4-[[(3R)-4-cyclopentyl-1,3-dimethyl-2-oxo-3H-pyrido[2,3-b]pyrazin-6-yl]amino]-N-[3-[2-[2-[3-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]propoxy]ethoxy]ethoxy]propyl]-3-methoxybenzamide;4-[[(3R)-4-cyclopentyl-1,3-dimethyl-2-oxo-3H-pyrido[2,3-b]pyrazin-6-yl]amino]-3-methoxy-N-[8-[[2-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]octyl]benzamide;4-[7-[4-[4-[[4-[3-(2,2-dimethylpropylsulfonyl)anilino]-5-methylpyrimidin-2-yl]amino]phenyl]piperazin-1-yl]-2,7-dioxoheptoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;N-[9-[4-[4-[[4-[3-(2,2-dimethylpropylsulfonyl)anilino]-5-methylpyrimidin-2-yl]amino]phenyl]piperazin-1-yl]-6,9-dioxononyl]-2-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetamide;4-[6-[2-[2-[8-[4-[4-[[4-[3-(2,2-dimethylpropylsulfonyl)anilino]-5-methylpyrimidin-2-yl]amino]phenyl]piperazin-1-yl]-5,8-dioxooctoxy]ethoxy]ethoxy]-2-oxohexoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;N-[13-[4-[4-[[4-[3-(2,2-dimethylpropylsulfonyl)anilino]-5-methylpyrimidin-2-yl]amino]phenyl]piperazin-1-yl]-10,13-dioxotridecyl]-2-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetamide

C304H372N50O58S4 — CID 159592950

IUPAC4-[[(3R)-4-cyclopentyl-1,3-dimethyl-2-oxo-3H-pyrido[2,3-b]pyrazin-6-yl]amino]-N-[3-[2-[2-[3-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]propoxy]ethoxy]ethoxy]propyl]-3-methoxybenzamide;4-[[(3R)-4-cyclopentyl-1,3-dimethyl-2-oxo-3H-pyrido[2,3-b]pyrazin-6-yl]amino]-3-methoxy-N-[8-[[2-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]octyl]benzamide;4-[7-[4-[4-[[4-[3-(2,2-dimethylpropylsulfonyl)anilino]-5-methylpyrimidin-2-yl]amino]phenyl]piperazin-1-yl]-2,7-dioxoheptoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;N-[9-[4-[4-[[4-[3-(2,2-dimethylpropylsulfonyl)anilino]-5-methylpyrimidin-2-yl]amino]phenyl]piperazin-1-yl]-6,9-dioxononyl]-2-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetamide;4-[6-[2-[2-[8-[4-[4-[[4-[3-(2,2-dimethylpropylsulfonyl)anilino]-5-methylpyrimidin-2-yl]amino]phenyl]piperazin-1-yl]-5,8-dioxooctoxy]ethoxy]ethoxy]-2-oxohexoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;N-[13-[4-[4-[[4-[3-(2,2-dimethylpropylsulfonyl)anilino]-5-methylpyrimidin-2-yl]amino]phenyl]piperazin-1-yl]-10,13-dioxotridecyl]-2-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetamide
SMILESC=C1CCC(N2C(=O)c3cccc(OCC(=O)CCCCC(=O)N4CCN(c5ccc(Nc6ncc(C)c(Nc7cccc(S(=O)(=O)CC(C)(C)C)c7)n6)cc5)CC4)c3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3cccc(OCC(=O)CCCCOCCOCCOCCCCC(=O)CCC(=O)N4CCN(c5ccc(Nc6ncc(C)c(Nc7cccc(S(=O)(=O)CC(C)(C)C)c7)n6)cc5)CC4)c3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3cccc(OCC(=O)NCCCCCC(=O)CCC(=O)N4CCN(c5ccc(Nc6ncc(C)c(Nc7cccc(S(=O)(=O)CC(C)(C)C)c7)n6)cc5)CC4)c3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3cccc(OCC(=O)NCCCCCCCCCC(=O)CCC(=O)N4CCN(c5ccc(Nc6ncc(C)c(Nc7cccc(S(=O)(=O)CC(C)(C)C)c7)n6)cc5)CC4)c3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3cccc(OCC(=O)NCCCCCCCCNC(=O)c4ccc(Nc5ccc6c(n5)N(C5CCCC5)[C@H](C)C(=O)N6C)c(OC)c4)c3C2=O)C(=O)N1.COc1cc(C(=O)NCCCOCCOCCOCCCNC(=O)COc2cccc3c2C(=O)N(C2CCC(=O)NC2=O)C3=O)ccc1Nc1ccc2c(n1)N(C1CCCC1)[C@H](C)C(=O)N2C
InChIInChI=1S/C58H74N8O12S.C55H69N9O9S.C51H61N9O9S.C47H58N8O12.C47H54N8O8S.C46H56N8O8/c1-40-37-59-57(63-53(40)61-43-12-10-15-47(36-43)79(73,74)39-58(3,4)5)62-42-19-21-44(22-20-42)64-26-28-65(29-27-64)51(69)25-23-45(67)13-6-8-30-75-32-34-77-35-33-76-31-9-7-14-46(68)38-78-50-17-11-16-48-52(50)56(72)66(55(48)71)49-24-18-41(2)60-54(49)70;1-37-34-57-54(61-50(37)59-40-15-13-17-43(33-40)74(71,72)36-55(3,4)5)60-39-21-23-41(24-22-39)62-29-31-63(32-30-62)48(67)27-25-42(65)16-11-9-7-6-8-10-12-28-56-47(66)35-73-46-19-14-18-44-49(46)53(70)64(52(44)69)45-26-20-38(2)58-51(45)68;1-33-30-53-50(57-46(33)55-36-11-9-13-39(29-36)70(67,68)32-