4-(buta-1,3-dien-2-ylamino)-N-[3-[[5-chloro-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrimidin-2-yl]amino]phenyl]benzamide;N-[3-[[5-chloro-4-(1H-indol-2-yl)pyrimidin-2-yl]amino]phenyl]-4-[[(E)-4-(dimethylamino)but-2-enoyl]amino]benzamide;N-[3-[[5-chloro-4-(1H-indol-4-yl)pyrimidin-2-yl]amino]phenyl]-4-[[(E)-4-(dimethylamino)but-2-enoyl]amino]benzamide;N-[3-[[5-chloro-4-(1H-indol-5-yl)pyrimidin-2-yl]amino]phenyl]-4-[[(E)-4-(dimethylamino)but-2-enoyl]amino]benzamide;N-[3-[[5-chloro-4-(1H-indol-6-yl)pyrimidin-2-yl]amino]phenyl]-4-[[(E)-4-(dimethylamino)but-2-enoyl]amino]benzamide;N-[3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]phenyl]-4-(3-ethylsulfanylbut-3-enylamino)benzamide;N-[3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]phenyl]-3-[[(E)-4-[ethynyl(methyl)amino]but-2-enoyl]amino]benzamide;N-[3-[[5-chloro-4-(1-methylindol-3-yl)pyrimidin-2-yl]amino]phenyl]-4-[[(E)-4-(dimethylamino)but-2-enoyl]amino]benzamide;N-[3-[[5-chloro-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrimidin-2-yl]amino]phenyl]-4-[[(E)-4-(dimethylamino)but-2-enoyl]amino]benzamide;4-[[(E)-4-(dimethylamino)but-2-enoyl]amino]-N-[3-[[4-(1H-indol-3-yl)quinazolin-2-yl]amino]phenyl]benzamide

C312H277Cl9N70O18S — CID 159317685

IUPAC4-(buta-1,3-dien-2-ylamino)-N-[3-[[5-chloro-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrimidin-2-yl]amino]phenyl]benzamide;N-[3-[[5-chloro-4-(1H-indol-2-yl)pyrimidin-2-yl]amino]phenyl]-4-[[(E)-4-(dimethylamino)but-2-enoyl]amino]benzamide;N-[3-[[5-chloro-4-(1H-indol-4-yl)pyrimidin-2-yl]amino]phenyl]-4-[[(E)-4-(dimethylamino)but-2-enoyl]amino]benzamide;N-[3-[[5-chloro-4-(1H-indol-5-yl)pyrimidin-2-yl]amino]phenyl]-4-[[(E)-4-(dimethylamino)but-2-enoyl]amino]benzamide;N-[3-[[5-chloro-4-(1H-indol-6-yl)pyrimidin-2-yl]amino]phenyl]-4-[[(E)-4-(dimethylamino)but-2-enoyl]amino]benzamide;N-[3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]phenyl]-4-(3-ethylsulfanylbut-3-enylamino)benzamide;N-[3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]phenyl]-3-[[(E)-4-[ethynyl(methyl)amino]but-2-enoyl]amino]benzamide;N-[3-[[5-chloro-4-(1-methylindol-3-yl)pyrimidin-2-yl]amino]phenyl]-4-[[(E)-4-(dimethylamino)but-2-enoyl]amino]benzamide;N-[3-[[5-chloro-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrimidin-2-yl]amino]phenyl]-4-[[(E)-4-(dimethylamino)but-2-enoyl]amino]benzamide;4-[[(E)-4-(dimethylamino)but-2-enoyl]amino]-N-[3-[[4-(1H-indol-3-yl)quinazolin-2-yl]amino]phenyl]benzamide
