2-[3-[2-(7,7a-dihydro-1H-pyrrolo[2,3-b]pyridin-6-yl)ethylamino]-6-methyl-2-oxopyrazin-1-yl]-N-[(3-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]acetamide;2-[3-[2-[bis(cyclopropylmethyl)amino]ethylamino]-6-chloro-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-pyridin-2-ylethyl)amino]-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-pyridin-3-ylethyl)amino]-2-oxopyrazin-1-yl]-N-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)acetamide;2-[3-[3-(cyclobutylamino)propylamino]-6-methyl-2-oxopyrazin-1-yl]-N-[(3-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]acetamide;2-[3-[2-[2-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethylamino]-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-(3-methoxyphenyl)ethyl]amino]-6-methyl-2-oxopyrazin-1-yl]-N-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)acetamide;2-[3-(2,2-diphenylethylamino)-6-methyl-2-oxopyrazin-1-yl]-N-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)acetamide;2-[2-[2-[[4-[2-[(3-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)methylamino]-2-oxoethyl]-5-methyl-3-oxopyrazin-2-yl]amino]ethyl]phenoxy]acetic acid;N-[(3-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]-2-[3-[2-(6-methoxy-2-pyridinyl)ethylamino]-6-methyl-2-oxopyrazin-1-yl]acetamide;N-[(3-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]-2-[6-methyl-2-oxo-3-[2-(pentan-3-ylamino)ethylamino]pyrazin-1-yl]acetamide;2-[6-methyl-2-oxo-3-[(2-phenyl-2-pyridin-2-ylethyl)amino]pyrazin-1-yl]-N-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)acetamide

C291H305Cl3F14N82O31 — CID 161426992

IUPAC2-[3-[2-(7,7a-dihydro-1H-pyrrolo[2,3-b]pyridin-6-yl)ethylamino]-6-methyl-2-oxopyrazin-1-yl]-N-[(3-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]acetamide;2-[3-[2-[bis(cyclopropylmethyl)amino]ethylamino]-6-chloro-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-pyridin-2-ylethyl)amino]-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-pyridin-3-ylethyl)amino]-2-oxopyrazin-1-yl]-N-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)acetamide;2-[3-[3-(cyclobutylamino)propylamino]-6-methyl-2-oxopyrazin-1-yl]-N-[(3-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]acetamide;2-[3-[2-[2-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethylamino]-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-(3-methoxyphenyl)ethyl]amino]-6-methyl-2-oxopyrazin-1-yl]-N-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)acetamide;2-[3-(2,2-diphenylethylamino)-6-methyl-2-oxopyrazin-1-yl]-N-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)acetamide;2-[2-[2-[[4-[2-[(3-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)methylamino]-2-oxoethyl]-5-methyl-3-oxopyrazin-2-yl]amino]ethyl]phenoxy]acetic acid;N-[(3-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]-2-[3-[2-(6-methoxy-2-pyridinyl)ethylamino]-6-methyl-2-oxopyrazin-1-yl]acetamide;N-[(3-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]-2-[6-methyl-2-oxo-3-[2-(pentan-3-ylamino)ethylamino]pyrazin-1-yl]acetamide;2-[6-methyl-2-oxo-3-[(2-phenyl-2-pyridin-2-ylethyl)amino]pyrazin-1-yl]-N-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)acetamide
SMILESCCC(CC)NCCNc1ncc(C)n(CC(=O)NCc2cnc3[nH]cc(F)c3c2)c1=O.COc1cccc(C(F)(F)CNc2ncc(C)n(CC(=O)NCc3cnc4[nH]ccc4c3)c2=O)c1.COc1cccc(CCNc2ncc(C)n(CC(=O)NCc3cnc4[nH]cc(F)c4c3)c2=O)n1.Cc1cnc(NCC(c2ccccc2)c2ccccc2)c(=O)n1CC(=O)NCc1cnc2[nH]ccc2c1.Cc1cnc(NCC(c2ccccc2)c2ccccn2)c(=O)n1CC(=O)NCc1cnc2[nH]ccc2c1.Cc1cnc(NCCC2=CC=C3C=CNC3N2)c(=O)n1CC(=O)NCc1cnc2[nH]cc(F)c2c1.Cc1cnc(NCCCNC2CCC2)c(=O)n1CC(=O)NCc1cnc2[nH]cc(F)c2c1.Cc1cnc(NCCc2ccccc2OCC(=O)NC2CC2)c(=O)n1CC(=O)NCc1cnc2[nH]cc(F)c2c1.Cc1cnc(NCCc2ccccc2OCC(=O)O)c(=O)n1CC(=O)NCc1cnc2[nH]cc(F)c2c1.O=C(Cn1c(Cl)cnc(NCC(F)(F)c2ccccn2)c1=O)NCc1cnc2[nH]cc(F)c2c1.O=C(Cn1c(Cl)cnc(NCC(F)(F)c2cccnc2)c1=O)NCc1cnc2[nH]ccc2c1.O=C(Cn1c(Cl)cnc(NCCN(CC2CC2)CC2CC2)c1=O)NCc1cnc2[nH]cc(F)c2c1
InChIInChI=1S/C29H28N6O2.C28H30FN7O4.C28H27N7O2.C25H25FN6O5.C24H29ClFN7O2.C24H24F2N6O3.C24H25FN8O2.C23H24FN7O3.C22H28FN7O2.C22H30FN7O2.C21H17ClF3N7O2.C21H18ClF2N7O2/c1-20-15-32-28(34-18-25(22-8-4-2-5-9-22)23-10-6-3-7-11-23)29(37)35(20)19-26(36)31-16-21-14-24-12-13-30-27(24)33-17-21;1-17-11-32-27(30-9-8-19-4-2-3-5-23(19)40-16-25(38)35-20-6-7-20)28(39)36(17)15-24(37)31-12-18-10-21-22(29)14-34-26(21)33-13-18;1-19-14-32-27(34-17-23(21-7-3-2-4-8-21)24-9-5-6-11-29-24)28(37)35(19)18-25(36)31-15-20-13-22-10-12-30-26(22)33-16-20;1-15-9-29-24(27-7-6-17-4-2-3-5-20(17)37-14-22(34)35)25(36)32(15)13-21(33)28-10-16-8-18-19(26)12-31-23(18)30-11-16;25-20-11-31-23(27-5-6-32(12-15-1-2-15)13-16-3-4-16)24(35)33(20)14-21(34)28-8-17-7-18-19(26)10-30-22(18)29-9-17;1-15-10-29-22(31-14-24(25,26)18-4-3-5-19(9-18)35-2)23(34)32(15)13-20(33)28-11-16-8-17-