51(3,4)5)56-35-17-19-37(20-18-35)58-25-27-59(28-26-58)44(63)23-21-38(61)12-7-6-8-24-52-43(62)31-69-42-15-10-14-40-45(42)49(66)60(48(40)65)41-22-16-34(2)54-47(41)64;1-29-45(60)53(2)34-15-17-38(51-42(34)54(29)31-9-4-5-10-31)50-33-14-13-30(27-37(33)63-3)43(58)49-20-8-22-65-24-26-66-25-23-64-21-7-19-48-40(57)28-67-36-12-6-11-32-41(36)47(62)55(46(32)61)35-16-18-39(56)52-44(35)59;1-30-27-48-46(52-42(30)50-33-10-8-12-36(26-33)64(61,62)29-47(3,4)5)51-32-17-19-34(20-18-32)53-22-24-54(25-23-53)40(57)15-7-6-11-35(56)28-63-39-14-9-13-37-41(39)45(60)55(44(37)59)38-21-16-31(2)49-43(38)58;1-28-18-21-35(43(57)49-28)54-45(59)32-16-13-17-36(40(32)46(54)60)62-27-39(55)47-24-11-7-5-6-8-12-25-48-42(56)30-19-20-33(37(26-30)61-4)50-38-23-22-34-41(51-38)53(31-14-9-10-15-31)29(2)44(58)52(34)3/h10-12,15-17,19-22,36-37,49H,2,6-9,13-14,18,23-35,38-39H2,1,3-5H3,(H,60,70)(H2,59,61,62,63);13-15,17-19,21-24,33-34,45H,2,6-12,16,20,25-32,35-36H2,1,3-5H3,(H,56,66)(H,58,68)(H2,57,59,60,61);9-11,13-15,17-20,29-30,41H,2,6-8,12,16,21-28,31-32H2,1,3-5H3,(H,52,62)(H,54,64)(H2,53,55,56,57);6,11-15,17,27,29,31,35H,4-5,7-10,16,18-26,28H2,1-3H3,(H,48,57)(H,49,58)(H,50,51)(H,52,56,59);8-10,12-14,17-20,26-27,38H,2,6-7,11,15-16,21-25,28-29H2,1,3-5H3,(H,49,58)(H2,48,50,51,52);13,16-17,19-20,22-23,26,29,31,35H,1,5-12,14-15,18,21,24-25,27H2,2-4H3,(H,47,55)(H,48,56)(H,49,57)(H,50,51)/t;;;29-,35?;;29-,35?/m...1.1/s1
InChIKeyMKLWPULVKFAYQI-AMPJZWACSA-N
MW5782.88 g/mol
LogP36.59
Rot. Bonds131

About 4-[[(3R)-4-cyclopentyl-1,3-dimethyl-2-oxo-3H-pyrido[2,3-b]pyrazin-6-yl]amino]-N-[3-[2-[2-[3-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]propoxy]ethoxy]ethoxy]propyl]-3-methoxybenzamide;4-[[(3R)-4-cyclopentyl-1,3-dimethyl-2-oxo-3H-pyrido[2,3-b]pyrazin-6-yl]amino]-3-methoxy-N-[8-[[2-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]octyl]benzamide;4-[7-[4-[4-[[4-[3-(2,2-dimethylpropylsulfonyl)anilino]-5-methylpyrimidin-2-yl]amino]phenyl]piperazin-1-yl]-2,7-dioxoheptoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;N-[9-[4-[4-[[4-[3-(2,2-dimethylpropylsulfonyl)anilino]-5-methylpyrimidin-2-yl]amino]phenyl]piperazin-1-yl]-6,9-dioxononyl]-2-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetamide;4-[6-[2-[2-[8-[4-[4-[[4-[3-(2,2-dimethylpropylsulfonyl)anilino]-5-methylpyrimidin-2-yl]amino]phenyl]piperazin-1-yl]-5,8-dioxooctoxy]ethoxy]ethoxy]-2-oxohexoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;N-[13-[4-[4-[[4-[3-(2,2-dimethylpropylsulfonyl)anilino]-5-methylpyrimidin-2-yl]amino]phenyl]piperazin-1-yl]-10,13-dioxotridecyl]-2-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetamide

4-[[(3R)-4-cyclopentyl-1,3-dimethyl-2-oxo-3H-pyrido[2,3-b]pyrazin-6-yl]amino]-N-[3-[2-[2-[3-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]propoxy]ethoxy]ethoxy]propyl]-3-methoxybenzamide;4-[[(3R)-4-cyclopentyl-1,3-dimethyl-2-oxo-3H-pyrido[2,3-b]pyrazin-6-yl]amino]-3-methoxy-N-[8-[[2-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]octyl]benzamide;4-[7-[4-[4-[[4-[3-(2,2-dimethylpropylsulfonyl)anilino]-5-methylpyrimidin-2-yl]amino]phenyl]piperazin-1-yl]-2,7-dioxoheptoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;N-[9-[4-[4-[[4-[3-(2,2-dimethylpropylsulfonyl)anilino]-5-methylpyrimidin-2-yl]amino]phenyl]piperazin-1-yl]-6,9-dioxononyl]-2-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetamide;4-[6-[2-[2-[8-[4-[4-[[4-[3-(2,2-dimethylpropylsulfonyl)anilino]-5-methylpyrimidin-2-yl]amino]phenyl]piperazin-1-yl]-5,8-dioxooctoxy]ethoxy]ethoxy]-2-oxohexoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;N-[13-[4-[4-[[4-[3-(2,2-dimethylpropylsulfonyl)anilino]-5-methylpyrimidin-2-yl]amino]phenyl]piperazin-1-yl]-10,13-dioxotridecyl]-2-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetamide (PubChem CID 159592950) has the