2-[3-[[(3S,4R)-1-acetyl-4-(3,4-difluorophenyl)pyrrolidin-3-yl]amino]-6-chloro-2-oxopyrazin-1-yl]-N-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)acetamide;2-[3-[[(3S,4R)-1-acetyl-4-phenylpyrrolidin-3-yl]amino]-6-chloro-2-oxopyrazin-1-yl]-N-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)acetamide;2-[6-chloro-3-[3-(cyclobutylamino)propylamino]-2-oxopyrazin-1-yl]-N-[(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]acetamide;2-[6-chloro-3-[3-[cyclobutyl(methyl)amino]propylamino]-2-oxopyrazin-1-yl]-N-[(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]acetamide;2-[6-chloro-3-[[(1R,2R)-2-(cyclopropylmethoxy)cyclopentyl]amino]-2-oxopyrazin-1-yl]-N-[(3-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]acetamide;2-[6-chloro-3-[[(4R)-4-(3,4-difluorophenyl)-1-(2-hydroxy-2-methylpropyl)pyrrolidin-3-yl]amino]-2-oxopyrazin-1-yl]-N-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)acetamide;2-[6-chloro-2-oxo-3-(2-pyridin-3-ylethylamino)pyrazin-1-yl]-N-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)acetamide;N-[(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]-2-[3-[3-(cyclobutylamino)propylamino]-2-oxopyrazin-1-yl]acetamide;2-[6-cyano-3-[[2,2-difluoro-2-(3-methoxyphenyl)ethyl]amino]-2-oxopyrazin-1-yl]-N-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)acetamide;N-[(3-cyano-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]-2-[6-methyl-2-oxo-3-(2-phenylethylamino)pyrazin-1-yl]acetamide

C236H248Cl10F7N69O25 — CID 159737802

IUPAC2-[3-[[(3S,4R)-1-acetyl-4-(3,4-difluorophenyl)pyrrolidin-3-yl]amino]-6-chloro-2-oxopyrazin-1-yl]-N-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)acetamide;2-[3-[[(3S,4R)-1-acetyl-4-phenylpyrrolidin-3-yl]amino]-6-chloro-2-oxopyrazin-1-yl]-N-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)acetamide;2-[6-chloro-3-[3-(cyclobutylamino)propylamino]-2-oxopyrazin-1-yl]-N-[(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]acetamide;2-[6-chloro-3-[3-[cyclobutyl(methyl)amino]propylamino]-2-oxopyrazin-1-yl]-N-[(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]acetamide;2-[6-chloro-3-[[(1R,2R)-2-(cyclopropylmethoxy)cyclopentyl]amino]-2-oxopyrazin-1-yl]-N-[(3-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]acetamide;2-[6-chloro-3-[[(4R)-4-(3,4-difluorophenyl)-1-(2-hydroxy-2-methylpropyl)pyrrolidin-3-yl]amino]-2-oxopyrazin-1-yl]-N-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)acetamide;2-[6-chloro-2-oxo-3-(2-pyridin-3-ylethylamino)pyrazin-1-yl]-N-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)acetamide;N-[(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]-2-[3-[3-(cyclobutylamino)propylamino]-2-oxopyrazin-1-yl]acetamide;2-[6-cyano-3-[[2,2-difluoro-2-(3-methoxyphenyl)ethyl]amino]-2-oxopyrazin-1-yl]-N-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)acetamide;N-[(3-cyano-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]-2-[6-methyl-2-oxo-3-(2-phenylethylamino)pyrazin-1-yl]acetamide
SMILESCC(=O)N1C[C@@H](Nc2ncc(Cl)n(CC(=O)NCc3cnc4[nH]ccc4c3)c2=O)[C@H](c2ccc(F)c(F)c2)C1.CC(=O)N1C[C@@H](Nc2ncc(Cl)n(CC(=O)NCc3cnc4[nH]ccc4c3)c2=O)[C@H](c2ccccc2)C1.CC(C)(O)CN1CC(Nc2ncc(Cl)n(CC(=O)NCc3cnc4[nH]ccc4c3)c2=O)[C@H](c2ccc(F)c(F)c2)C1.CN(CCCNc1ncc(Cl)n(CC(=O)NCc2cnc3[nH]cc(Cl)c3c2)c1=O)C1CCC1.COc1cccc(C(F)(F)CNc2ncc(C#N)n(CC(=O)NCc3cnc4[nH]ccc4c3)c2=O)c1.Cc1cnc(NCCc2ccccc2)c(=O)n1CC(=O)NCc1cnc2[nH]cc(C#N)c2c1.O=C(Cn1c(Cl)cnc(NCCCNC2CCC2)c1=O)NCc1cnc2[nH]cc(Cl)c2c1.O=C(Cn1c(Cl)cnc(NCCc2cccnc2)c1=O)NCc1cnc2[nH]ccc2c1.O=C(Cn1c(Cl)cnc(N[C@@H]2CCC[C@H]2OCC2CC2)c1=O)NCc1cnc2[nH]cc(F)c2c1.O=C(Cn1ccnc(NCCCNC2CCC2)c1=O)NCc1cnc2[nH]cc(Cl)c2c1
InChIInChI=1S/C28H30ClF2N7O3.C26H24ClF2N7O3.C26H26ClN7O3.C24H21F2N7O3.C24H23N7O2.C23H26ClFN6O3.C22H27Cl2N7O2.C21H25Cl2N7O2.C21H26ClN7O2.C21H20ClN7O2/c1-28(2,41)15-37-12-19(17-3-4-20(30)21(31)8-17)22(13-37)36-26-27(40)38(23(29)11-35-26)14-24(39)33-9-16-7-18-5-6-32-25(18)34-10-16;1-14(37)35-11-18(16-2-3-19(28)20(29)7-16)21(12-35)34-25-26(39)36(22(27)10-33-25)13-23(38)31-8-15-6-17-4-5-30-24(17)32-9-15;1-16(35)33-13-20(18-5-3-2-4-6-18)21(14-33)32-25-26(37)34(22(27)12-31-25)15-23(36)29-10-17-9-19-7-8-28-24(19)30-11-17;1-36-19-4-2-3-17(8-19)24(25,26)14-32-22-23(35)33(18(9-27)12-31-22)13-20(34)29-10-15-7-16-5-6-28-21(16)30-11-15;1-16-11-28-23(26-8-7-17-5-3-2-4-6-17)24(33)31(16)15-21(32)27-12-18-9-20-19(10-25)14-30-22(20)29-13-18;24-19-10-29-22(30-17