2-[3-[2-[bis(cyclopropylmethyl)amino]ethylamino]-6-methyl-2-oxopyrazin-1-yl]-N-[(3-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]acetamide;2-[6-chloro-3-[(2,2-difluoro-2-phenylethyl)amino]-2-oxopyrazin-1-yl]-N-(1H-pyrazolo[3,4-c]pyridin-5-ylmethyl)acetamide;bis(2-[6-chloro-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-oxopyrazin-1-yl]-N-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)acetamide);2-[6-chloro-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-oxopyrazin-1-yl]-N-(7H-pyrrolo[2,3-c]pyridazin-3-ylmethyl)acetamide;2-[6-chloro-2-oxo-3-(2-pyridin-2-ylethylamino)pyrazin-1-yl]-N-[(3-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]acetamide;N-[(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]-2-[6-methyl-2-oxo-3-(2-pyridin-2-ylethylamino)pyrazin-1-yl]acetamide;2-[3-[3-(cyclopropylmethoxy)propylamino]-6-methyl-2-oxopyrazin-1-yl]-N-[(3-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]acetamide;2-[3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-6-methyl-2-oxopyrazin-1-yl]-N-[(3-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]acetamide;2-[3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-6-methyl-2-oxopyrazin-1-yl]-N-(1H-pyrazolo[5,4-b]pyridin-5-ylmethyl)acetamide;2-[3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-6-methyl-2-oxopyrazin-1-yl]-N-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)acetamide;N-[(3-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]-2-[6-methyl-2-oxo-3-(2-pyridin-2-ylethylamino)pyrazin-1-yl]acetamide;2-[3-[2-(6-methoxy-2-pyridinyl)ethylamino]-6-methyl-2-oxopyrazin-1-yl]-N-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)acetamide;2-[6-methyl-2-oxo-3-(2-phenylethylamino)pyrazin-1-yl]-N-(7H-pyrrolo[2,3-c]pyridazin-3-ylmethyl)acetamide (CID 160739886) is 2-[3-[2-[bis(cyclopropylmethyl)amino]ethylamino]-6-methyl-2-oxopyrazin-1-yl]-N-[(3-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]acetamide;2-[6-chloro-3-[(2,2-difluoro-2-phenylethyl)amino]-2-oxopyrazin-1-yl]-N-(1H-pyrazolo[3,4-c]pyridin-5-ylmethyl)acetamide;bis(2-[6-chloro-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-oxopyrazin-1-yl]-N-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)acetamide);2-[6-chloro-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-oxopyrazin-1-yl]-N-(7H-pyrrolo[2,3-c]pyridazin-3-ylmethyl)acetamide;2-[6-chloro-2-oxo-3-(2-pyridin-2-ylethylamino)pyrazin-1-yl]-N-[(3-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]acetamide;N-[(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]-2-[6-methyl-2-oxo-3-(2-pyridin-2-ylethylamino)pyrazin-1-yl]acetamide;2-[3-[3-(cyclopropylmethoxy)propylamino]-6-methyl-2-oxopyrazin-1-yl]-N-[(3-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]acetamide;2-[3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-6-methyl-2-oxopyrazin-1-yl]-N-[(3-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]acetamide;2-[3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-6-methyl-2-oxopyrazin-1-yl]-N-(1H-pyrazolo[5,4-b]pyridin-5-ylmethyl)acetamide;2-[3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-6-methyl-2-oxopyrazin-1-yl]-N-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)acetamide;N-[(3-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]-2-[6-methyl-2-oxo-3-(2-pyridin-2-ylethylamino)pyrazin-1-yl]acetamide;2-[3-[2-(6-methoxy-2-pyridinyl)ethylamino]-6-methyl-2-oxopyrazin-1-yl]-N-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)acetamide;2-[6-methyl-2-oxo-3-(2-phenylethylamino)pyrazin-1-yl]-N-(7H-pyrrolo[2,3-c]pyridazin-3-ylmethyl)acetamide.