6-7-27-21(17)30-12-16;1-14-9-29-23(27-7-5-17-3-2-16-4-6-26-21(16)32-17)24(35)33(14)13-20(34)28-10-15-8-18-19(25)12-31-22(18)30-11-15;1-14-9-27-22(25-7-6-16-4-3-5-20(30-16)34-2)23(33)31(14)13-19(32)26-10-15-8-17-18(24)12-29-21(17)28-11-15;1-14-9-27-21(25-7-3-6-24-16-4-2-5-16)22(32)30(14)13-19(31)26-10-15-8-17-18(23)12-29-20(17)28-11-15;1-4-16(5-2)24-6-7-25-21-22(32)30(14(3)9-27-21)13-19(31)26-10-15-8-17-18(23)12-29-20(17)28-11-15;22-16-9-30-19(31-11-21(24,25)15-3-1-2-4-26-15)20(34)32(16)10-17(33)27-6-12-5-13-14(23)8-29-18(13)28-7-12;22-16-10-29-19(30-12-21(23,24)15-2-1-4-25-9-15)20(33)31(16)11-17(32)27-7-13-6-14-3-5-26-18(14)28-8-13/h2-15,17,25H,16,18-19H2,1H3,(H,30,33)(H,31,36)(H,32,34);2-5,10-11,13-14,20H,6-9,12,15-16H2,1H3,(H,30,32)(H,31,37)(H,33,34)(H,35,38);2-14,16,23H,15,17-18H2,1H3,(H,30,33)(H,31,36)(H,32,34);2-5,8-9,11-12H,6-7,10,13-14H2,1H3,(H,27,29)(H,28,33)(H,30,31)(H,34,35);7,9-11,15-16H,1-6,8,12-14H2,(H,27,31)(H,28,34)(H,29,30);3-10,12H,11,13-14H2,1-2H3,(H,27,30)(H,28,33)(H,29,31);2-4,6,8-9,11-12,21,26,32H,5,7,10,13H2,1H3,(H,27,29)(H,28,34)(H,30,31);3-5,8-9,11-12H,6-7,10,13H2,1-2H3,(H,25,27)(H,26,32)(H,28,29);8-9,11-12,16,24H,2-7,10,13H2,1H3,(H,25,27)(H,26,31)(H,28,29);8-9,11-12,16,24H,4-7,10,13H2,1-3H3,(H,25,27)(H,26,31)(H,28,29);1-5,7-9H,6,10-11H2,(H,27,33)(H,28,29)(H,30,31);1-6,8-10H,7,11-12H2,(H,26,28)(H,27,32)(H,29,30)
InChIKeyVXMJVHAKMPUDEB-UHFFFAOYSA-N
MW5819.52 g/mol
LogP30.19
Rot. Bonds116

About 2-[3-[2-(7,7a-dihydro-1H-pyrrolo[2,3-b]pyridin-6-yl)ethylamino]-6-methyl-2-oxopyrazin-1-yl]-N-[(3-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]acetamide;2-[3-[2-[bis(cyclopropylmethyl)amino]ethylamino]-6-chloro-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-pyridin-2-ylethyl)amino]-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-pyridin-3-ylethyl)amino]-2-oxopyrazin-1-yl]-N-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)acetamide;2-[3-[3-(cyclobutylamino)propylamino]-6-methyl-2-oxopyrazin-1-yl]-N-[(3-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]acetamide;2-[3-[2-[2-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethylamino]-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-(3-methoxyphenyl)ethyl]amino]-6-methyl-2-oxopyrazin-1-yl]-N-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)acetamide;2-[3-(2,2-diphenylethylamino)-6-methyl-2-oxopyrazin-1-yl]-N-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)acetamide;2-[2-[2-[[4-[2-[(3-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)methylamino]-2-oxoethyl]-5-methyl-3-oxopyrazin-2-yl]amino]ethyl]phenoxy]acetic acid;N-[(3-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]-2-[3-[2-(6-methoxy-2-pyridinyl)ethylamino]-6-methyl-2-oxopyrazin-1-yl]acetamide;N-[(3-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]-2-[6-methyl-2-oxo-3-[2-(pentan-3-ylamino)ethylamino]pyrazin-1-yl]acetamide;2-[6-methyl-2-oxo-3-[(2-phenyl-2-pyridin-2-ylethyl)amino]pyrazin-1-yl]-N-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)acetamide

2-[3-[2-(7,7a-dihydro-1H-pyrrolo[2,3-b]pyridin-6-yl)ethylamino]-6-methyl-2-oxopyrazin-1-yl]-N-[(3-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]acetamide;2-[3-[2-[bis(cyclopropylmethyl)amino]ethylamino]-6-chloro-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-pyridin-2-ylethyl)amino]-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-pyridin-3-ylethyl)amino]-2-oxopyrazin-1-yl]-N-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)acetamide;2-[3-[3-(cyclobutylamino)propylamino]-6-methyl-2-oxopyrazin-1-yl]-N-[(3-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]acetamide;2-[3-[2-[2-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethylamino]-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-(3-methoxyphenyl)ethyl]amino]-6-methyl-2-oxopyrazin-1-yl]-N-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)acetamide;2-[3-(2,2-diphenylethylamino)-6-methyl-2-oxopyrazin-1-yl]-N-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)acetamide;2-[2-[2-[[4-[2-[(3-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)methylamino]-2-oxoethyl]-5-methyl-3-oxopyrazin-2-yl]amino]ethyl]phenoxy]acetic acid;N-[(3-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]-2-[3-[2-(6-methoxy-2-pyridinyl)ethylamino]-6-methyl-2-oxopyrazin-1-yl]acetamide;N-[(3-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]-2-[6-methyl-2-oxo-3-[2-(pentan-3-ylamino)ethylamino]pyrazin-1-yl]acetamide;2-[6-methyl-2-oxo-3-[(2-phenyl-2-pyridin-2-ylethyl)amino]pyrazin-1-yl]-N-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)acetamide (PubChem CID 161426992) has the molecular formula C291H305Cl3F14N82O31 and a molecular weight of 5819.52 g/mol. Its IUPAC name is 