-2-1-3-18(17)34-12-13-4-5-13)23(33)31(19)11-20(32)26-7-14-6-15-16(25)9-28-21(15)27-8-14;1-30(15-4-2-5-15)7-3-6-25-21-22(33)31(18(24)12-29-21)13-19(32)26-9-14-8-16-17(23)11-28-20(16)27-10-14;22-16-10-28-19-15(16)7-13(9-27-19)8-26-18(31)12-30-17(23)11-29-20(21(30)32)25-6-2-5-24-14-3-1-4-14;22-17-12-28-19-16(17)9-14(11-27-19)10-26-18(30)13-29-8-7-25-20(21(29)31)24-6-2-5-23-15-3-1-4-15;22-17-12-28-20(25-6-3-14-2-1-5-23-9-14)21(31)29(17)13-18(30)26-10-15-8-16-4-7-24-19(16)27-11-15/h3-8,10-11,19,22,41H,9,12-15H2,1-2H3,(H,32,34)(H,33,39)(H,35,36);2-7,9-10,18,21H,8,11-13H2,1H3,(H,30,32)(H,31,38)(H,33,34);2-9,11-12,20-21H,10,13-15H2,1H3,(H,28,30)(H,29,36)(H,31,32);2-8,11-12H,10,13-14H2,1H3,(H,28,30)(H,29,34)(H,31,32);2-6,9,11,13-14H,7-8,12,15H2,1H3,(H,26,28)(H,27,32)(H,29,30);6,8-10,13,17-18H,1-5,7,11-12H2,(H,26,32)(H,27,28)(H,29,30);8,10-12,15H,2-7,9,13H2,1H3,(H,25,29)(H,26,32)(H,27,28);7,9-11,14,24H,1-6,8,12H2,(H,25,29)(H,26,31)(H,27,28);7-9,11-12,15,23H,1-6,10,13H2,(H,24,25)(H,26,30)(H,27,28);1-2,4-5,7-9,11-12H,3,6,10,13H2,(H,24,27)(H,25,28)(H,26,30)/t19-,22?;18-,21+;20-,21+;;;17-,18-;;;;/m000..1..../s1
InChIKeyNCBBKNJEEGMFOM-SCDFRAQYSA-N
MW4938.55 g/mol
LogP26.00
Rot. Bonds87

About 2-[3-[[(3S,4R)-1-acetyl-4-(3,4-difluorophenyl)pyrrolidin-3-yl]amino]-6-chloro-2-oxopyrazin-1-yl]-N-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)acetamide;2-[3-[[(3S,4R)-1-acetyl-4-phenylpyrrolidin-3-yl]amino]-6-chloro-2-oxopyrazin-1-yl]-N-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)acetamide;2-[6-chloro-3-[3-(cyclobutylamino)propylamino]-2-oxopyrazin-1-yl]-N-[(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]acetamide;2-[6-chloro-3-[3-[cyclobutyl(methyl)amino]propylamino]-2-oxopyrazin-1-yl]-N-[(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]acetamide;2-[6-chloro-3-[[(1R,2R)-2-(cyclopropylmethoxy)cyclopentyl]amino]-2-oxopyrazin-1-yl]-N-[(3-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]acetamide;2-[6-chloro-3-[[(4R)-4-(3,4-difluorophenyl)-1-(2-hydroxy-2-methylpropyl)pyrrolidin-3-yl]amino]-2-oxopyrazin-1-yl]-N-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)acetamide;2-[6-chloro-2-oxo-3-(2-pyridin-3-ylethylamino)pyrazin-1-yl]-N-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)acetamide;N-[(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]-2-[3-[3-(cyclobutylamino)propylamino]-2-oxopyrazin-1-yl]acetamide;2-[6-cyano-3-[[2,2-difluoro-2-(3-methoxyphenyl)ethyl]amino]-2-oxopyrazin-1-yl]-N-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)acetamide;N-[(3-cyano-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]-2-[6-methyl-2-oxo-3-(2-phenylethylamino)pyrazin-1-yl]acetamide

2-[3-[[(3S,4R)-1-acetyl-4-(3,4-difluorophenyl)pyrrolidin-3-yl]amino]-6-chloro-2-oxopyrazin-1-yl]-N-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)acetamide;2-[3-[[(3S,4R)-1-acetyl-4-phenylpyrrolidin-3-yl]amino]-6-chloro-2-oxopyrazin-1-yl]-N-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)acetamide;2-[6-chloro-3-[3-(cyclobutylamino)propylamino]-2-oxopyrazin-1-yl]-N-[(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]acetamide;2-[6-chloro-3-[3-[cyclobutyl(methyl)amino]propylamino]-2-oxopyrazin-1-yl]-N-[(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]acetamide;2-[6-chloro-3-[[(1R,2R)-2-(cyclopropylmethoxy)cyclopentyl]amino]-2-oxopyrazin-1-yl]-N-[(3-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]acetamide;2-[6-chloro-3-[[(4R)-4-(3,4-difluorophenyl)-1-(2-hydroxy-2-methylpropyl)pyrrolidin-3-yl]amino]-2-oxopyrazin-1-yl]-N-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)acetamide;2-[6-chloro-2-oxo-3-(2-pyridin-3-ylethylamino)pyrazin-1-yl]-N-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)acetamide;N-[(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]-2-[3-[3-(cyclobutylamino)propylamino]-2-oxopyrazin-1-yl]acetamide;2-[6-cyano-3-[[2,2-difluoro-2-(3-methoxyphenyl)ethyl]amino]-2-oxopyrazin-1-yl]-N-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)acetamide;N-[(3-cyano-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]-2-[6-methyl-2-oxo-3-(2-phenylethylamino)pyrazin-1-yl]acetamide (PubChem CID 159737802) has the molecular formula C236H248Cl10F7N69O25 and a molecular weight of 4938.55 g/mol. Its IUPAC name is 