molecular formula C304H372N50O58S4 and a molecular weight of 5782.88 g/mol. Its IUPAC name is 4-[[(3R)-4-cyclopentyl-1,3-dimethyl-2-oxo-3H-pyrido[2,3-b]pyrazin-6-yl]amino]-N-[3-[2-[2-[3-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]propoxy]ethoxy]ethoxy]propyl]-3-methoxybenzamide;4-[[(3R)-4-cyclopentyl-1,3-dimethyl-2-oxo-3H-pyrido[2,3-b]pyrazin-6-yl]amino]-3-methoxy-N-[8-[[2-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]octyl]benzamide;4-[7-[4-[4-[[4-[3-(2,2-dimethylpropylsulfonyl)anilino]-5-methylpyrimidin-2-yl]amino]phenyl]piperazin-1-yl]-2,7-dioxoheptoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;N-[9-[4-[4-[[4-[3-(2,2-dimethylpropylsulfonyl)anilino]-5-methylpyrimidin-2-yl]amino]phenyl]piperazin-1-yl]-6,9-dioxononyl]-2-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetamide;4-[6-[2-[2-[8-[4-[4-[[4-[3-(2,2-dimethylpropylsulfonyl)anilino]-5-methylpyrimidin-2-yl]amino]phenyl]piperazin-1-yl]-5,8-dioxooctoxy]ethoxy]ethoxy]-2-oxohexoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;N-[13-[4-[4-[[4-[3-(2,2-dimethylpropylsulfonyl)anilino]-5-methylpyrimidin-2-yl]amino]phenyl]piperazin-1-yl]-10,13-dioxotridecyl]-2-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetamide.

Molecular Properties

Compound Name4-[[(3R)-4-cyclopentyl-1,3-dimethyl-2-oxo-3H-pyrido[2,3-b]pyrazin-6-yl]amino]-N-[3-[2-[2-[3-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]propoxy]ethoxy]ethoxy]propyl]-3-methoxybenzamide;4-[[(3R)-4-cyclopentyl-1,3-dimethyl-2-oxo-3H-pyrido[2,3-b]pyrazin-6-yl]amino]-3-methoxy-N-[8-[[2-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]octyl]benzamide;4-[7-[4-[4-[[4-[3-(2,2-dimethylpropylsulfonyl)anilino]-5-methylpyrimidin-2-yl]amino]phenyl]piperazin-1-yl]-2,7-dioxoheptoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;N-[9-[4-[4-[[4-[3-(2,2-dimethylpropylsulfonyl)anilino]-5-methylpyrimidin-2-yl]amino]phenyl]piperazin-1-yl]-6,9-dioxononyl]-2-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetamide;4-[6-[2-[2-[8-[4-[4-[[4-[3-(2,2-dimethylpropylsulfonyl)anilino]-5-methylpyrimidin-2-yl]amino]phenyl]piperazin-1-yl]-5,8-dioxooctoxy]ethoxy]ethoxy]-2-oxohexoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;N-[13-[4-[4-[[4-[3-(2,2-dimethylpropylsulfonyl)anilino]-5-methylpyrimidin-2-yl]amino]phenyl]piperazin-1-yl]-10,13-dioxotridecyl]-2-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetamide
PubChem CID159592950
Molecular FormulaC304H372N50O58S4
Molecular Weight5782.88 g/mol
Exact Mass5778.66
IUPAC Name4-[[(3R)-4-cyclopentyl-1,3-dimethyl-2-oxo-3H-pyrido[2,3-b]pyrazin-6-yl]amino]-N-[3-[2-[2-[3-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]propoxy]ethoxy]ethoxy]propyl]-3-methoxybenzamide;4-[[(3R)-4-cyclopentyl-1,3-dimethyl-2-oxo-3H-pyrido[2,3-b]pyrazin-6-yl]amino]-3-methoxy-N-[8-[[2-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]octyl]benzamide;4-[7-[4-[4-[[4-[3-(2,2-dimethylpropylsulfonyl)anilino]-5-methylpyrimidin-2-yl]amino]phenyl]piperazin-1-yl]-2,7-dioxoheptoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;N-[9-[4-[4-[[4-[3-(2,2-dimethylpropylsulfonyl)anilino]-5-methylpyrimidin-2-yl]amino]phenyl]piperazin-1-yl]-6,9-dioxononyl]-2-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetamide;4-[6-[2-[2-[8-[4-[4-[[4-[3-(2,2-dimethylpropylsulfonyl)anilino]-5-methylpyrimidin-2-yl]amino]phenyl]piperazin-1-yl]-5,8-dioxooctoxy]ethoxy]ethoxy]-2-oxohexoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;N-[13-[4-[4-[[4-[3-(2,2-dimethylpropylsulfonyl)anilino]-5-methylpyrimidin-2-yl]amino]phenyl]piperazin-1-yl]-10,13-dioxotridecyl]-2-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetamide
SMILESC=C1CCC(N2C(=O)c3cccc(OCC(=O)CCCCC(=O)N4CCN(c5ccc(Nc6ncc(C)c(Nc7cccc(S(=O)(=O)CC(C)(C)C)c7)n6)cc5)CC4)c3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3cccc(OCC(=O)CCCCOCCOCCOCCCCC(=O)CCC(=O)N4CCN(c5ccc(Nc6ncc(C)c(Nc7cccc(S(=O)(=O)CC(C)(C)C)c7)n6)cc5)CC4)c3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3cccc(OCC(=O)NCCCCCC(=O)CCC(=O)N4CCN(c5ccc(Nc6ncc(C)c(Nc7cccc(S(=O)(=O)CC(C)(C)C)c7)n6)cc5)CC4)c3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3cccc(OCC(=O)NCCCCCCCCCC(=O)CCC(=O)N4CCN(c5ccc(Nc6ncc(C)c(Nc7cccc(S(=O)(=O)CC(C)(C)C)c7)n6)cc5)CC4)c3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3cccc(OCC(=O)NCCCCCCCCNC(=O)c4ccc(Nc5ccc6c(n5)N(C5CCCC5)[C@H](C)C(=O)N6C)c(OC)c4)c3C2=O)C(=O)N1.COc1cc(C(=O)NCCCOCCOCCOCCCNC(=O)COc2cccc3c2C(=O)N(C2CCC(=O)NC2=O)C3=O)ccc1Nc1ccc2c(n1)N(C1CCCC1)[C@H](C)C(=O)N2C
InChIInChI=1S/C58H74N8O12S.C55H69N9O9S.C51H61N9O9S.C47H58N8O12.C47H54N8O8S.C46H56N8O8/c1-40-37-59-57(63-53(40)61-43-12-10-15-47(36-43)79(73,74)39-58(3,4)5)62-42-19-21-44(22-20-42)64-26-28-65(29-27-64)51(69)25-23-45(67)13-6-8-30-75-32-34-77-35-33-76-31-9-7-14-46(68)38-78-50-17-11-16-48-52(50)56(72)66(55(48)71)49-24-18-41(2)60-54(49)70;1-37-34-57-54(61-50(37)59-40-15-13-17-43(33-40)74(71,72)36-55(3,4)5)60-39-21-23-41(24-22-39)62-29-31-63(32-30-62)48(67)27-25-42(65)16-11-9-7-6-8-10-12-28-56-47(66)35-73-46-19-14-18-44-49(46)53(70)64(52(44)69)45-26-20-38(2)58-51(45)68;1-33-30-53-50(57-46(33)55-36-11-9-13-39(29-36)70(67,68)32-51(3,4)5)56-35-17-19-37(20-18-35)58-25-27-59(28-26-58)44(63)23-21-38(61)12-7-6-8-24-52-43(62)31-69-42-15-10-14-40-45(42)49(66)60(48(40)65)41-22-16-34(2)54-47(41)64;1-29-45(60)53(2)34-15-17-38(51-42(34)54(29)31-9-4-5-10-31)50-33-14-13-30(27-37(33)63-3)43(58)49-20-8-22-65-24-26-66-25-23-64-21-7-19-48-40(57)28-67-36-12-6-11-32-41(36)47(62)55(46(32)61)35-16-18-39(56)52-44(35)59;1-30-27-48-46(52-42(30)50-33-10-8-12-36(26-33)64(61,62)29-47(3,4)5)51-32-17-19-34(20-18-32)53-22-24-54(25-23-53)40(57)15-7-6-11-35(56)28-63-39-14-9-13-37-41(39)45(60)55(44(37)59)38-21-16-31(2)49-43(38)58;1-28-18-21-35(43(57)49-28)54-45(59)32-16-13-17-36(40(32)46(54)60)62-27-39(55)47-24-11-7-5-6-8-12-25-48-42(56)30-19-20-33(37(26-30)61-4)50-38-23-22-34-41(51-38)53(31-14-9-10-15-31)29(2)44(58)52(34)3/h10-12,15-17,19-22,36-37,49H,2,6-9,13-14,18,23-35,38-39H2,1,3-5H3,(H,60,70)(H2,59,61,62,63);13-15,17-19,21-24,33-34,45H,2,6-12,16,20,25-32,35-36H2,1,3-5H3,(H,56,66)(H,58,68)(H2,57,59,60,61);9-11,13-15,17-20,29-30,41H,2,6-8,12,16,21-28,31-32H2,1,3-5H3,(H,52,62)(H,54,64)(H2,53,55,56,57);6,11-15,17,27,29,31,35H,4-5,7-10,16,18-26,28H2,1-3H3,(H,48,57)(H,49,58)(H,50,51)(H,52,56,59);8-10,12-14,17-20,26-27,38H,2,6-7,11,15-16,21-25,28-29H2,1,3-5H3,(H,49,58)(H2,48,50,51,52);13,16-17,19-20,22-23,26,29,31,35H,1,5-12,14-15,18,21,24-25,27H2,2-4H3,(H,47,55)(H,48,56)(H,49,57)(H,50,51)/t;;;29-,35?;;29-,35?/m...1.1/s1
InChIKeyMKLWPULVKFAYQI-AMPJZWACSA-N
XLogP36.59
TPSA1332.18 Ų
H-Bond Donors22
H-Bond Acceptors84
Rotatable Bonds131
Heavy Atoms416
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5005782.88
LogP ≤ 536.59
H-Bond Donors ≤ 522
H-Bond Acceptors ≤ 1084

Analyze 4-[[(3R)-4-cyclopentyl-1,3-dimethyl-2-oxo-3H-pyrido[2,3-b]pyrazin-6-yl]amino]-N-[3-[2-[2-[3-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]propoxy]ethoxy]ethoxy]propyl]-3-methoxybenzamide;4-[[(3R)-4-cyclopentyl-1,3-dimethyl-2-oxo-3H-pyrido[2,3-b]pyrazin-6-yl]amino]-3-methoxy-N-[8-[[2-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]octyl]benzamide;4-[7-[4-[4-[[4-[3-(2,2-dimethylpropylsulfonyl)anilino]-5-methylpyrimidin-2-yl]amino]phenyl]piperazin-1-yl]-2,7-dioxoheptoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;N-[9-[4-[4-[[4-[3-(2,2-dimethylpropylsulfonyl)anilino]-5-methylpyrimidin-2-yl]amino]phenyl]piperazin-1-yl]-6,9-dioxononyl]-2-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetamide;4-[6-[2-[2-[8-[4-[4-[[4-[3-(2,2-dimethylpropylsulfonyl)anilino]-5-methylpyrimidin-2-yl]amino]phenyl]piperazin-1-yl]-5,8-dioxooctoxy]ethoxy]ethoxy]-2-oxohexoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;N-[13-[4-[4-[[4-[3-(2,2-dimethylpropylsulfonyl)anilino]-5-methylpyrimidin-2-yl]amino]phenyl]piperazin-1-yl]-10,13-dioxotridecyl]-2-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[[(3R)-4-cyclopentyl-1,3-dimethyl-2-oxo-3H-pyrido[2,3-b]pyrazin-6-yl]amino]-N-[3-[2-[2-[3-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]propoxy]ethoxy]ethoxy]propyl]-3-methoxybenzamide;4-[[(3R)-4-cyclopentyl-1,3-dimethyl-2-oxo-3H-pyrido[2,3-b]pyrazin-6-yl]amino]-3-methoxy-N-[8-[[2-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]octyl]benzamide;4-[7-[4-[4-[[4-[3-(2,2-dimethylpropylsulfonyl)anilino]-5-methylpyrimidin-2-yl]amino]phenyl]piperazin-1-yl]-2,7-dioxoheptoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;N-[9-[4-[4-[[4-[3-(2,2-dimethylpropylsulfonyl)anilino]-5-methylpyrimidin-2-yl]amino]phenyl]piperazin-1-yl]-6,9-dioxononyl]-2-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetamide;4-[6-[2-[2-[8-[4-[4-[[4-[3-(2,2-dimethylpropylsulfonyl)anilino]-5-methylpyrimidin-2-yl]amino]phenyl]piperazin-1-yl]-5,8-dioxooctoxy]ethoxy]ethoxy]-2-oxohexoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;N-[13-[4-[4-[[4-[3-(2,2-dimethylpropylsulfonyl)anilino]-5-methylpyrimidin-2-yl]amino]phenyl]piperazin-1-yl]-10,13-dioxotridecyl]-2-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetamide?
The IUPAC name of 4-[[(3R)-4-cyclopentyl-1,3-dimethyl-2-oxo-3H-pyrido[2,3-b]pyrazin-6-yl]amino]-N-[3-[2-[2-[3-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]propoxy]ethoxy]ethoxy]propyl]-3-methoxybenzamide;4-[[(3R)-4-cyclopentyl-1,3-dimethyl-2-oxo-3H-pyrido[2,3-b]pyrazin-6-yl]amino]-3-methoxy-N-[8-[[2-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]octyl]benzamide;4-[7-[4-[4-[[4-[3-(2,2-dimethylpropylsulfonyl)anilino]-5-methylpyrimidin-2-yl]amino]phenyl]piperazin-1-yl]-2,7-dioxoheptoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;N-[9-[4-[4-[[4-[3-(2,2-dimethylpropylsulfonyl)anilino]-5-methylpyrimidin-2-yl]amino]phenyl]piperazin-1-yl]-6,9-dioxononyl]-2-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetamide;4-[6-[2-[2-[8-[4-[4-[[4-[3-(2,2-dimethylpropylsulfonyl)anilino]-5-methylpyrimidin-2-yl]amino]phenyl]piperazin-1-yl]-5,8-dioxooctoxy]ethoxy]ethoxy]-2-oxohexoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;N-[13-[4-[4-[[4-[3-(2,2-dimethylpropylsulfonyl)anilino]-5-methylpyrimidin-2-yl]amino]phenyl]piperazin-1-yl]-10,13-dioxotridecyl]-2-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetamide (CID 159592950) is 4-[[(3R)-4-cyclopentyl-1,3-dimethyl-2-oxo-3H-pyrido[2,3-b]pyrazin-6-yl]amino]-N-[3-[2-[2-[3-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]propoxy]ethoxy]ethoxy]propyl]-3-methoxybenzamide;4-[[(3R)-4-cyclopentyl-1,3-dimethyl-2-oxo-3H-pyrido[2,3-b]pyrazin-6-yl]amino]-3-methoxy-N-[8-[[2-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]octyl]benzamide;4-[7-[4-[4-[[4-[3-(2,2-dimethylpropylsulfonyl)anilino]-5-methylpyrimidin-2-yl]amino]phenyl]piperazin-1-yl]-2,7-dioxoheptoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;N-[9-[4-[4-[[4-[3-(2,2-dimethylpropylsulfonyl)anilino]-5-methylpyrimidin-2-yl]amino]phenyl]piperazin-1-yl]-6,9-dioxononyl]-2-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetamide;4-[6-[2-[2-[8-[4-[4-[[4-[3-(2,2-dimethylpropylsulfonyl)anilino]-5-methylpyrimidin-2-yl]amino]phenyl]piperazin-1-yl]-5,8-dioxooctoxy]ethoxy]ethoxy]-2-oxohexoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;N-[13-[4-[4-[[4-[3-(2,2-dimethylpropylsulfonyl)anilino]-5-methylpyrimidin-2-yl]amino]phenyl]piperazin-1-yl]-10,13-dioxotridecyl]-2-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetamide.