2-[3-[2-(7,7a-dihydro-1H-pyrrolo[2,3-b]pyridin-6-yl)ethylamino]-6-methyl-2-oxopyrazin-1-yl]-N-[(3-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]acetamide;2-[3-[2-[bis(cyclopropylmethyl)amino]ethylamino]-6-chloro-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-pyridin-2-ylethyl)amino]-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-pyridin-3-ylethyl)amino]-2-oxopyrazin-1-yl]-N-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)acetamide;2-[3-[3-(cyclobutylamino)propylamino]-6-methyl-2-oxopyrazin-1-yl]-N-[(3-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]acetamide;2-[3-[2-[2-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethylamino]-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-(3-methoxyphenyl)ethyl]amino]-6-methyl-2-oxopyrazin-1-yl]-N-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)acetamide;2-[3-(2,2-diphenylethylamino)-6-methyl-2-oxopyrazin-1-yl]-N-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)acetamide;2-[2-[2-[[4-[2-[(3-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)methylamino]-2-oxoethyl]-5-methyl-3-oxopyrazin-2-yl]amino]ethyl]phenoxy]acetic acid;N-[(3-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]-2-[3-[2-(6-methoxy-2-pyridinyl)ethylamino]-6-methyl-2-oxopyrazin-1-yl]acetamide;N-[(3-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]-2-[6-methyl-2-oxo-3-[2-(pentan-3-ylamino)ethylamino]pyrazin-1-yl]acetamide;2-[6-methyl-2-oxo-3-[(2-phenyl-2-pyridin-2-ylethyl)amino]pyrazin-1-yl]-N-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[3-[2-(7,7a-dihydro-1H-pyrrolo[2,3-b]pyridin-6-yl)ethylamino]-6-methyl-2-oxopyrazin-1-yl]-N-[(3-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]acetamide;2-[3-[2-[bis(cyclopropylmethyl)amino]ethylamino]-6-chloro-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-pyridin-2-ylethyl)amino]-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-pyridin-3-ylethyl)amino]-2-oxopyrazin-1-yl]-N-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)acetamide;2-[3-[3-(cyclobutylamino)propylamino]-6-methyl-2-oxopyrazin-1-yl]-N-[(3-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]acetamide;2-[3-[2-[2-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethylamino]-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-(3-methoxyphenyl)ethyl]amino]-6-methyl-2-oxopyrazin-1-yl]-N-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)acetamide;2-[3-(2,2-diphenylethylamino)-6-methyl-2-oxopyrazin-1-yl]-N-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)acetamide;2-[2-[2-[[4-[2-[(3-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)methylamino]-2-oxoethyl]-5-methyl-3-oxopyrazin-2-yl]amino]ethyl]phenoxy]acetic acid;N-[(3-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]-2-[3-[2-(6-methoxy-2-pyridinyl)ethylamino]-6-methyl-2-oxopyrazin-1-yl]acetamide;N-[(3-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]-2-[6-methyl-2-oxo-3-[2-(pentan-3-ylamino)ethylamino]pyrazin-1-yl]acetamide;2-[6-methyl-2-oxo-3-[(2-phenyl-2-pyridin-2-ylethyl)amino]pyrazin-1-yl]-N-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)acetamide
PubChem CID161426992
Molecular FormulaC291H305Cl3F14N82O31
Molecular Weight5819.52 g/mol
Exact Mass5814.37
IUPAC Name2-[3-[2-(7,7a-dihydro-1H-pyrrolo[2,3-b]pyridin-6-yl)ethylamino]-6-methyl-2-oxopyrazin-1-yl]-N-[(3-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]acetamide;2-[3-[2-[bis(cyclopropylmethyl)amino]ethylamino]-6-chloro-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-pyridin-2-ylethyl)amino]-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-pyridin-3-ylethyl)amino]-2-oxopyrazin-1-yl]-N-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)acetamide;2-[3-[3-(cyclobutylamino)propylamino]-6-methyl-2-oxopyrazin-1-yl]-N-[(3-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]acetamide;2-[3-[2-[2-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethylamino]-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-(3-methoxyphenyl)ethyl]amino]-6-methyl-2-oxopyrazin-1-yl]-N-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)acetamide;2-[3-(2,2-diphenylethylamino)-6-methyl-2-oxopyrazin-1-yl]-N-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)acetamide;2-[2-[2-[[4-[2-[(3-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)methylamino]-2-oxoethyl]-5-methyl-3-oxopyrazin-2-yl]amino]ethyl]phenoxy]acetic acid;N-[(3-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]-2-[3-[2-(6-methoxy-2-pyridinyl)ethylamino]-6-methyl-2-oxopyrazin-1-yl]acetamide;N-[(3-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]-2-[6-methyl-2-oxo-3-[2-(pentan-3-ylamino)ethylamino]pyrazin-1-yl]acetamide;2-[6-methyl-2-oxo-3-[(2-phenyl-2-pyridin-2-ylethyl)amino]pyrazin-1-yl]-N-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)acetamide