2-[3-[[(3S,4R)-1-acetyl-4-(3,4-difluorophenyl)pyrrolidin-3-yl]amino]-6-chloro-2-oxopyrazin-1-yl]-N-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)acetamide;2-[3-[[(3S,4R)-1-acetyl-4-phenylpyrrolidin-3-yl]amino]-6-chloro-2-oxopyrazin-1-yl]-N-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)acetamide;2-[6-chloro-3-[3-(cyclobutylamino)propylamino]-2-oxopyrazin-1-yl]-N-[(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]acetamide;2-[6-chloro-3-[3-[cyclobutyl(methyl)amino]propylamino]-2-oxopyrazin-1-yl]-N-[(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]acetamide;2-[6-chloro-3-[[(1R,2R)-2-(cyclopropylmethoxy)cyclopentyl]amino]-2-oxopyrazin-1-yl]-N-[(3-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]acetamide;2-[6-chloro-3-[[(4R)-4-(3,4-difluorophenyl)-1-(2-hydroxy-2-methylpropyl)pyrrolidin-3-yl]amino]-2-oxopyrazin-1-yl]-N-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)acetamide;2-[6-chloro-2-oxo-3-(2-pyridin-3-ylethylamino)pyrazin-1-yl]-N-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)acetamide;N-[(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]-2-[3-[3-(cyclobutylamino)propylamino]-2-oxopyrazin-1-yl]acetamide;2-[6-cyano-3-[[2,2-difluoro-2-(3-methoxyphenyl)ethyl]amino]-2-oxopyrazin-1-yl]-N-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)acetamide;N-[(3-cyano-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]-2-[6-methyl-2-oxo-3-(2-phenylethylamino)pyrazin-1-yl]acetamide.

Molecular Properties

Compound Name2-[3-[[(3S,4R)-1-acetyl-4-(3,4-difluorophenyl)pyrrolidin-3-yl]amino]-6-chloro-2-oxopyrazin-1-yl]-N-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)acetamide;2-[3-[[(3S,4R)-1-acetyl-4-phenylpyrrolidin-3-yl]amino]-6-chloro-2-oxopyrazin-1-yl]-N-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)acetamide;2-[6-chloro-3-[3-(cyclobutylamino)propylamino]-2-oxopyrazin-1-yl]-N-[(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]acetamide;2-[6-chloro-3-[3-[cyclobutyl(methyl)amino]propylamino]-2-oxopyrazin-1-yl]-N-[(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]acetamide;2-[6-chloro-3-[[(1R,2R)-2-(cyclopropylmethoxy)cyclopentyl]amino]-2-oxopyrazin-1-yl]-N-[(3-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]acetamide;2-[6-chloro-3-[[(4R)-4-(3,4-difluorophenyl)-1-(2-hydroxy-2-methylpropyl)pyrrolidin-3-yl]amino]-2-oxopyrazin-1-yl]-N-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)acetamide;2-[6-chloro-2-oxo-3-(2-pyridin-3-ylethylamino)pyrazin-1-yl]-N-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)acetamide;N-[(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]-2-[3-[3-(cyclobutylamino)propylamino]-2-oxopyrazin-1-yl]acetamide;2-[6-cyano-3-[[2,2-difluoro-2-(3-methoxyphenyl)ethyl]amino]-2-oxopyrazin-1-yl]-N-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)acetamide;N-[(3-cyano-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]-2-[6-methyl-2-oxo-3-(2-phenylethylamino)pyrazin-1-yl]acetamide
PubChem CID159737802
Molecular FormulaC236H248Cl10F7N69O25
Molecular Weight4938.55 g/mol
Exact Mass4930.70
IUPAC Name2-[3-[[(3S,4R)-1-acetyl-4-(3,4-difluorophenyl)pyrrolidin-3-yl]amino]-6-chloro-2-oxopyrazin-1-yl]-N-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)acetamide;2-[3-[[(3S,4R)-1-acetyl-4-phenylpyrrolidin-3-yl]amino]-6-chloro-2-oxopyrazin-1-yl]-N-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)acetamide;2-[6-chloro-3-[3-(cyclobutylamino)propylamino]-2-oxopyrazin-1-yl]-N-[(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]acetamide;2-[6-chloro-3-[3-[cyclobutyl(methyl)amino]propylamino]-2-oxopyrazin-1-yl]-N-[(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]acetamide;2-[6-chloro-3-[[(1R,2R)-2-(cyclopropylmethoxy)cyclopentyl]amino]-2-oxopyrazin-1-yl]-N-[(3-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]acetamide;2-[6-chloro-3-[[(4R)-4-(3,4-difluorophenyl)-1-(2-hydroxy-2-methylpropyl)pyrrolidin-3-yl]amino]-2-oxopyrazin-1-yl]-N-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)acetamide;2-[6-chloro-2-oxo-3-(2-pyridin-3-ylethylamino)pyrazin-1-yl]-N-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)acetamide;N-[(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]-2-[3-[3-(cyclobutylamino)propylamino]-2-oxopyrazin-1-yl]acetamide;2-[6-cyano-3-[[2,2-difluoro-2-(3-methoxyphenyl)ethyl]amino]-2-oxopyrazin-1-yl]-N-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)acetamide;N-[(3-cyano-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]-2-[6-methyl-2-oxo-3-(2-phenylethylamino)pyrazin-1-yl]acetamide