What is the SMILES notation for 4-[[(3R)-4-cyclopentyl-1,3-dimethyl-2-oxo-3H-pyrido[2,3-b]pyrazin-6-yl]amino]-N-[3-[2-[2-[3-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]propoxy]ethoxy]ethoxy]propyl]-3-methoxybenzamide;4-[[(3R)-4-cyclopentyl-1,3-dimethyl-2-oxo-3H-pyrido[2,3-b]pyrazin-6-yl]amino]-3-methoxy-N-[8-[[2-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]octyl]benzamide;4-[7-[4-[4-[[4-[3-(2,2-dimethylpropylsulfonyl)anilino]-5-methylpyrimidin-2-yl]amino]phenyl]piperazin-1-yl]-2,7-dioxoheptoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;N-[9-[4-[4-[[4-[3-(2,2-dimethylpropylsulfonyl)anilino]-5-methylpyrimidin-2-yl]amino]phenyl]piperazin-1-yl]-6,9-dioxononyl]-2-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetamide;4-[6-[2-[2-[8-[4-[4-[[4-[3-(2,2-dimethylpropylsulfonyl)anilino]-5-methylpyrimidin-2-yl]amino]phenyl]piperazin-1-yl]-5,8-dioxooctoxy]ethoxy]ethoxy]-2-oxohexoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;N-[13-[4-[4-[[4-[3-(2,2-dimethylpropylsulfonyl)anilino]-5-methylpyrimidin-2-yl]amino]phenyl]piperazin-1-yl]-10,13-dioxotridecyl]-2-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetamide?
The canonical SMILES for 4-[[(3R)-4-cyclopentyl-1,3-dimethyl-2-oxo-3H-pyrido[2,3-b]pyrazin-6-yl]amino]-N-[3-[2-[2-[3-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]propoxy]ethoxy]ethoxy]propyl]-3-methoxybenzamide;4-[[(3R)-4-cyclopentyl-1,3-dimethyl-2-oxo-3H-pyrido[2,3-b]pyrazin-6-yl]amino]-3-methoxy-N-[8-[[2-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]octyl]benzamide;4-[7-[4-[4-[[4-[3-(2,2-dimethylpropylsulfonyl)anilino]-5-methylpyrimidin-2-yl]amino]phenyl]piperazin-1-yl]-2,7-dioxoheptoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;N-[9-[4-[4-[[4-[3-(2,2-dimethylpropylsulfonyl)anilino]-5-methylpyrimidin-2-yl]amino]phenyl]piperazin-1-yl]-6,9-dioxononyl]-2-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetamide;4-[6-[2-[2-[8-[4-[4-[[4-[3-(2,2-dimethylpropylsulfonyl)anilino]-5-methylpyrimidin-2-yl]amino]phenyl]piperazin-1-yl]-5,8-dioxooctoxy]ethoxy]ethoxy]-2-oxohexoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;N-[13-[4-[4-[[4-[3-(2,2-dimethylpropylsulfonyl)anilino]-5-methylpyrimidin-2-yl]amino]phenyl]piperazin-1-yl]-10,13-dioxotridecyl]-2-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetamide is C=C1CCC(N2C(=O)c3cccc(OCC(=O)CCCCC(=O)N4CCN(c5ccc(Nc6ncc(C)c(Nc7cccc(S(=O)(=O)CC(C)(C)C)c7)n6)cc5)CC4)c3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3cccc(OCC(=O)CCCCOCCOCCOCCCCC(=O)CCC(=O)N4CCN(c5ccc(Nc6ncc(C)c(Nc7cccc(S(=O)(=O)CC(C)(C)C)c7)n6)cc5)CC4)c3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3cccc(OCC(=O)NCCCCCC(=O)CCC(=O)N4CCN(c5ccc(Nc6ncc(C)c(Nc7cccc(S(=O)(=O)CC(C)(C)C)c7)n6)cc5)CC4)c3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3cccc(OCC(=O)NCCCCCCCCCC(=O)CCC(=O)N4CCN(c5ccc(Nc6ncc(C)c(Nc7cccc(S(=O)(=O)CC(C)(C)C)c7)n6)cc5)CC4)c3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3cccc(OCC(=O)NCCCCCCCCNC(=O)c4ccc(Nc5ccc6c(n5)N(C5CCCC5)[C@H](C)C(=O)N6C)c(OC)c4)c3C2=O)C(=O)N1.COc1cc(C(=O)NCCCOCCOCCOCCCNC(=O)COc2cccc3c2C(=O)N(C2CCC(=O)NC2=O)C3=O)ccc1Nc1ccc2c(n1)N(C1CCCC1)[C@H](C)C(=O)N2C.