SMILESCCC(CC)NCCNc1ncc(C)n(CC(=O)NCc2cnc3[nH]cc(F)c3c2)c1=O.COc1cccc(C(F)(F)CNc2ncc(C)n(CC(=O)NCc3cnc4[nH]ccc4c3)c2=O)c1.COc1cccc(CCNc2ncc(C)n(CC(=O)NCc3cnc4[nH]cc(F)c4c3)c2=O)n1.Cc1cnc(NCC(c2ccccc2)c2ccccc2)c(=O)n1CC(=O)NCc1cnc2[nH]ccc2c1.Cc1cnc(NCC(c2ccccc2)c2ccccn2)c(=O)n1CC(=O)NCc1cnc2[nH]ccc2c1.Cc1cnc(NCCC2=CC=C3C=CNC3N2)c(=O)n1CC(=O)NCc1cnc2[nH]cc(F)c2c1.Cc1cnc(NCCCNC2CCC2)c(=O)n1CC(=O)NCc1cnc2[nH]cc(F)c2c1.Cc1cnc(NCCc2ccccc2OCC(=O)NC2CC2)c(=O)n1CC(=O)NCc1cnc2[nH]cc(F)c2c1.Cc1cnc(NCCc2ccccc2OCC(=O)O)c(=O)n1CC(=O)NCc1cnc2[nH]cc(F)c2c1.O=C(Cn1c(Cl)cnc(NCC(F)(F)c2ccccn2)c1=O)NCc1cnc2[nH]cc(F)c2c1.O=C(Cn1c(Cl)cnc(NCC(F)(F)c2cccnc2)c1=O)NCc1cnc2[nH]ccc2c1.O=C(Cn1c(Cl)cnc(NCCN(CC2CC2)CC2CC2)c1=O)NCc1cnc2[nH]cc(F)c2c1
InChIInChI=1S/C29H28N6O2.C28H30FN7O4.C28H27N7O2.C25H25FN6O5.C24H29ClFN7O2.C24H24F2N6O3.C24H25FN8O2.C23H24FN7O3.C22H28FN7O2.C22H30FN7O2.C21H17ClF3N7O2.C21H18ClF2N7O2/c1-20-15-32-28(34-18-25(22-8-4-2-5-9-22)23-10-6-3-7-11-23)29(37)35(20)19-26(36)31-16-21-14-24-12-13-30-27(24)33-17-21;1-17-11-32-27(30-9-8-19-4-2-3-5-23(19)40-16-25(38)35-20-6-7-20)28(39)36(17)15-24(37)31-12-18-10-21-22(29)14-34-26(21)33-13-18;1-19-14-32-27(34-17-23(21-7-3-2-4-8-21)24-9-5-6-11-29-24)28(37)35(19)18-25(36)31-15-20-13-22-10-12-30-26(22)33-16-20;1-15-9-29-24(27-7-6-17-4-2-3-5-20(17)37-14-22(34)35)25(36)32(15)13-21(33)28-10-16-8-18-19(26)12-31-23(18)30-11-16;25-20-11-31-23(27-5-6-32(12-15-1-2-15)13-16-3-4-16)24(35)33(20)14-21(34)28-8-17-7-18-19(26)10-30-22(18)29-9-17;1-15-10-29-22(31-14-24(25,26)18-4-3-5-19(9-18)35-2)23(34)32(15)13-20(33)28-11-16-8-17-6-7-27-21(17)30-12-16;1-14-9-29-23(27-7-5-17-3-2-16-4-6-26-21(16)32-17)24(35)33(14)13-20(34)28-10-15-8-18-19(25)12-31-22(18)30-11-15;1-14-9-27-22(25-7-6-16-4-3-5-20(30-16)34-2)23(33)31(14)13-19(32)26-10-15-8-17-18(24)12-29-21(17)28-11-15;1-14-9-27-21(25-7-3-6-24-16-4-2-5-16)22(32)30(14)13-19(31)26-10-15-8-17-18(23)12-29-20(17)28-11-15;1-4-16(5-2)24-6-7-25-21-22(32)30(14(3)9-27-21)13-19(31)26-10-15-8-17-18(23)12-29-20(17)28-11-15;22-16-9-30-19(31-11-21(24,25)15-3-1-2-4-26-15)20(34)32(16)10-17(33)27-6-12-5-13-14(23)8-29-18(13)28-7-12;22-16-10-29-19(30-12-21(23,24)15-2-1-4-25-9-15)20(33)31(16)11-17(32)27-7-13-6-14-3-5-26-18(14)28-8-13/h2-15,17,25H,16,18-19H2,1H3,(H,30,33)(H,31,36)(H,32,34);2-5,10-11,13-14,20H,6-9,12,15-16H2,1H3,(H,30,32)(H,31,37)(H,33,34)(H,35,38);2-14,16,23H,15,17-18H2,1H3,(H,30,33)(H,31,36)(H,32,34);2-5,8-9,11-12H,6-7,10,13-14H2,1H3,(H,27,29)(H,28,33)(H,30,31)(H,34,35);7,9-11,15-16H,1-6,8,12-14H2,(H,27,31)(H,28,34)(H,29,30);3-10,12H,11,13-14H2,1-2H3,(H,27,30)(H,28,33)(H,29,31);2-4,6,8-9,11-12,21,26,32H,5,7,10,13H2,1H3,(H,27,29)(H,28,34)(H,30,31);3-5,8-9,11-12H,6-7,10,13H2,1-2H3,(H,25,27)(H,26,32)(H,28,29);8-9,11-12,16,24H,2-7,10,13H2,1H3,(H,25,27)(H,26,31)(H,28,29);8-9,11-12,16,24H,4-7,10,13H2,1-3H3,(H,25,27)(H,26,31)(H,28,29);1-5,7-9H,6,10-11H2,(H,27,33)(H,28,29)(H,30,31);1-6,8-10H,7,11-12H2,(H,26,28)(H,27,32)(H,29,30)
InChIKeyVXMJVHAKMPUDEB-UHFFFAOYSA-N
XLogP30.19
TPSA1462.64 Ų
H-Bond Donors42
H-Bond Acceptors87
Rotatable Bonds116
Heavy Atoms421
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5005819.52
LogP ≤ 530.19
H-Bond Donors ≤ 542
H-Bond Acceptors ≤ 1087

Analyze 2-[3-[2-(7,7a-dihydro-1H-pyrrolo[2,3-b]pyridin-6-yl)ethylamino]-6-methyl-2-oxopyrazin-1-yl]-N-[(3-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]acetamide;2-[3-[2-[bis(cyclopropylmethyl)amino]ethylamino]-6-chloro-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-pyridin-2-ylethyl)amino]-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-pyridin-3-ylethyl)amino]-2-oxopyrazin-1-yl]-N-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)acetamide;2-[3-[3-(cyclobutylamino)propylamino]-6-methyl-2-oxopyrazin-1-yl]-N-[(3-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]acetamide;2-[3-[2-[2-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethylamino]-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-(3-methoxyphenyl)ethyl]amino]-6-methyl-2-oxopyrazin-1-yl]-N-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)acetamide;2-[3-(2,2-diphenylethylamino)-6-methyl-2-oxopyrazin-1-yl]-N-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)acetamide;2-[2-[2-[[4-[2-[(3-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)methylamino]-2-oxoethyl]-5-methyl-3-oxopyrazin-2-yl]amino]ethyl]phenoxy]acetic