SMILESCC(=O)N1C[C@@H](Nc2ncc(Cl)n(CC(=O)NCc3cnc4[nH]ccc4c3)c2=O)[C@H](c2ccc(F)c(F)c2)C1.CC(=O)N1C[C@@H](Nc2ncc(Cl)n(CC(=O)NCc3cnc4[nH]ccc4c3)c2=O)[C@H](c2ccccc2)C1.CC(C)(O)CN1CC(Nc2ncc(Cl)n(CC(=O)NCc3cnc4[nH]ccc4c3)c2=O)[C@H](c2ccc(F)c(F)c2)C1.CN(CCCNc1ncc(Cl)n(CC(=O)NCc2cnc3[nH]cc(Cl)c3c2)c1=O)C1CCC1.COc1cccc(C(F)(F)CNc2ncc(C#N)n(CC(=O)NCc3cnc4[nH]ccc4c3)c2=O)c1.Cc1cnc(NCCc2ccccc2)c(=O)n1CC(=O)NCc1cnc2[nH]cc(C#N)c2c1.O=C(Cn1c(Cl)cnc(NCCCNC2CCC2)c1=O)NCc1cnc2[nH]cc(Cl)c2c1.O=C(Cn1c(Cl)cnc(NCCc2cccnc2)c1=O)NCc1cnc2[nH]ccc2c1.O=C(Cn1c(Cl)cnc(N[C@@H]2CCC[C@H]2OCC2CC2)c1=O)NCc1cnc2[nH]cc(F)c2c1.O=C(Cn1ccnc(NCCCNC2CCC2)c1=O)NCc1cnc2[nH]cc(Cl)c2c1
InChIInChI=1S/C28H30ClF2N7O3.C26H24ClF2N7O3.C26H26ClN7O3.C24H21F2N7O3.C24H23N7O2.C23H26ClFN6O3.C22H27Cl2N7O2.C21H25Cl2N7O2.C21H26ClN7O2.C21H20ClN7O2/c1-28(2,41)15-37-12-19(17-3-4-20(30)21(31)8-17)22(13-37)36-26-27(40)38(23(29)11-35-26)14-24(39)33-9-16-7-18-5-6-32-25(18)34-10-16;1-14(37)35-11-18(16-2-3-19(28)20(29)7-16)21(12-35)34-25-26(39)36(22(27)10-33-25)13-23(38)31-8-15-6-17-4-5-30-24(17)32-9-15;1-16(35)33-13-20(18-5-3-2-4-6-18)21(14-33)32-25-26(37)34(22(27)12-31-25)15-23(36)29-10-17-9-19-7-8-28-24(19)30-11-17;1-36-19-4-2-3-17(8-19)24(25,26)14-32-22-23(35)33(18(9-27)12-31-22)13-20(34)29-10-15-7-16-5-6-28-21(16)30-11-15;1-16-11-28-23(26-8-7-17-5-3-2-4-6-17)24(33)31(16)15-21(32)27-12-18-9-20-19(10-25)14-30-22(20)29-13-18;24-19-10-29-22(30-17-2-1-3-18(17)34-12-13-4-5-13)23(33)31(19)11-20(32)26-7-14-6-15-16(25)9-28-21(15)27-8-14;1-30(15-4-2-5-15)7-3-6-25-21-22(33)31(18(24)12-29-21)13-19(32)26-9-14-8-16-17(23)11-28-20(16)27-10-14;22-16-10-28-19-15(16)7-13(9-27-19)8-26-18(31)12-30-17(23)11-29-20(21(30)32)25-6-2-5-24-14-3-1-4-14;22-17-12-28-19-16(17)9-14(11-27-19)10-26-18(30)13-29-8-7-25-20(21(29)31)24-6-2-5-23-15-3-1-4-15;22-17-12-28-20(25-6-3-14-2-1-5-23-9-14)21(31)29(17)13-18(30)26-10-15-8-16-4-7-24-19(16)27-11-15/h3-8,10-11,19,22,41H,9,12-15H2,1-2H3,(H,32,34)(H,33,39)(H,35,36);2-7,9-10,18,21H,8,11-13H2,1H3,(H,30,32)(H,31,38)(H,33,34);2-9,11-12,20-21H,10,13-15H2,1H3,(H,28,30)(H,29,36)(H,31,32);2-8,11-12H,10,13-14H2,1H3,(H,28,30)(H,29,34)(H,31,32);2-6,9,11,13-14H,7-8,12,15H2,1H3,(H,26,28)(H,27,32)(H,29,30);6,8-10,13,17-18H,1-5,7,11-12H2,(H,26,32)(H,27,28)(H,29,30);8,10-12,15H,2-7,9,13H2,1H3,(H,25,29)(H,26,32)(H,27,28);7,9-11,14,24H,1-6,8,12H2,(H,25,29)(H,26,31)(H,27,28);7-9,11-12,15,23H,1-6,10,13H2,(H,24,25)(H,26,30)(H,27,28);1-2,4-5,7-9,11-12H,3,6,10,13H2,(H,24,27)(H,25,28)(H,26,30)/t19-,22?;18-,21+;20-,21+;;;17-,18-;;;;/m000..1..../s1
InChIKeyNCBBKNJEEGMFOM-SCDFRAQYSA-N
XLogP26.00
TPSA1217.32 Ų
H-Bond Donors33
H-Bond Acceptors72
Rotatable Bonds87
Heavy Atoms347
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004938.55
LogP ≤ 526.00
H-Bond Donors ≤ 533
H-Bond Acceptors ≤ 1072

Analyze 2-[3-[[(3S,4R)-1-acetyl-4-(3,4-difluorophenyl)pyrrolidin-3-yl]amino]-6-chloro-2-oxopyrazin-1-yl]-N-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)acetamide;2-[3-[[(3S,4R)-1-acetyl-4-phenylpyrrolidin-3-yl]amino]-6-chloro-2-oxopyrazin-1-yl]-N-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)acetamide;2-[6-chloro-3-[3-(cyclobutylamino)propylamino]-2-oxopyrazin-1-yl]-N-[(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]acetamide;2-[6-chloro-3-[3-[cyclobutyl(methyl)amino]propylamino]-2-oxopyrazin-1-yl]-N-[(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]acetamide;2-[6-chloro-3-[[(1R,2R)-2-(cyclopropylmethoxy)cyclopentyl]amino]-2-oxopyrazin-1-yl]-N-[(3-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]acetamide;2-[6-chloro-3-[[(4R)-4-(3,4-difluorophenyl)-1-(2-hydroxy-2-methylpropyl)pyrrolidin-3-yl]amino]-2-oxopyrazin-1-yl]-N-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)acetamide;2-[6-chloro-2-oxo-3-(2-pyridin-3-ylethylamino)pyrazin-1-yl]-N-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)acetamide;N-[(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]-2-[3-[3-(cyclobutylamino)propylamino]-2-oxopyrazin-1-yl]acetamide;2-[6-cyano-3-[[2,2-difluoro-2-(3-methoxyphenyl)ethyl]amino]-2-oxopyrazin-1-yl]-N-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)acetamide;N-[(3-cyano-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]-2-[6-methyl-2-oxo-3-(2-phenylethylamino)pyrazin-1-yl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[[(3S,4R)-1-acetyl-4-(3,4-difluorophenyl)pyrrolidin-3-yl]amino]-6-chloro-2-oxopyrazin-1-yl]-N-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)acetamide;2-[3-[[(3S,4R)-1-acetyl-4-phenylpyrrolidin-3-yl]amino]-6-chloro-2-oxopyrazin-1-yl]-N-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)acetamide;2-[6-chloro-3-[3-(cyclobutylamino)propylamino]-2-oxopyrazin-1-yl]-N-[(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]acetamide;2-[6-chloro-3-[3-[cyclobutyl(methyl)amino]propylamino]-2-oxopyrazin-1-yl]-N-[(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]acetamide;2-[6-chloro-3-[[(1R,2R)-2-(cyclopropylmethoxy)cyclopentyl]amino]-2-oxopyrazin-1-yl]-N-[(3-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]acetamide;2-[6-chloro-3-[[(4R)-4-(3,4-difluorophenyl)-1-(2-hydroxy-2-methylpropyl)pyrrolidin-3-yl]amino]-2-oxopyrazin-1-yl]-N-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)acetamide;2-[6-chloro-2-oxo-3-(2-pyridin-3-ylethylamino)pyrazin-1-yl]-N-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)acetamide;N-[(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]-2-[3-[3-(cyclobutylamino)propylamino]-2-oxopyrazin-1-yl]acetamide;2-[6-cyano-3-[[2,2-difluoro-2-(3-methoxyphenyl)ethyl]amino]-2-oxopyrazin-1-yl]-N-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)acetamide;N-[(3-cyano-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]-2-[6-methyl-2-oxo-3-(2-phenylethylamino)pyrazin-1-yl]acetamide?
The IUPAC name of 2-[3-[[(3S,4R)-1-acetyl-4-(3,4-difluorophenyl)pyrrolidin-3-yl]amino]-6-chloro-2-oxopyrazin-1-yl]-N-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)acetamide;2-[3-[[(3S,4R)-1-acetyl-4-phenylpyrrolidin-3-yl]amino]-6-chloro-2-oxopyrazin-1-yl]-N-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)acetamide;2-[6-chloro-3-[3-(cyclobutylamino)propylamino]-2-oxopyrazin-1-yl]-N-[(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]acetamide;2-[6-chloro-3-[3-[cyclobutyl(methyl)amino]propylamino]-2-oxopyrazin-1-yl]-N-[(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]acetamide;2-[6-chloro-3-[[(1R,2R)-2-(cyclopropylmethoxy)cyclopentyl]amino]-2-oxopyrazin-1-yl]-N-[(3-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]acetamide;2-[6-chloro-3-[[(4R)-4-(3,4-difluorophenyl)-1-(2-hydroxy-2-methylpropyl)pyrrolidin-3-yl]amino]-2-oxopyrazin-1-yl]-N-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)acetamide;2-[6-chloro-2-oxo-3-(2-pyridin-3-ylethylamino)pyrazin-1-yl]-N-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)acetamide;N-[(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]-2-[3-[3-(cyclobutylamino)propylamino]-2-oxopyrazin-1-yl]acetamide;2-[6-cyano-3-[[2,2-difluoro-2-(3-methoxyphenyl)ethyl]amino]-2-oxopyrazin-1-yl]-N-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)acetamide;N-[(3-cyano-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]-2-[6-methyl-2-oxo-3-(2-phenylethylamino)pyrazin-1-yl]acetamide (CID 159737802) is 2-[3-[[(3S,4R)-1-acetyl-4-(3,4-difluorophenyl)pyrrolidin-3-yl]amino]-6-chloro-2-oxopyrazin-1-yl]-N-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)acetamide;2-[3-[[(3S,4R)-1-acetyl-4-phenylpyrrolidin-3-yl]amino]-6-chloro-2-oxopyrazin-1-yl]-N-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)acetamide;2-[6-chloro-3-[3-(cyclobutylamino)propylamino]-2-oxopyrazin-1-yl]-N-[(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]acetamide;2-[6-chloro-3-[3-[cyclobutyl(methyl)amino]propylamino]-2-oxopyrazin-1-yl]-N-[(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]acetamide;2-[6-chloro-3-[[(1R,2R)-2-(cyclopropylmethoxy)cyclopentyl]amino]-2-oxopyrazin-1-yl]-N-[(3-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]acetamide;2-[6-chloro-3-[[(4R)-4-(3,4-difluorophenyl)-1-(2-hydroxy-2-methylpropyl)pyrrolidin-3-yl]amino]-2-oxopyrazin-1-yl]-N-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)acetamide;2-[6-chloro-2-oxo-3-(2-pyridin-3-ylethylamino)pyrazin-1-yl]-N-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)acetamide;N-[(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]-2-[3-[3-(cyclobutylamino)propylamino]-2-oxopyrazin-1-yl]acetamide;2-[6-cyano-3-[[2,2-difluoro-2-(3-methoxyphenyl)ethyl]amino]-2-oxopyrazin-1-yl]-N-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)acetamide;N-[(3-cyano-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]-2-[6-methyl-2-oxo-3-(2-phenylethylamino)pyrazin-1-yl]acetamide.