What is the InChIKey of 4-[[(3R)-4-cyclopentyl-1,3-dimethyl-2-oxo-3H-pyrido[2,3-b]pyrazin-6-yl]amino]-N-[3-[2-[2-[3-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]propoxy]ethoxy]ethoxy]propyl]-3-methoxybenzamide;4-[[(3R)-4-cyclopentyl-1,3-dimethyl-2-oxo-3H-pyrido[2,3-b]pyrazin-6-yl]amino]-3-methoxy-N-[8-[[2-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]octyl]benzamide;4-[7-[4-[4-[[4-[3-(2,2-dimethylpropylsulfonyl)anilino]-5-methylpyrimidin-2-yl]amino]phenyl]piperazin-1-yl]-2,7-dioxoheptoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;N-[9-[4-[4-[[4-[3-(2,2-dimethylpropylsulfonyl)anilino]-5-methylpyrimidin-2-yl]amino]phenyl]piperazin-1-yl]-6,9-dioxononyl]-2-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetamide;4-[6-[2-[2-[8-[4-[4-[[4-[3-(2,2-dimethylpropylsulfonyl)anilino]-5-methylpyrimidin-2-yl]amino]phenyl]piperazin-1-yl]-5,8-dioxooctoxy]ethoxy]ethoxy]-2-oxohexoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;N-[13-[4-[4-[[4-[3-(2,2-dimethylpropylsulfonyl)anilino]-5-methylpyrimidin-2-yl]amino]phenyl]piperazin-1-yl]-10,13-dioxotridecyl]-2-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetamide?
The InChIKey is MKLWPULVKFAYQI-AMPJZWACSA-N. The full InChI is InChI=1S/C58H74N8O12S.C55H69N9O9S.C51H61N9O9S.C47H58N8O12.C47H54N8O8S.C46H56N8O8/c1-40-37-59-57(63-53(40)61-43-12-10-15-47(36-43)79(73,74)39-58(3,4)5)62-42-19-21-44(22-20-42)64-26-28-65(29-27-64)51(69)25-23-45(67)13-6-8-30-75-32-34-77-35-33-76-31-9-7-14-46(68)38-78-50-17-11-16-48-52(50)56(72)66(55(48)71)49-24-18-41(2)60-54(49)70;1-37-34-57-54(61-50(37)59-40-15-13-17-43(33-40)74(71,72)36-55(3,4)5)60-39-21-23-41(24-22-39)62-29-31-63(32-30-62)48(67)27-25-42(65)16-11-9-7-6-8-10-12-28-56-47(66)35-73-46-19-14-18-44-49(46)53(70)64(52(44)69)45-26-20-38(2)58-51(45)68;1-33-30-53-50(57-46(33)55-36-11-9-13-39(29-36)70(67,68)32-51(3,4)5)56-35-17-19-37(20-18-35)58-25-27-59(28-26-58)44(63)23-21-38(61)12-7-6-8-24-52-43(62)31-69-42-15-10-14-40-45(42)49(66)60(48(40)65)41-22-16-34(2)54-47(41)64;1-29-45(60)53(2)34-15-17-38(51-42(34)54(29)31-9-4-5-10-31)50-33-14-13-30(27-37(33)63-3)43(58)49-20-8-22-65-24-26-66-25-23-64-21-7-19-48-40(57)28-67-36-12-6-11-32-41(36)47(62)55(46(32)61)35-16-18-39(56)52-44(35)59;1-30-27-48-46(52-42(30)50-33-10-8-12-36(26-33)64(61,62)29-47(3,4)5)51-32-17-19-34(20-18-32)53-22-24-54(25-23-53)40(57)15-7-6-11-35(56)28-63-39-14-9-13-37-41(39)45(60)55(44(37)59)38-21-16-31(2)49-43(38)58;1-28-18-21-35(43(57)49-28)54-45(59)32-16-13-17-36(40(32)46(54)60)62-27-39(55)47-24-11-7-5-6-8-12-25-48-42(56)30-19-20-33(37(26-30)61-4)50-38-23-22-34-41(51-38)53(31-14-9-10-15-31)29(2)44(58)52(34)3/h10-12,15-17,19-22,36-37,49H,2,6-9,13-14,18,23-35,38-39H2,1,3-5H3,(H,60,70)(H2,59,61,62,63);13-15,17-19,21-24,33-34,45H,2,6-12,16,20,25-32,35-36H2,1,3-5H3,(H,56,66)(H,58,68)(H2,57,59,60,61);9-11,13-15,17-20,29-30,41H,2,6-8,12,16,21-28,31-32H2,1,3-5H3,(H,52,62)(H,54,64)(H2,53,55,56,57);6,11-15,17,27,29,31,35H,4-5,7-10,16,18-26,28H2,1-3H3,(H,48,57)(H,49,58)(H,50,51)(H,52,56,59);8-10,12-14,17-20,26-27,38H,2,6-7,11,15-16,21-25,28-29H2,1,3-5H3,(H,49,58)(H2,48,50,51,52);13,16-17,19-20,22-23,26,29,31,35H,1,5-12,14-15,18,21,24-25,27H2,2-4H3,(H,47,55)(H,48,56)(H,49,57)(H,50,51)/t;;;29-,35?;;29-,35?/m...1.1/s1.