acid;N-[(3-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]-2-[3-[2-(6-methoxy-2-pyridinyl)ethylamino]-6-methyl-2-oxopyrazin-1-yl]acetamide;N-[(3-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]-2-[6-methyl-2-oxo-3-[2-(pentan-3-ylamino)ethylamino]pyrazin-1-yl]acetamide;2-[6-methyl-2-oxo-3-[(2-phenyl-2-pyridin-2-ylethyl)amino]pyrazin-1-yl]-N-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[2-(7,7a-dihydro-1H-pyrrolo[2,3-b]pyridin-6-yl)ethylamino]-6-methyl-2-oxopyrazin-1-yl]-N-[(3-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]acetamide;2-[3-[2-[bis(cyclopropylmethyl)amino]ethylamino]-6-chloro-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-pyridin-2-ylethyl)amino]-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-pyridin-3-ylethyl)amino]-2-oxopyrazin-1-yl]-N-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)acetamide;2-[3-[3-(cyclobutylamino)propylamino]-6-methyl-2-oxopyrazin-1-yl]-N-[(3-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]acetamide;2-[3-[2-[2-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethylamino]-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-(3-methoxyphenyl)ethyl]amino]-6-methyl-2-oxopyrazin-1-yl]-N-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)acetamide;2-[3-(2,2-diphenylethylamino)-6-methyl-2-oxopyrazin-1-yl]-N-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)acetamide;2-[2-[2-[[4-[2-[(3-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)methylamino]-2-oxoethyl]-5-methyl-3-oxopyrazin-2-yl]amino]ethyl]phenoxy]acetic acid;N-[(3-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]-2-[3-[2-(6-methoxy-2-pyridinyl)ethylamino]-6-methyl-2-oxopyrazin-1-yl]acetamide;N-[(3-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]-2-[6-methyl-2-oxo-3-[2-(pentan-3-ylamino)ethylamino]pyrazin-1-yl]acetamide;2-[6-methyl-2-oxo-3-[(2-phenyl-2-pyridin-2-ylethyl)amino]pyrazin-1-yl]-N-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)acetamide?
The IUPAC name of 2-[3-[2-(7,7a-dihydro-1H-pyrrolo[2,3-b]pyridin-6-yl)ethylamino]-6-methyl-2-oxopyrazin-1-yl]-N-[(3-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]acetamide;2-[3-[2-[bis(cyclopropylmethyl)amino]ethylamino]-6-chloro-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-pyridin-2-ylethyl)amino]-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-pyridin-3-ylethyl)amino]-2-oxopyrazin-1-yl]-N-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)acetamide;2-[3-[3-(cyclobutylamino)propylamino]-6-methyl-2-oxopyrazin-1-yl]-N-[(3-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]acetamide;2-[3-[2-[2-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethylamino]-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-(3-methoxyphenyl)ethyl]amino]-6-methyl-2-oxopyrazin-1-yl]-N-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)acetamide;2-[3-(2,2-diphenylethylamino)-6-methyl-2-oxopyrazin-1-yl]-N-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)acetamide;2-[2-[2-[[4-[2-[(3-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)methylamino]-2-oxoethyl]-5-methyl-3-oxopyrazin-2-yl]amino]ethyl]phenoxy]acetic acid;N-[(3-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]-2-[3-[2-(6-methoxy-2-pyridinyl)ethylamino]-6-methyl-2-oxopyrazin-1-yl]acetamide;N-[(3-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]-2-[6-methyl-2-oxo-3-[2-(pentan-3-ylamino)ethylamino]pyrazin-1-yl]acetamide;2-[6-methyl-2-oxo-3-[(2-phenyl-2-pyridin-2-ylethyl)amino]pyrazin-1-yl]-N-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)acetamide (CID 161426992) is 2-[3-[2-(7,7a-dihydro-1H-pyrrolo[2,3-b]pyridin-6-yl)ethylamino]-6-methyl-2-oxopyrazin-1-yl]-N-[(3-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]acetamide;2-[3-[2-[bis(cyclopropylmethyl)amino]ethylamino]-6-chloro-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-pyridin-2-ylethyl)amino]-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-pyridin-3-ylethyl)amino]-2-oxopyrazin-1-yl]-N-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)acetamide;2-[3-[3-(cyclobutylamino)propylamino]-6-methyl-2-oxopyrazin-1-yl]-N-[(3-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]acetamide;2-[3-[2-[2-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethylamino]-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-(3-methoxyphenyl)ethyl]amino]-6-methyl-2-oxopyrazin-1-yl]-N-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)acetamide;2-[3-(2,2-diphenylethylamino)-6-methyl-2-oxopyrazin-1-yl]-N-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)acetamide;2-[2-[2-[[4-[2-[(3-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)methylamino]-2-oxoethyl]-5-methyl-3-oxopyrazin-2-yl]amino]ethyl]phenoxy]acetic acid;N-[(3-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]-2-[3-[2-(6-methoxy-2-pyridinyl)ethylamino]-6-methyl-2-oxopyrazin-1-yl]acetamide;N-[(3-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]-2-[6-methyl-2-oxo-3-[2-(pentan-3-ylamino)ethylamino]pyrazin-1-yl]acetamide;2-[6-methyl-2-oxo-3-[(2-phenyl-2-pyridin-2-ylethyl)amino]pyrazin-1-yl]-N-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)acetamide.