What is the SMILES notation for 2-[3-[2-[bis(cyclopropylmethyl)amino]ethylamino]-6-methyl-2-oxopyrazin-1-yl]-N-[(3-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]acetamide;2-[6-chloro-3-[(2,2-difluoro-2-phenylethyl)amino]-2-oxopyrazin-1-yl]-N-(1H-pyrazolo[3,4-c]pyridin-5-ylmethyl)acetamide;bis(2-[6-chloro-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-oxopyrazin-1-yl]-N-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)acetamide);2-[6-chloro-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-oxopyrazin-1-yl]-N-(7H-pyrrolo[2,3-c]pyridazin-3-ylmethyl)acetamide;2-[6-chloro-2-oxo-3-(2-pyridin-2-ylethylamino)pyrazin-1-yl]-N-[(3-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]acetamide;N-[(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]-2-[6-methyl-2-oxo-3-(2-pyridin-2-ylethylamino)pyrazin-1-yl]acetamide;2-[3-[3-(cyclopropylmethoxy)propylamino]-6-methyl-2-oxopyrazin-1-yl]-N-[(3-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]acetamide;2-[3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-6-methyl-2-oxopyrazin-1-yl]-N-[(3-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]acetamide;2-[3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-6-methyl-2-oxopyrazin-1-yl]-N-(1H-pyrazolo[5,4-b]pyridin-5-ylmethyl)acetamide;2-[3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-6-methyl-2-oxopyrazin-1-yl]-N-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)acetamide;N-[(3-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]-2-[6-methyl-2-oxo-3-(2-pyridin-2-ylethylamino)pyrazin-1-yl]acetamide;2-[3-[2-(6-methoxy-2-pyridinyl)ethylamino]-6-methyl-2-oxopyrazin-1-yl]-N-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)acetamide;2-[6-methyl-2-oxo-3-(2-phenylethylamino)pyrazin-1-yl]-N-(7H-pyrrolo[2,3-c]pyridazin-3-ylmethyl)acetamide?
The canonical SMILES for 2-[3-[2-[bis(cyclopropylmethyl)amino]ethylamino]-6-methyl-2-oxopyrazin-1-yl]-N-[(3-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]acetamide;2-[6-chloro-3-[(2,2-difluoro-2-phenylethyl)amino]-2-oxopyrazin-1-yl]-N-(1H-pyrazolo[3,4-c]pyridin-5-ylmethyl)acetamide;bis(2-[6-chloro-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-oxopyrazin-1-yl]-N-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)acetamide);2-[6-chloro-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-oxopyrazin-1-yl]-N-(7H-pyrrolo[2,3-c]pyridazin-3-ylmethyl)acetamide;2-[6-chloro-2-oxo-3-(2-pyridin-2-ylethylamino)pyrazin-1-yl]-N-[(3-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]acetamide;N-[(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]-2-[6-methyl-2-oxo-3-(2-pyridin-2-ylethylamino)pyrazin-1-yl]acetamide;2-[3-[3-(cyclopropylmethoxy)propylamino]-6-methyl-2-oxopyrazin-1-yl]-N-[(3-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]acetamide;2-[3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-6-methyl-2-oxopyrazin-1-yl]-N-[(3-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]acetamide;2-[3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-6-methyl-2-oxopyrazin-1-yl]-N-(1H-pyrazolo[5,4-b]pyridin-5-ylmethyl)acetamide;2-[3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-6-methyl-2-oxopyrazin-1-yl]-N-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)acetamide;N-[(3-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]-2-[6-methyl-2-oxo-3-(2-pyridin-2-ylethylamino)pyrazin-1-yl]acetamide;2-[3-[2-(6-methoxy-2-pyridinyl)ethylamino]-6-methyl-2-oxopyrazin-1-yl]-N-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)acetamide;2-[6-methyl-2-oxo-3-(2-phenylethylamino)pyrazin-1-yl]-N-(7H-pyrrolo[2,3-c]pyridazin-3-ylmethyl)acetamide is COc1cccc(CCNc2ncc(C)n(CC(=O)NCc3cnc4[nH]ccc4c3)c2=O)n1.Cc1cnc(NCC(F)(F)c2ccccn2)c(=O)n1CC(=O)NCc1cnc2[nH]cc(F)c2c1.Cc1cnc(NCC(F)(F)c2ccccn2)c(=O)n1CC(=O)NCc1cnc2[nH]ccc2c1.Cc1cnc(NCC(F)(F)c2ccccn2)c(=O)n1CC(=O)NCc1cnc2[nH]ncc2c1.Cc1cnc(NCCCOCC2CC2)c(=O)n1CC(=O)NCc1cnc2[nH]cc(F)c2c1.Cc1cnc(NCCN(CC2CC2)CC2CC2)c(=O)n1CC(=O)NCc1cnc2[nH]cc(F)c2c1.Cc1cnc(NCCc2ccccc2)c(=O)n1CC(=O)NCc1cc2cc[nH]c2nn1.Cc1cnc(NCCc2ccccn2)c(=O)n1CC(=O)NCc1cnc2[nH]cc(Cl)c2c1.Cc1cnc(NCCc2ccccn2)c(=O)n1CC(=O)NCc1cnc2[nH]cc(F)c2c1.O=C(Cn1c(Cl)cnc(NCC(F)(F)c2ccccc2)c1=O)NCc1cc2cn[nH]c2cn1.O=C(Cn1c(Cl)cnc(NCC(F)(F)c2ccccn2)c1=O)NCc1cc2cc[nH]c2nn1.O=C(Cn1c(Cl)cnc(NCC(F)(F)c2ccccn2)c1=O)NCc1cnc2[nH]ccc2c1.O=C(Cn1c(Cl)cnc(NCC(F)(F)c2ccccn2)c1=O)NCc1cnc2[nH]ccc2c1.O=C(Cn1c(Cl)cnc(NCCc2ccccn2)c1=O)NCc1cnc2[nH]cc(F)c2c1.