SMILESC#CN(C)C/C=C/C(=O)Nc1cccc(C(=O)Nc2cccc(Nc3ncc(Cl)c(-c4c[nH]c5ccccc45)n3)c2)c1.C=C(CCNc1ccc(C(=O)Nc2cccc(Nc3ncc(Cl)c(-c4c[nH]c5ccccc45)n3)c2)cc1)SCC.C=CC(=C)Nc1ccc(C(=O)Nc2cccc(Nc3ncc(Cl)c(-c4cnc5[nH]ccc5c4)n3)c2)cc1.CN(C)C/C=C/C(=O)Nc1ccc(C(=O)Nc2cccc(Nc3nc(-c4c[nH]c5ccccc45)c4ccccc4n3)c2)cc1.CN(C)C/C=C/C(=O)Nc1ccc(C(=O)Nc2cccc(Nc3ncc(Cl)c(-c4cc5ccccc5[nH]4)n3)c2)cc1.CN(C)C/C=C/C(=O)Nc1ccc(C(=O)Nc2cccc(Nc3ncc(Cl)c(-c4ccc5[nH]ccc5c4)n3)c2)cc1.CN(C)C/C=C/C(=O)Nc1ccc(C(=O)Nc2cccc(Nc3ncc(Cl)c(-c4ccc5cc[nH]c5c4)n3)c2)cc1.CN(C)C/C=C/C(=O)Nc1ccc(C(=O)Nc2cccc(Nc3ncc(Cl)c(-c4cccc5[nH]ccc45)n3)c2)cc1.CN(C)C/C=C/C(=O)Nc1ccc(C(=O)Nc2cccc(Nc3ncc(Cl)c(-c4cn(C)c5ccccc45)n3)c2)cc1.CN(C)C/C=C/C(=O)Nc1ccc(C(=O)Nc2cccc(Nc3ncc(Cl)c(-c4cnc5[nH]ccc5c4)n3)c2)cc1
InChIInChI=1S/C35H31N7O2.C32H30ClN7O2.C32H26ClN7O2.4C31H28ClN7O2.C31H29ClN6OS.C30H27ClN8O2.C28H22ClN7O/c1-42(2)20-8-15-32(43)37-24-18-16-23(17-19-24)34(44)38-25-9-7-10-26(21-25)39-35-40-31-14-6-4-12-28(31)33(41-35)29-22-36-30-13-5-3-11-27(29)30;1-39(2)17-7-12-29(41)35-22-15-13-21(14-16-22)31(42)36-23-8-6-9-24(18-23)37-32-34-19-27(33)30(38-32)26-20-40(3)28-11-5-4-10-25(26)28;1-3-40(2)16-8-15-29(41)36-22-10-6-9-21(17-22)31(42)37-23-11-7-12-24(18-23)38-32-35-20-27(33)30(39-32)26-19-34-28-14-5-4-13-25(26)28;1-39(2)17-5-10-28(40)35-21-13-11-20(12-14-21)30(41)36-22-6-3-7-23(18-22)37-31-34-19-26(32)29(38-31)25-8-4-9-27-24(25)15-16-33-27;1-39(2)16-4-7-28(40)35-23-11-8-20(9-12-23)30(41)36-24-5-3-6-25(18-24)37-31-34-19-26(32)29(38-31)22-10-13-27-21(17-22)14-15-33-27;1-39(2)16-4-7-28(40)35-23-12-10-21(11-13-23)30(41)36-24-5-3-6-25(18-24)37-31-34-19-26(32)29(38-31)22-9-8-20-14-15-33-27(20)17-22;1-39(2)16-6-11-28(40)34-22-14-12-20(13-15-22)30(41)35-23-8-5-9-24(18-23)36-31-33-19-25(32)29(38-31)27-17-21-7-3-4-10-26(21)37-27;1-3-40-20(2)15-16-33-22-13-11-21(12-14-22)30(39)36-23-7-6-8-24(17-23)37-31-35-19-27(32)29(38-31)26-18-34-28-10-5-4-9-25(26)28;1-39(2)14-4-7-26(40)35-22-10-8-19(9-11-22)29(41)36-23-5-3-6-24(16-23)37-30-34-18-25(31)27(38-30)21-15-20-12-13-32-28(20)33-17-21;1-3-