What is the SMILES notation for 2-[3-[2-(7,7a-dihydro-1H-pyrrolo[2,3-b]pyridin-6-yl)ethylamino]-6-methyl-2-oxopyrazin-1-yl]-N-[(3-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]acetamide;2-[3-[2-[bis(cyclopropylmethyl)amino]ethylamino]-6-chloro-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-pyridin-2-ylethyl)amino]-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-pyridin-3-ylethyl)amino]-2-oxopyrazin-1-yl]-N-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)acetamide;2-[3-[3-(cyclobutylamino)propylamino]-6-methyl-2-oxopyrazin-1-yl]-N-[(3-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]acetamide;2-[3-[2-[2-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethylamino]-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-(3-methoxyphenyl)ethyl]amino]-6-methyl-2-oxopyrazin-1-yl]-N-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)acetamide;2-[3-(2,2-diphenylethylamino)-6-methyl-2-oxopyrazin-1-yl]-N-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)acetamide;2-[2-[2-[[4-[2-[(3-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)methylamino]-2-oxoethyl]-5-methyl-3-oxopyrazin-2-yl]amino]ethyl]phenoxy]acetic acid;N-[(3-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]-2-[3-[2-(6-methoxy-2-pyridinyl)ethylamino]-6-methyl-2-oxopyrazin-1-yl]acetamide;N-[(3-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]-2-[6-methyl-2-oxo-3-[2-(pentan-3-ylamino)ethylamino]pyrazin-1-yl]acetamide;2-[6-methyl-2-oxo-3-[(2-phenyl-2-pyridin-2-ylethyl)amino]pyrazin-1-yl]-N-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)acetamide?
The canonical SMILES for 2-[3-[2-(7,7a-dihydro-1H-pyrrolo[2,3-b]pyridin-6-yl)ethylamino]-6-methyl-2-oxopyrazin-1-yl]-N-[(3-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]acetamide;2-[3-[2-[bis(cyclopropylmethyl)amino]ethylamino]-6-chloro-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-pyridin-2-ylethyl)amino]-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-pyridin-3-ylethyl)amino]-2-oxopyrazin-1-yl]-N-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)acetamide;2-[3-[3-(cyclobutylamino)propylamino]-6-methyl-2-oxopyrazin-1-yl]-N-[(3-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]acetamide;2-[3-[2-[2-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethylamino]-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-(3-methoxyphenyl)ethyl]amino]-6-methyl-2-oxopyrazin-1-yl]-N-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)acetamide;2-[3-(2,2-diphenylethylamino)-6-methyl-2-oxopyrazin-1-yl]-N-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)acetamide;2-[2-[2-[[4-[2-[(3-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)methylamino]-2-oxoethyl]-5-methyl-3-oxopyrazin-2-yl]amino]ethyl]phenoxy]acetic acid;N-[(3-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]-2-[3-[2-(6-methoxy-2-pyridinyl)ethylamino]-6-methyl-2-oxopyrazin-1-yl]acetamide;N-[(3-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]-2-[6-methyl-2-oxo-3-[2-(pentan-3-ylamino)ethylamino]pyrazin-1-yl]acetamide;2-[6-methyl-2-oxo-3-[(2-phenyl-2-pyridin-2-ylethyl)amino]pyrazin-1-yl]-N-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)acetamide is CCC(CC)NCCNc1ncc(C)n(CC(=O)NCc2cnc3[nH]cc(F)c3c2)c1=O.COc1cccc(C(F)(F)CNc2ncc(C)n(CC(=O)NCc3cnc4[nH]ccc4c3)c2=O)c1.COc1cccc(CCNc2ncc(C)n(CC(=O)NCc3cnc4[nH]cc(F)c4c3)c2=O)n1.Cc1cnc(NCC(c2ccccc2)c2ccccc2)c(=O)n1CC(=O)NCc1cnc2[nH]ccc2c1.Cc1cnc(NCC(c2ccccc2)c2ccccn2)c(=O)n1CC(=O)NCc1cnc2[nH]ccc2c1.Cc1cnc(NCCC2=CC=C3C=CNC3N2)c(=O)n1CC(=O)NCc1cnc2[nH]cc(F)c2c1.Cc1cnc(NCCCNC2CCC2)c(=O)n1CC(=O)NCc1cnc2[nH]cc(F)c2c1.Cc1cnc(NCCc2ccccc2OCC(=O)NC2CC2)c(=O)n1CC(=O)NCc1cnc2[nH]cc(F)c2c1.Cc1cnc(NCCc2ccccc2OCC(=O)O)c(=O)n1CC(=O)NCc1cnc2[nH]cc(F)c2c1.O=C(Cn1c(Cl)cnc(NCC(F)(F)c2ccccn2)c1=O)NCc1cnc2[nH]cc(F)c2c1.O=C(Cn1c(Cl)cnc(NCC(F)(F)c2cccnc2)c1=O)NCc1cnc2[nH]ccc2c1.O=C(Cn1c(Cl)cnc(NCCN(CC2CC2)CC2CC2)c1=O)NCc1cnc2[nH]cc(F)c2c1.