What are the key properties of 4-[[(3R)-4-cyclopentyl-1,3-dimethyl-2-oxo-3H-pyrido[2,3-b]pyrazin-6-yl]amino]-N-[3-[2-[2-[3-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]propoxy]ethoxy]ethoxy]propyl]-3-methoxybenzamide;4-[[(3R)-4-cyclopentyl-1,3-dimethyl-2-oxo-3H-pyrido[2,3-b]pyrazin-6-yl]amino]-3-methoxy-N-[8-[[2-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]octyl]benzamide;4-[7-[4-[4-[[4-[3-(2,2-dimethylpropylsulfonyl)anilino]-5-methylpyrimidin-2-yl]amino]phenyl]piperazin-1-yl]-2,7-dioxoheptoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;N-[9-[4-[4-[[4-[3-(2,2-dimethylpropylsulfonyl)anilino]-5-methylpyrimidin-2-yl]amino]phenyl]piperazin-1-yl]-6,9-dioxononyl]-2-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetamide;4-[6-[2-[2-[8-[4-[4-[[4-[3-(2,2-dimethylpropylsulfonyl)anilino]-5-methylpyrimidin-2-yl]amino]phenyl]piperazin-1-yl]-5,8-dioxooctoxy]ethoxy]ethoxy]-2-oxohexoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;N-[13-[4-[4-[[4-[3-(2,2-dimethylpropylsulfonyl)anilino]-5-methylpyrimidin-2-yl]amino]phenyl]piperazin-1-yl]-10,13-dioxotridecyl]-2-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetamide?
4-[[(3R)-4-cyclopentyl-1,3-dimethyl-2-oxo-3H-pyrido[2,3-b]pyrazin-6-yl]amino]-N-[3-[2-[2-[3-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]propoxy]ethoxy]ethoxy]propyl]-3-methoxybenzamide;4-[[(3R)-4-cyclopentyl-1,3-dimethyl-2-oxo-3H-pyrido[2,3-b]pyrazin-6-yl]amino]-3-methoxy-N-[8-[[2-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]octyl]benzamide;4-[7-[4-[4-[[4-[3-(2,2-dimethylpropylsulfonyl)anilino]-5-methylpyrimidin-2-yl]amino]phenyl]piperazin-1-yl]-2,7-dioxoheptoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;N-[9-[4-[4-[[4-[3-(2,2-dimethylpropylsulfonyl)anilino]-5-methylpyrimidin-2-yl]amino]phenyl]piperazin-1-yl]-6,9-dioxononyl]-2-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetamide;4-[6-[2-[2-[8-[4-[4-[[4-[3-(2,2-dimethylpropylsulfonyl)anilino]-5-methylpyrimidin-2-yl]amino]phenyl]piperazin-1-yl]-5,8-dioxooctoxy]ethoxy]ethoxy]-2-oxohexoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;N-[13-[4-[4-[[4-[3-(2,2-dimethylpropylsulfonyl)anilino]-5-methylpyrimidin-2-yl]amino]phenyl]piperazin-1-yl]-10,13-dioxotridecyl]-2-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetamide has a molecular weight of 5782.88 g/mol, XLogP of 36.59, 131 rotatable bonds, 22 hydrogen bond donors, and 84 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3R)-4-cyclopentyl-1,3-dimethyl-2-oxo-3H-pyrido[2,3-b]pyrazin-6-yl]amino]-N-[3-[2-[2-[3-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]propoxy]ethoxy]ethoxy]propyl]-3-methoxybenzamide;4-[[(3R)-4-cyclopentyl-1,3-dimethyl-2-oxo-3H-pyrido[2,3-b]pyrazin-6-yl]amino]-3-methoxy-N-[8-[[2-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]octyl]benzamide;4-[7-[4-[4-[[4-[3-(2,2-dimethylpropylsulfonyl)anilino]-5-methylpyrimidin-2-yl]amino]phenyl]piperazin-1-yl]-2,7-dioxoheptoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;N-[9-[4-[4-[[4-[3-(2,2-dimethylpropylsulfonyl)anilino]-5-methylpyrimidin-2-yl]amino]phenyl]piperazin-1-yl]-6,9-dioxononyl]-2-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetamide;4-[6-[2-[2-[8-[4-[4-[[4-[3-(2,2-dimethylpropylsulfonyl)anilino]-5-methylpyrimidin-2-yl]amino]phenyl]piperazin-1-yl]-5,8-dioxooctoxy]ethoxy]ethoxy]-2-oxohexoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;N-[13-[4-[4-[[4-[3-(2,2-dimethylpropylsulfonyl)anilino]-5-methylpyrimidin-2-yl]amino]phenyl]piperazin-1-yl]-10,13-dioxotridecyl]-2-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetamide is sourced from PubChem (CID 159592950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).