17(2)33-21-9-7-18(8-10-21)27(37)34-22-5-4-6-23(14-22)35-28-32-16-24(29)25(36-28)20-13-19-11-12-30-26(19)31-15-20/h3-19,21-22,36H,20H2,1-2H3,(H,37,43)(H,38,44)(H,39,40,41);4-16,18-20H,17H2,1-3H3,(H,35,41)(H,36,42)(H,34,37,38);1,4-15,17-20,34H,16H2,2H3,(H,36,41)(H,37,42)(H,35,38,39);3-16,18-19,33H,17H2,1-2H3,(H,35,40)(H,36,41)(H,34,37,38);2*3-15,17-19,33H,16H2,1-2H3,(H,35,40)(H,36,41)(H,34,37,38);3-15,17-19,37H,16H2,1-2H3,(H,34,40)(H,35,41)(H,33,36,38);4-14,17-19,33-34H,2-3,15-16H2,1H3,(H,36,39)(H,35,37,38);3-13,15-18H,14H2,1-2H3,(H,32,33)(H,35,40)(H,36,41)(H,34,37,38);3-16,33H,1-2H2,(H,30,31)(H,34,37)(H,32,35,36)/b15-8+;12-7+;15-8+;10-5+;2*7-4+;11-6+;;7-4+;
InChIKeyLDIUQYPJNGQWKT-VMSVONBMSA-N
MW5646.26 g/mol
LogP65.63
Rot. Bonds91

About 4-(buta-1,3-dien-2-ylamino)-N-[3-[[5-chloro-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrimidin-2-yl]amino]phenyl]benzamide;N-[3-[[5-chloro-4-(1H-indol-2-yl)pyrimidin-2-yl]amino]phenyl]-4-[[(E)-4-(dimethylamino)but-2-enoyl]amino]benzamide;N-[3-[[5-chloro-4-(1H-indol-4-yl)pyrimidin-2-yl]amino]phenyl]-4-[[(E)-4-(dimethylamino)but-2-enoyl]amino]benzamide;N-[3-[[5-chloro-4-(1H-indol-5-yl)pyrimidin-2-yl]amino]phenyl]-4-[[(E)-4-(dimethylamino)but-2-enoyl]amino]benzamide;N-[3-[[5-chloro-4-(1H-indol-6-yl)pyrimidin-2-yl]amino]phenyl]-4-[[(E)-4-(dimethylamino)but-2-enoyl]amino]benzamide;N-[3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]phenyl]-4-(3-ethylsulfanylbut-3-enylamino)benzamide;N-[3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]phenyl]-3-[[(E)-4-[ethynyl(methyl)amino]but-2-enoyl]amino]benzamide;N-[3-[[5-chloro-4-(1-methylindol-3-yl)pyrimidin-2-yl]amino]phenyl]-4-[[(E)-4-(dimethylamino)but-2-enoyl]amino]benzamide;N-[3-[[5-chloro-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrimidin-2-yl]amino]phenyl]-4-[[(E)-4-(dimethylamino)but-2-enoyl]amino]benzamide;4-[[(E)-4-(dimethylamino)but-2-enoyl]amino]-N-[3-[[4-(1H-indol-3-yl)quinazolin-2-yl]amino]phenyl]benzamide