What is the InChIKey of 2-[3-[2-(7,7a-dihydro-1H-pyrrolo[2,3-b]pyridin-6-yl)ethylamino]-6-methyl-2-oxopyrazin-1-yl]-N-[(3-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]acetamide;2-[3-[2-[bis(cyclopropylmethyl)amino]ethylamino]-6-chloro-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-pyridin-2-ylethyl)amino]-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-pyridin-3-ylethyl)amino]-2-oxopyrazin-1-yl]-N-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)acetamide;2-[3-[3-(cyclobutylamino)propylamino]-6-methyl-2-oxopyrazin-1-yl]-N-[(3-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]acetamide;2-[3-[2-[2-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethylamino]-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-(3-methoxyphenyl)ethyl]amino]-6-methyl-2-oxopyrazin-1-yl]-N-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)acetamide;2-[3-(2,2-diphenylethylamino)-6-methyl-2-oxopyrazin-1-yl]-N-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)acetamide;2-[2-[2-[[4-[2-[(3-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)methylamino]-2-oxoethyl]-5-methyl-3-oxopyrazin-2-yl]amino]ethyl]phenoxy]acetic acid;N-[(3-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]-2-[3-[2-(6-methoxy-2-pyridinyl)ethylamino]-6-methyl-2-oxopyrazin-1-yl]acetamide;N-[(3-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]-2-[6-methyl-2-oxo-3-[2-(pentan-3-ylamino)ethylamino]pyrazin-1-yl]acetamide;2-[6-methyl-2-oxo-3-[(2-phenyl-2-pyridin-2-ylethyl)amino]pyrazin-1-yl]-N-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)acetamide?
The InChIKey is VXMJVHAKMPUDEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28N6O2.C28H30FN7O4.C28H27N7O2.C25H25FN6O5.C24H29ClFN7O2.C24H24F2N6O3.C24H25FN8O2.C23H24FN7O3.C22H28FN7O2.C22H30FN7O2.C21H17ClF3N7O2.C21H18ClF2N7O2/c1-20-15-32-28(34-18-25(22-8-4-2-5-9-22)23-10-6-3-7-11-23)29(37)35(20)19-26(36)31-16-21-14-24-12-13-30-27(24)33-17-21;1-17-11-32-27(30-9-8-19-4-2-3-5-23(19)40-16-25(38)35-20-6-7-20)28(39)36(17)15-24(37)31-12-18-10-21-22(29)14-34-26(21)33-13-18;1-19-14-32-27(34-17-23(21-7-3-2-4-8-21)24-9-5-6-11-29-24)28(37)35(19)18-25(36)31-15-20-13-22-10-12-30-26(22)33-16-20;1-15-9-29-24(27-7-6-17-4-2-3-5-20(17)37-14-22(34)35)25(36)32(15)13-21(33)28-10-16-8-18-19(26)12-31-23(18)30-11-16;25-20-11-31-23(27-5-6-32(12-15-1-2-15)13-16-3-4-16)24(35)33(20)14-21(34)28-8-17-7-18-19(26)10-30-22(18)29-9-17;1-15-10-29-22(31-14-24(25,26)18-4-3-5-19(9-18)35-2)23(34)32(15)13-20(33)28-11-16-8-17-6-7-27-21(17)30-12-16;1-14-9-29-23(27-7-5-17-3-2-16-4-6-26-21(16)32-17)24(35)33(14)13-20(34)28-10-15-8-18-19(25)12-31-22(18)30-11-15;1-14-9-27-22(25-7-6-16-4-3-5-20(30-16)34-2)23(33)31(14)13-19(32)26-10-15-8-17-18(24)12-29-21(17)28-11-15;1-14-9-27-21(25-7-3-6-24-16-4-2-5-16)22(32)30(14)13-19(31)26-10-15-8-17-18(23)12-29-20(17)28-11-15;1-4-16(5-2)24-6-7-25-21-22(32)30(14(3)9-27-21)13-19(31)26-10-15-8-17-18(23)12-29-20(17)28-11-15;22-16-9-30-19(31-11-21(24,25)15-3-1-2-4-26-15)20(34)32(16)10-17(33)27-6-12-5-13-14(23)8-29-18(13)28-7-12;22-16-10-29-19(30-12-21(23,24)15-2-1-4-25-9-15)20(33)31(16)11-17(32)27-7-13-6-14-3-5-26-18(14)28-8-13/h2-15,17,25H,16,18-19H2,1H3,(H,30,33)(H,31,36)(H,32,34);2-5,10-11,13-14,20H,6-9,12,15-16H2,1H3,(H,30,32)(H,31,37)(H,33,34)(H,35,38);2-14,16,23H,15,17-18H2,1H3,(H,30,33)(H,31,36)(H,32,34);2-5,8-9,11-12H,6-7,10,13-14H2,1H3,(H,27,29)(H,28,33)(H,30,31)(H,34,35);7,9-11,15-16H,1-6,8,12-14H2,(H,27,31)(H,28,34)(H,29,30);3-10,12H,11,13-14H2,1-2H3,(H,27,30)(H,28,33)(H,29,31);2-4,6,8-9,11-12,21,26,32H,5,7,10,13H2,1H3,(H,27,29)(H,28,34)(H,30,31);3-5,8-9,11-12H,6-7,10,13H2,1-2H3,(H,25,27)(H,26,32)(H,28,29);8-9,11-12,16,24H,2-7,10,13H2,1H3,(H,25,27)(H,26,31)(H,28,29);8-9,11-12,16,24H,4-7,10,13H2,1-3H3,(H,25,27)(H,26,31)(H,28,29);1-5,7-9H,6,10-11H2,(H,27,33)(H,28,29)(H,30,31);1-6,8-10H,7,11-12H2,(H,26,28)(H,27,32)(H,29,30).