What is the InChIKey of 2-[3-[2-[bis(cyclopropylmethyl)amino]ethylamino]-6-methyl-2-oxopyrazin-1-yl]-N-[(3-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]acetamide;2-[6-chloro-3-[(2,2-difluoro-2-phenylethyl)amino]-2-oxopyrazin-1-yl]-N-(1H-pyrazolo[3,4-c]pyridin-5-ylmethyl)acetamide;bis(2-[6-chloro-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-oxopyrazin-1-yl]-N-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)acetamide);2-[6-chloro-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-oxopyrazin-1-yl]-N-(7H-pyrrolo[2,3-c]pyridazin-3-ylmethyl)acetamide;2-[6-chloro-2-oxo-3-(2-pyridin-2-ylethylamino)pyrazin-1-yl]-N-[(3-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]acetamide;N-[(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]-2-[6-methyl-2-oxo-3-(2-pyridin-2-ylethylamino)pyrazin-1-yl]acetamide;2-[3-[3-(cyclopropylmethoxy)propylamino]-6-methyl-2-oxopyrazin-1-yl]-N-[(3-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]acetamide;2-[3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-6-methyl-2-oxopyrazin-1-yl]-N-[(3-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]acetamide;2-[3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-6-methyl-2-oxopyrazin-1-yl]-N-(1H-pyrazolo[5,4-b]pyridin-5-ylmethyl)acetamide;2-[3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-6-methyl-2-oxopyrazin-1-yl]-N-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)acetamide;N-[(3-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]-2-[6-methyl-2-oxo-3-(2-pyridin-2-ylethylamino)pyrazin-1-yl]acetamide;2-[3-[2-(6-methoxy-2-pyridinyl)ethylamino]-6-methyl-2-oxopyrazin-1-yl]-N-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)acetamide;2-[6-methyl-2-oxo-3-(2-phenylethylamino)pyrazin-1-yl]-N-(7H-pyrrolo[2,3-c]pyridazin-3-ylmethyl)acetamide?
The InChIKey is RVKXXKPGOVAPRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32FN7O2.C23H25N7O3.C22H22ClN7O2.C22H20F3N7O2.C22H21F2N7O2.C22H22FN7O2.C22H27FN6O3.C22H23N7O2.3C21H18ClF2N7O2.C21H19ClFN7O2.C21H20F2N8O2.C20H17ClF2N8O2/c1-16-9-29-24(27-6-7-32(13-17-2-3-17)14-18-4-5-18)25(35)33(16)15-22(34)28-10-19-8-20-21(26)12-31-23(20)30-11-19;1-15-11-27-22(25-9-7-18-4-3-5-20(29-18)33-2)23(32)30(15)14-19(31)26-12-16-10-17-6-8-24-21(17)28-13-16;1-14-9-27-21(25-7-5-16-4-2-3-6-24-16)22(32)30(14)13-19(31)26-10-15-8-17-18(23)12-29-20(17)28-11-15;1-13-7-28-20(31-12-22(24,25)17-4-2-3-5-26-17)21(34)32(13)11-18(33)27-8-14-6-15-16(23)10-30-19(15)29-9-14;1-14-9-28-20(30-13-22(23,24)17-4-2-3-6-25-17)21(33)31(14)12-18(32)27-10-15-8-16-5-7-26-19(16)29-11-15;1-14-9-27-21(25-7-5-16-4-2-3-6-24-16)22(32)30(14)13-19(31)26-10-15-8-17-18(23)12-29-20(17)28-11-15;1-14-8-26-21(24-5-2-6-32-13-15-3-4-15)22(31)29(14)12-19(30)25-9-16-7-17-18(23)11-28-20(17)27-10-16;1-15-12-26-21(24-9-7-16-5-3-2-4-6-16)22(31)29(15)14-19(30)25-13-18-11-17-8-10-23-20(17)28-27-18;2*22-16-10-29-19(30-12-21(23,24)15-3-1-2-5-25-15)20(33)31(16)11-17(32)27-8-13-7-14-4-6-26-18(14