4-(buta-1,3-dien-2-ylamino)-N-[3-[[5-chloro-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrimidin-2-yl]amino]phenyl]benzamide;N-[3-[[5-chloro-4-(1H-indol-2-yl)pyrimidin-2-yl]amino]phenyl]-4-[[(E)-4-(dimethylamino)but-2-enoyl]amino]benzamide;N-[3-[[5-chloro-4-(1H-indol-4-yl)pyrimidin-2-yl]amino]phenyl]-4-[[(E)-4-(dimethylamino)but-2-enoyl]amino]benzamide;N-[3-[[5-chloro-4-(1H-indol-5-yl)pyrimidin-2-yl]amino]phenyl]-4-[[(E)-4-(dimethylamino)but-2-enoyl]amino]benzamide;N-[3-[[5-chloro-4-(1H-indol-6-yl)pyrimidin-2-yl]amino]phenyl]-4-[[(E)-4-(dimethylamino)but-2-enoyl]amino]benzamide;N-[3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]phenyl]-4-(3-ethylsulfanylbut-3-enylamino)benzamide;N-[3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]phenyl]-3-[[(E)-4-[ethynyl(methyl)amino]but-2-enoyl]amino]benzamide;N-[3-[[5-chloro-4-(1-methylindol-3-yl)pyrimidin-2-yl]amino]phenyl]-4-[[(E)-4-(dimethylamino)but-2-enoyl]amino]benzamide;N-[3-[[5-chloro-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrimidin-2-yl]amino]phenyl]-4-[[(E)-4-(dimethylamino)but-2-enoyl]amino]benzamide;4-[[(E)-4-(dimethylamino)but-2-enoyl]amino]-N-[3-[[4-(1H-indol-3-yl)quinazolin-2-yl]amino]phenyl]benzamide (PubChem CID 159317685) has the molecular formula C312H277Cl9N70O18S and a molecular weight of 5646.26 g/mol. Its IUPAC name is 4-(buta-1,3-dien-2-ylamino)-N-[3-[[5-chloro-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrimidin-2-yl]amino]phenyl]benzamide;N-[3-[[5-chloro-4-(1H-indol-2-yl)pyrimidin-2-yl]amino]phenyl]-4-[[(E)-4-(dimethylamino)but-2-enoyl]amino]benzamide;N-[3-[[5-chloro-4-(1H-indol-4-yl)pyrimidin-2-yl]amino]phenyl]-4-[[(E)-4-(dimethylamino)but-2-enoyl]amino]benzamide;N-[3-[[5-chloro-4-(1H-indol-5-yl)pyrimidin-2-yl]amino]phenyl]-4-[[(E)-4-(dimethylamino)but-2-enoyl]amino]benzamide;N-[3-[[5-chloro-4-(1H-indol-6-yl)pyrimidin-2-yl]amino]phenyl]-4-[[(E)-4-(dimethylamino)but-2-enoyl]amino]benzamide;N-[3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]phenyl]-4-(3-ethylsulfanylbut-3-enylamino)benzamide;N-[3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]phenyl]-3-[[(E)-4-[ethynyl(methyl)amino]but-2-enoyl]amino]benzamide;N-[3-[[5-chloro-4-(1-methylindol-3-yl)pyrimidin-2-yl]amino]phenyl]-4-[[(E)-4-(dimethylamino)but-2-enoyl]amino]benzamide;N-[3-[[5-chloro-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrimidin-2-yl]amino]phenyl]-4-[[(E)-4-(dimethylamino)but-2-enoyl]amino]benzamide;4-[[(E)-4-(dimethylamino)but-2-enoyl]amino]-N-[3-[[4-(1H-indol-3-yl)quinazolin-2-yl]amino]phenyl]benzamide.