What are the key properties of 2-[3-[2-(7,7a-dihydro-1H-pyrrolo[2,3-b]pyridin-6-yl)ethylamino]-6-methyl-2-oxopyrazin-1-yl]-N-[(3-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]acetamide;2-[3-[2-[bis(cyclopropylmethyl)amino]ethylamino]-6-chloro-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-pyridin-2-ylethyl)amino]-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-pyridin-3-ylethyl)amino]-2-oxopyrazin-1-yl]-N-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)acetamide;2-[3-[3-(cyclobutylamino)propylamino]-6-methyl-2-oxopyrazin-1-yl]-N-[(3-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]acetamide;2-[3-[2-[2-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethylamino]-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-(3-methoxyphenyl)ethyl]amino]-6-methyl-2-oxopyrazin-1-yl]-N-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)acetamide;2-[3-(2,2-diphenylethylamino)-6-methyl-2-oxopyrazin-1-yl]-N-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)acetamide;2-[2-[2-[[4-[2-[(3-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)methylamino]-2-oxoethyl]-5-methyl-3-oxopyrazin-2-yl]amino]ethyl]phenoxy]acetic acid;N-[(3-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]-2-[3-[2-(6-methoxy-2-pyridinyl)ethylamino]-6-methyl-2-oxopyrazin-1-yl]acetamide;N-[(3-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]-2-[6-methyl-2-oxo-3-[2-(pentan-3-ylamino)ethylamino]pyrazin-1-yl]acetamide;2-[6-methyl-2-oxo-3-[(2-phenyl-2-pyridin-2-ylethyl)amino]pyrazin-1-yl]-N-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)acetamide?
2-[3-[2-(7,7a-dihydro-1H-pyrrolo[2,3-b]pyridin-6-yl)ethylamino]-6-methyl-2-oxopyrazin-1-yl]-N-[(3-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]acetamide;2-[3-[2-[bis(cyclopropylmethyl)amino]ethylamino]-6-chloro-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-pyridin-2-ylethyl)amino]-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-pyridin-3-ylethyl)amino]-2-oxopyrazin-1-yl]-N-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)acetamide;2-[3-[3-(cyclobutylamino)propylamino]-6-methyl-2-oxopyrazin-1-yl]-N-[(3-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]acetamide;2-[3-[2-[2-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethylamino]-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-(3-methoxyphenyl)ethyl]amino]-6-methyl-2-oxopyrazin-1-yl]-N-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)acetamide;2-[3-(2,2-diphenylethylamino)-6-methyl-2-oxopyrazin-1-yl]-N-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)acetamide;2-[2-[2-[[4-[2-[(3-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)methylamino]-2-oxoethyl]-5-methyl-3-oxopyrazin-2-yl]amino]ethyl]phenoxy]acetic acid;N-[(3-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]-2-[3-[2-(6-methoxy-2-pyridinyl)ethylamino]-6-methyl-2-oxopyrazin-1-yl]acetamide;N-[(3-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]-2-[6-methyl-2-oxo-3-[2-(pentan-3-ylamino)ethylamino]pyrazin-1-yl]acetamide;2-[6-methyl-2-oxo-3-[(2-phenyl-2-pyridin-2-ylethyl)amino]pyrazin-1-yl]-N-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)acetamide has a molecular weight of 5819.52 g/mol, XLogP of 30.19, 116 rotatable bonds, 42 hydrogen bond donors, and 87 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[2-(7,7a-dihydro-1H-pyrrolo[2,3-b]pyridin-6-yl)ethylamino]-6-methyl-2-oxopyrazin-1-yl]-N-[(3-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]acetamide;2-[3-[2-[bis(cyclopropylmethyl)amino]ethylamino]-6-chloro-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-pyridin-2-ylethyl)amino]-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-pyridin-3-ylethyl)amino]-2-oxopyrazin-1-yl]-N-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)acetamide;2-[3-[3-(cyclobutylamino)propylamino]-6-methyl-2-oxopyrazin-1-yl]-N-[(3-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]acetamide;2-[3-[2-[2-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethylamino]-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-(3-methoxyphenyl)ethyl]amino]-6-methyl-2-oxopyrazin-1-yl]-N-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)acetamide;2-[3-(2,2-diphenylethylamino)-6-methyl-2-oxopyrazin-1-yl]-N-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)acetamide;2-[2-[2-[[4-[2-[(3-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)methylamino]-2-oxoethyl]-5-methyl-3-oxopyrazin-2-yl]amino]ethyl]phenoxy]acetic acid;N-[(3-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]-2-[3-[2-(6-methoxy-2-pyridinyl)ethylamino]-6-methyl-2-oxopyrazin-1-yl]acetamide;N-[(3-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]-2-[6-methyl-2-oxo-3-[2-(pentan-3-ylamino)ethylamino]pyrazin-1-yl]acetamide;2-[6-methyl-2-oxo-3-[(2-phenyl-2-pyridin-2-ylethyl)amino]pyrazin-1-yl]-N-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)acetamide is sourced from PubChem (CID 161426992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).