What is the SMILES notation for 2-[3-[[(3S,4R)-1-acetyl-4-(3,4-difluorophenyl)pyrrolidin-3-yl]amino]-6-chloro-2-oxopyrazin-1-yl]-N-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)acetamide;2-[3-[[(3S,4R)-1-acetyl-4-phenylpyrrolidin-3-yl]amino]-6-chloro-2-oxopyrazin-1-yl]-N-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)acetamide;2-[6-chloro-3-[3-(cyclobutylamino)propylamino]-2-oxopyrazin-1-yl]-N-[(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]acetamide;2-[6-chloro-3-[3-[cyclobutyl(methyl)amino]propylamino]-2-oxopyrazin-1-yl]-N-[(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]acetamide;2-[6-chloro-3-[[(1R,2R)-2-(cyclopropylmethoxy)cyclopentyl]amino]-2-oxopyrazin-1-yl]-N-[(3-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]acetamide;2-[6-chloro-3-[[(4R)-4-(3,4-difluorophenyl)-1-(2-hydroxy-2-methylpropyl)pyrrolidin-3-yl]amino]-2-oxopyrazin-1-yl]-N-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)acetamide;2-[6-chloro-2-oxo-3-(2-pyridin-3-ylethylamino)pyrazin-1-yl]-N-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)acetamide;N-[(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]-2-[3-[3-(cyclobutylamino)propylamino]-2-oxopyrazin-1-yl]acetamide;2-[6-cyano-3-[[2,2-difluoro-2-(3-methoxyphenyl)ethyl]amino]-2-oxopyrazin-1-yl]-N-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)acetamide;N-[(3-cyano-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]-2-[6-methyl-2-oxo-3-(2-phenylethylamino)pyrazin-1-yl]acetamide?
The canonical SMILES for 2-[3-[[(3S,4R)-1-acetyl-4-(3,4-difluorophenyl)pyrrolidin-3-yl]amino]-6-chloro-2-oxopyrazin-1-yl]-N-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)acetamide;2-[3-[[(3S,4R)-1-acetyl-4-phenylpyrrolidin-3-yl]amino]-6-chloro-2-oxopyrazin-1-yl]-N-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)acetamide;2-[6-chloro-3-[3-(cyclobutylamino)propylamino]-2-oxopyrazin-1-yl]-N-[(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]acetamide;2-[6-chloro-3-[3-[cyclobutyl(methyl)amino]propylamino]-2-oxopyrazin-1-yl]-N-[(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]acetamide;2-[6-chloro-3-[[(1R,2R)-2-(cyclopropylmethoxy)cyclopentyl]amino]-2-oxopyrazin-1-yl]-N-[(3-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]acetamide;2-[6-chloro-3-[[(4R)-4-(3,4-difluorophenyl)-1-(2-hydroxy-2-methylpropyl)pyrrolidin-3-yl]amino]-2-oxopyrazin-1-yl]-N-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)acetamide;2-[6-chloro-2-oxo-3-(2-pyridin-3-ylethylamino)pyrazin-1-yl]-N-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)acetamide;N-[(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]-2-[3-[3-(cyclobutylamino)propylamino]-2-oxopyrazin-1-yl]acetamide;2-[6-cyano-3-[[2,2-difluoro-2-(3-methoxyphenyl)ethyl]amino]-2-oxopyrazin-1-yl]-N-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)acetamide;N-[(3-cyano-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]-2-[6-methyl-2-oxo-3-(2-phenylethylamino)pyrazin-1-yl]acetamide is CC(=O)N1C[C@@H](Nc2ncc(Cl)n(CC(=O)NCc3cnc4[nH]ccc4c3)c2=O)[C@H](c2ccc(F)c(F)c2)C1.CC(=O)N1C[C@@H](Nc2ncc(Cl)n(CC(=O)NCc3cnc4[nH]ccc4c3)c2=O)[C@H](c2ccccc2)C1.CC(C)(O)CN1CC(Nc2ncc(Cl)n(CC(=O)NCc3cnc4[nH]ccc4c3)c2=O)[C@H](c2ccc(F)c(F)c2)C1.CN(CCCNc1ncc(Cl)n(CC(=O)NCc2cnc3[nH]cc(Cl)c3c2)c1=O)C1CCC1.COc1cccc(C(F)(F)CNc2ncc(C#N)n(CC(=O)NCc3cnc4[nH]ccc4c3)c2=O)c1.Cc1cnc(NCCc2ccccc2)c(=O)n1CC(=O)NCc1cnc2[nH]cc(C#N)c2c1.O=C(Cn1c(Cl)cnc(NCCCNC2CCC2)c1=O)NCc1cnc2[nH]cc(Cl)c2c1.O=C(Cn1c(Cl)cnc(NCCc2cccnc2)c1=O)NCc1cnc2[nH]ccc2c1.O=C(Cn1c(Cl)cnc(N[C@@H]2CCC[C@H]2OCC2CC2)c1=O)NCc1cnc2[nH]cc(F)c2c1.O=C(Cn1ccnc(NCCCNC2CCC2)c1=O)NCc1cnc2[nH]cc(Cl)c2c1.