)28-9-13;22-17-10-27-19(28-12-21(23,24)14-4-2-1-3-5-14)20(33)31(17)11-18(32)26-8-15-6-13-7-29-30-16(13)9-25-15;22-17-11-29-20(25-6-4-14-3-1-2-5-24-14)21(32)30(17)12-18(31)26-8-13-7-15-16(23)10-28-19(15)27-9-13;1-13-7-26-19(28-12-21(22,23)16-4-2-3-5-24-16)20(33)31(13)11-17(32)25-8-14-6-15-10-29-30-18(15)27-9-14;21-15-9-27-18(28-11-20(22,23)14-3-1-2-5-24-14)19(33)31(15)10-16(32)26-8-13-7-12-4-6-25-17(12)30-29-13/h8-9,11-12,17-18H,2-7,10,13-15H2,1H3,(H,27,29)(H,28,34)(H,30,31);3-6,8,10-11,13H,7,9,12,14H2,1-2H3,(H,24,28)(H,25,27)(H,26,31);2-4,6,8-9,11-12H,5,7,10,13H2,1H3,(H,25,27)(H,26,31)(H,28,29);2-7,9-10H,8,11-12H2,1H3,(H,27,33)(H,28,31)(H,29,30);2-9,11H,10,12-13H2,1H3,(H,26,29)(H,27,32)(H,28,30);2-4,6,8-9,11-12H,5,7,10,13H2,1H3,(H,25,27)(H,26,31)(H,28,29);7-8,10-11,15H,2-6,9,12-13H2,1H3,(H,24,26)(H,25,30)(H,27,28);2-6,8,10-12H,7,9,13-14H2,1H3,(H,23,28)(H,24,26)(H,25,30);2*1-7,9-10H,8,11-12H2,(H,26,28)(H,27,32)(H,29,30);1-7,9-10H,8,11-12H2,(H,26,32)(H,27,28)(H,29,30);1-3,5,7,9-11H,4,6,8,12H2,(H,25,29)(H,26,31)(H,27,28);2-7,9-10H,8,11-12H2,1H3,(H,25,32)(H,26,28)(H,27,29,30);1-7,9H,8,10-11H2,(H,25,30)(H,26,32)(H,27,28).
What are the key properties of 2-[3-[2-[bis(cyclopropylmethyl)amino]ethylamino]-6-methyl-2-oxopyrazin-1-yl]-N-[(3-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]acetamide;2-[6-chloro-3-[(2,2-difluoro-2-phenylethyl)amino]-2-oxopyrazin-1-yl]-N-(1H-pyrazolo[3,4-c]pyridin-5-ylmethyl)acetamide;bis(2-[6-chloro-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-oxopyrazin-1-yl]-N-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)acetamide);2-[6-chloro-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-oxopyrazin-1-yl]-N-(7H-pyrrolo[2,3-c]pyridazin-3-ylmethyl)acetamide;2-[6-chloro-2-oxo-3-(2-pyridin-2-ylethylamino)pyrazin-1-yl]-N-[(3-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]acetamide;N-[(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]-2-[6-methyl-2-oxo-3-(2-pyridin-2-ylethylamino)pyrazin-1-yl]acetamide;2-[3-[3-(cyclopropylmethoxy)propylamino]-6-methyl-2-oxopyrazin-1-yl]-N-[(3-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]acetamide;2-[3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-6-methyl-2-oxopyrazin-1-yl]-N-[(3-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]acetamide;2-[3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-6-methyl-2-oxopyrazin-1-yl]-N-(1H-pyrazolo[5,4-b]pyridin-5-ylmethyl)acetamide;2-[3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-6-methyl-2-oxopyrazin-1-yl]-N-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)acetamide;N-[(3-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]-2-[6-methyl-2-oxo-3-(2-pyridin-2-ylethylamino)pyrazin-1-yl]acetamide;2-[3-[2-(6-methoxy-2-pyridinyl)ethylamino]-6-methyl-2-oxopyrazin-1-yl]-N-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)acetamide;2-[6-methyl-2-oxo-3-(2-phenylethylamino)pyrazin-1-yl]-N-(7H-pyrrolo[2,3-c]pyridazin-3-ylmethyl)acetamide?