What is the InChIKey of 2-[3-[[(3S,4R)-1-acetyl-4-(3,4-difluorophenyl)pyrrolidin-3-yl]amino]-6-chloro-2-oxopyrazin-1-yl]-N-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)acetamide;2-[3-[[(3S,4R)-1-acetyl-4-phenylpyrrolidin-3-yl]amino]-6-chloro-2-oxopyrazin-1-yl]-N-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)acetamide;2-[6-chloro-3-[3-(cyclobutylamino)propylamino]-2-oxopyrazin-1-yl]-N-[(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]acetamide;2-[6-chloro-3-[3-[cyclobutyl(methyl)amino]propylamino]-2-oxopyrazin-1-yl]-N-[(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]acetamide;2-[6-chloro-3-[[(1R,2R)-2-(cyclopropylmethoxy)cyclopentyl]amino]-2-oxopyrazin-1-yl]-N-[(3-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]acetamide;2-[6-chloro-3-[[(4R)-4-(3,4-difluorophenyl)-1-(2-hydroxy-2-methylpropyl)pyrrolidin-3-yl]amino]-2-oxopyrazin-1-yl]-N-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)acetamide;2-[6-chloro-2-oxo-3-(2-pyridin-3-ylethylamino)pyrazin-1-yl]-N-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)acetamide;N-[(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]-2-[3-[3-(cyclobutylamino)propylamino]-2-oxopyrazin-1-yl]acetamide;2-[6-cyano-3-[[2,2-difluoro-2-(3-methoxyphenyl)ethyl]amino]-2-oxopyrazin-1-yl]-N-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)acetamide;N-[(3-cyano-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]-2-[6-methyl-2-oxo-3-(2-phenylethylamino)pyrazin-1-yl]acetamide?
The InChIKey is NCBBKNJEEGMFOM-SCDFRAQYSA-N. The full InChI is InChI=1S/C28H30ClF2N7O3.C26H24ClF2N7O3.C26H26ClN7O3.C24H21F2N7O3.C24H23N7O2.C23H26ClFN6O3.C22H27Cl2N7O2.C21H25Cl2N7O2.C21H26ClN7O2.C21H20ClN7O2/c1-28(2,41)15-37-12-19(17-3-4-20(30)21(31)8-17)22(13-37)36-26-27(40)38(23(29)11-35-26)14-24(39)33-9-16-7-18-5-6-32-25(18)34-10-16;1-14(37)35-11-18(16-2-3-19(28)20(29)7-16)21(12-35)34-25-26(39)36(22(27)10-33-25)13-23(38)31-8-15-6-17-4-5-30-24(17)32-9-15;1-16(35)33-13-20(18-5-3-2-4-6-18)21(14-33)32-25-26(37)34(22(27)12-31-25)15-23(36)29-10-17-9-19-7-8-28-24(19)30-11-17;1-36-19-4-2-3-17(8-19)24(25,26)14-32-22-23(35)33(18(9-27)12-31-22)13-20(34)29-10-15-7-16-5-6-28-21(16)30-11-15;1-16-11-28-23(26-8-7-17-5-3-2-4-6-17)24(33)31(16)15-21(32)27-12-18-9-20-19(10-25)14-30-22(20)29-13-18;24-19-10-29-22(30-17-2-1-3-18(17)34-12-13-4-5-13)23(33)31(19)11-20(32)26-7-14-6-15-16(25)9-28-21(15)27-8-14;1-30(15-4-2-5-15)7-3-6-25-21-22(33)31(18(24)12-29-21)13-19(32)26-9-14-8-16-17(23)11-28-20(16)27-10-14;22-16-10-28-19-15(16)7-13(9-27-19)8-26-18(31)12-30-17(23)11-29-20(21(30)32)25-6-2-5-24-14-3-1-4-14;22-17-12-28-19-16(17)9-14(11-27-19)10-26-18(30)13-29-8-7-25-20(21(29)31)24-6-2-5-23-15-3-1-4-15;22-17-12-28-20(25-6-3-14-2-1-5-23-9-14)21(31)29(17)13-18(30)26-10-15-8-16-4-7-24-19(16)27-11-15/h3-8,10-11,19,22,41H,9,12-15H2,1-2H3,(H,32,34)(H,33,39)(H,35,36);2-7,9-10,18,21H,8,11-13H2,1H3,(H,30,32)(H,31,38)(H,33,34);2-9,11-12,20-21H,10,13-15H2,1H3,(H,28,30)(H,29,36)(H,31,32);2-8,11-12H,10,13-14H2,1H3,(H,28,30)(H,29,34)(H,31,32);2-6,9,11,13-14H,7-8,12,15H2,1H3,(H,26,28)(H,27,32)(H,29,30);6,8-10,13,17-18H,1-5,7,11-12H2,(H,26,32)(H,27,28)(H,29,30);8,10-12,15H,2-7,9,13H2,1H3,(H,25,29)(H,26,32)(H,27,28);7,9-11,14,24H,1-6,8,12H2,(H,25,29)(H,26,31)(H,27,28);7-9,11-12,15,23H,1-6,10,13H2,(H,24,25)(H,26,30)(H,27,28);1-2,4-5,7-9,11-12H,3,6,10,13H2,(H,24,27)(H,25,28)(H,26,30)/t19-,22?;18-,21+;20-,21+;;;17-,18-;;;;/m000..1..../s1.