2-[3-[2-[bis(cyclopropylmethyl)amino]ethylamino]-6-methyl-2-oxopyrazin-1-yl]-N-[(3-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]acetamide;2-[6-chloro-3-[(2,2-difluoro-2-phenylethyl)amino]-2-oxopyrazin-1-yl]-N-(1H-pyrazolo[3,4-c]pyridin-5-ylmethyl)acetamide;bis(2-[6-chloro-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-oxopyrazin-1-yl]-N-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)acetamide);2-[6-chloro-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-oxopyrazin-1-yl]-N-(7H-pyrrolo[2,3-c]pyridazin-3-ylmethyl)acetamide;2-[6-chloro-2-oxo-3-(2-pyridin-2-ylethylamino)pyrazin-1-yl]-N-[(3-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]acetamide;N-[(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]-2-[6-methyl-2-oxo-3-(2-pyridin-2-ylethylamino)pyrazin-1-yl]acetamide;2-[3-[3-(cyclopropylmethoxy)propylamino]-6-methyl-2-oxopyrazin-1-yl]-N-[(3-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]acetamide;2-[3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-6-methyl-2-oxopyrazin-1-yl]-N-[(3-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]acetamide;2-[3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-6-methyl-2-oxopyrazin-1-yl]-N-(1H-pyrazolo[5,4-b]pyridin-5-ylmethyl)acetamide;2-[3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-6-methyl-2-oxopyrazin-1-yl]-N-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)acetamide;N-[(3-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]-2-[6-methyl-2-oxo-3-(2-pyridin-2-ylethylamino)pyrazin-1-yl]acetamide;2-[3-[2-(6-methoxy-2-pyridinyl)ethylamino]-6-methyl-2-oxopyrazin-1-yl]-N-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)acetamide;2-[6-methyl-2-oxo-3-(2-phenylethylamino)pyrazin-1-yl]-N-(7H-pyrrolo[2,3-c]pyridazin-3-ylmethyl)acetamide has a molecular weight of 6408.11 g/mol, XLogP of 31.50, 120 rotatable bonds, 42 hydrogen bond donors, and 101 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[2-[bis(cyclopropylmethyl)amino]ethylamino]-6-methyl-2-oxopyrazin-1-yl]-N-[(3-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]acetamide;2-[6-chloro-3-[(2,2-difluoro-2-phenylethyl)amino]-2-oxopyrazin-1-yl]-N-(1H-pyrazolo[3,4-c]pyridin-5-ylmethyl)acetamide;bis(2-[6-chloro-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-oxopyrazin-1-yl]-N-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)acetamide);2-[6-chloro-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-oxopyrazin-1-yl]-N-(7H-pyrrolo[2,3-c]pyridazin-3-ylmethyl)acetamide;2-[6-chloro-2-oxo-3-(2-pyridin-2-ylethylamino)pyrazin-1-yl]-N-[(3-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]acetamide;N-[(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]-2-[6-methyl-2-oxo-3-(2-pyridin-2-ylethylamino)pyrazin-1-yl]acetamide;2-[3-[3-(cyclopropylmethoxy)propylamino]-6-methyl-2-oxopyrazin-1-yl]-N-[(3-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]acetamide;2-[3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-6-methyl-2-oxopyrazin-1-yl]-N-[(3-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]acetamide;2-[3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-6-methyl-2-oxopyrazin-1-yl]-N-(1H-pyrazolo[5,4-b]pyridin-5-ylmethyl)acetamide;2-[3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-6-methyl-2-oxopyrazin-1-yl]-N-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)acetamide;N-[(3-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]-2-[6-methyl-2-oxo-3-(2-pyridin-2-ylethylamino)pyrazin-1-yl]acetamide;2-[3-[2-(6-methoxy-2-pyridinyl)ethylamino]-6-methyl-2-oxopyrazin-1-yl]-N-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)acetamide;2-[6-methyl-2-oxo-3-(2-phenylethylamino)pyrazin-1-yl]-N-(7H-pyrrolo[2,3-c]pyridazin-3-ylmethyl)acetamide is sourced from PubChem (CID 160739886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).