What are the key properties of 2-[3-[[(3S,4R)-1-acetyl-4-(3,4-difluorophenyl)pyrrolidin-3-yl]amino]-6-chloro-2-oxopyrazin-1-yl]-N-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)acetamide;2-[3-[[(3S,4R)-1-acetyl-4-phenylpyrrolidin-3-yl]amino]-6-chloro-2-oxopyrazin-1-yl]-N-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)acetamide;2-[6-chloro-3-[3-(cyclobutylamino)propylamino]-2-oxopyrazin-1-yl]-N-[(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]acetamide;2-[6-chloro-3-[3-[cyclobutyl(methyl)amino]propylamino]-2-oxopyrazin-1-yl]-N-[(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]acetamide;2-[6-chloro-3-[[(1R,2R)-2-(cyclopropylmethoxy)cyclopentyl]amino]-2-oxopyrazin-1-yl]-N-[(3-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]acetamide;2-[6-chloro-3-[[(4R)-4-(3,4-difluorophenyl)-1-(2-hydroxy-2-methylpropyl)pyrrolidin-3-yl]amino]-2-oxopyrazin-1-yl]-N-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)acetamide;2-[6-chloro-2-oxo-3-(2-pyridin-3-ylethylamino)pyrazin-1-yl]-N-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)acetamide;N-[(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]-2-[3-[3-(cyclobutylamino)propylamino]-2-oxopyrazin-1-yl]acetamide;2-[6-cyano-3-[[2,2-difluoro-2-(3-methoxyphenyl)ethyl]amino]-2-oxopyrazin-1-yl]-N-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)acetamide;N-[(3-cyano-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]-2-[6-methyl-2-oxo-3-(2-phenylethylamino)pyrazin-1-yl]acetamide?
2-[3-[[(3S,4R)-1-acetyl-4-(3,4-difluorophenyl)pyrrolidin-3-yl]amino]-6-chloro-2-oxopyrazin-1-yl]-N-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)acetamide;2-[3-[[(3S,4R)-1-acetyl-4-phenylpyrrolidin-3-yl]amino]-6-chloro-2-oxopyrazin-1-yl]-N-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)acetamide;2-[6-chloro-3-[3-(cyclobutylamino)propylamino]-2-oxopyrazin-1-yl]-N-[(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]acetamide;2-[6-chloro-3-[3-[cyclobutyl(methyl)amino]propylamino]-2-oxopyrazin-1-yl]-N-[(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]acetamide;2-[6-chloro-3-[[(1R,2R)-2-(cyclopropylmethoxy)cyclopentyl]amino]-2-oxopyrazin-1-yl]-N-[(3-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]acetamide;2-[6-chloro-3-[[(4R)-4-(3,4-difluorophenyl)-1-(2-hydroxy-2-methylpropyl)pyrrolidin-3-yl]amino]-2-oxopyrazin-1-yl]-N-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)acetamide;2-[6-chloro-2-oxo-3-(2-pyridin-3-ylethylamino)pyrazin-1-yl]-N-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)acetamide;N-[(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]-2-[3-[3-(cyclobutylamino)propylamino]-2-oxopyrazin-1-yl]acetamide;2-[6-cyano-3-[[2,2-difluoro-2-(3-methoxyphenyl)ethyl]amino]-2-oxopyrazin-1-yl]-N-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)acetamide;N-[(3-cyano-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]-2-[6-methyl-2-oxo-3-(2-phenylethylamino)pyrazin-1-yl]acetamide has a molecular weight of 4938.55 g/mol, XLogP of 26.00, 87 rotatable bonds, 33 hydrogen bond donors, and 72 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[(3S,4R)-1-acetyl-4-(3,4-difluorophenyl)pyrrolidin-3-yl]amino]-6-chloro-2-oxopyrazin-1-yl]-N-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)acetamide;2-[3-[[(3S,4R)-1-acetyl-4-phenylpyrrolidin-3-yl]amino]-6-chloro-2-oxopyrazin-1-yl]-N-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)acetamide;2-[6-chloro-3-[3-(cyclobutylamino)propylamino]-2-oxopyrazin-1-yl]-N-[(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]acetamide;2-[6-chloro-3-[3-[cyclobutyl(methyl)amino]propylamino]-2-oxopyrazin-1-yl]-N-[(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]acetamide;2-[6-chloro-3-[[(1R,2R)-2-(cyclopropylmethoxy)cyclopentyl]amino]-2-oxopyrazin-1-yl]-N-[(3-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]acetamide;2-[6-chloro-3-[[(4R)-4-(3,4-difluorophenyl)-1-(2-hydroxy-2-methylpropyl)pyrrolidin-3-yl]amino]-2-oxopyrazin-1-yl]-N-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)acetamide;2-[6-chloro-2-oxo-3-(2-pyridin-3-ylethylamino)pyrazin-1-yl]-N-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)acetamide;N-[(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]-2-[3-[3-(cyclobutylamino)propylamino]-2-oxopyrazin-1-yl]acetamide;2-[6-cyano-3-[[2,2-difluoro-2-(3-methoxyphenyl)ethyl]amino]-2-oxopyrazin-1-yl]-N-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)acetamide;N-[(3-cyano-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]-2-[6-methyl-2-oxo-3-(2-phenylethylamino)pyrazin-1-yl]acetamide is sourced from PubChem (CID 159737802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).