Molecular Properties

Compound Name4-(buta-1,3-dien-2-ylamino)-N-[3-[[5-chloro-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrimidin-2-yl]amino]phenyl]benzamide;N-[3-[[5-chloro-4-(1H-indol-2-yl)pyrimidin-2-yl]amino]phenyl]-4-[[(E)-4-(dimethylamino)but-2-enoyl]amino]benzamide;N-[3-[[5-chloro-4-(1H-indol-4-yl)pyrimidin-2-yl]amino]phenyl]-4-[[(E)-4-(dimethylamino)but-2-enoyl]amino]benzamide;N-[3-[[5-chloro-4-(1H-indol-5-yl)pyrimidin-2-yl]amino]phenyl]-4-[[(E)-4-(dimethylamino)but-2-enoyl]amino]benzamide;N-[3-[[5-chloro-4-(1H-indol-6-yl)pyrimidin-2-yl]amino]phenyl]-4-[[(E)-4-(dimethylamino)but-2-enoyl]amino]benzamide;N-[3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]phenyl]-4-(3-ethylsulfanylbut-3-enylamino)benzamide;N-[3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]phenyl]-3-[[(E)-4-[ethynyl(methyl)amino]but-2-enoyl]amino]benzamide;N-[3-[[5-chloro-4-(1-methylindol-3-yl)pyrimidin-2-yl]amino]phenyl]-4-[[(E)-4-(dimethylamino)but-2-enoyl]amino]benzamide;N-[3-[[5-chloro-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrimidin-2-yl]amino]phenyl]-4-[[(E)-4-(dimethylamino)but-2-enoyl]amino]benzamide;4-[[(E)-4-(dimethylamino)but-2-enoyl]amino]-N-[3-[[4-(1H-indol-3-yl)quinazolin-2-yl]amino]phenyl]benzamide
PubChem CID159317685
Molecular FormulaC312H277Cl9N70O18S
Molecular Weight5646.26 g/mol
Exact Mass5637.98
IUPAC Name4-(buta-1,3-dien-2-ylamino)-N-[3-[[5-chloro-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrimidin-2-yl]amino]phenyl]benzamide;N-[3-[[5-chloro-4-(1H-indol-2-yl)pyrimidin-2-yl]amino]phenyl]-4-[[(E)-4-(dimethylamino)but-2-enoyl]amino]benzamide;N-[3-[[5-chloro-4-(1H-indol-4-yl)pyrimidin-2-yl]amino]phenyl]-4-[[(E)-4-(dimethylamino)but-2-enoyl]amino]benzamide;N-[3-[[5-chloro-4-(1H-indol-5-yl)pyrimidin-2-yl]amino]phenyl]-4-[[(E)-4-(dimethylamino)but-2-enoyl]amino]benzamide;N-[3-[[5-chloro-4-(1H-indol-6-yl)pyrimidin-2-yl]amino]phenyl]-4-[[(E)-4-(dimethylamino)but-2-enoyl]amino]benzamide;N-[3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]phenyl]-4-(3-ethylsulfanylbut-3-enylamino)benzamide;N-[3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]phenyl]-3-[[(E)-4-[ethynyl(methyl)amino]but-2-enoyl]amino]benzamide;N-[3-[[5-chloro-4-(1-methylindol-3-yl)pyrimidin-2-yl]amino]phenyl]-4-[[(E)-4-(dimethylamino)but-2-enoyl]amino]benzamide;N-[3-[[5-chloro-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrimidin-2-yl]amino]phenyl]-4-[[(E)-4-(dimethylamino)but-2-enoyl]amino]benzamide;4-[[(E)-4-(dimethylamino)but-2-enoyl]amino]-N-[3-[[4-(1H-indol-3-yl)quinazolin-2-yl]amino]phenyl]benzamide
SMILESC#CN(C)C/C=C/C(=O)Nc1cccc(C(=O)Nc2cccc(Nc3ncc(Cl)c(-c4c[nH]c5ccccc45)n3)c2)c1.C=C(CCNc1ccc(C(=O)Nc2cccc(Nc3ncc(Cl)c(-c4c[nH]c5ccccc45)n3)c2)cc1)SCC.C=CC(=C)Nc1ccc(C(=O)Nc2cccc(Nc3ncc(Cl)c(-c4cnc5[nH]ccc5c4)n3)c2)cc1.CN(C)C/C=C/C(=O)Nc1ccc(C(=O)Nc2cccc(Nc3nc(-c4c[nH]c5ccccc45)c4ccccc4n3)c2)cc1.CN(C)C/C=C/C(=O)Nc1ccc(C(=O)Nc2cccc(Nc3ncc(Cl)c(-c4cc5ccccc5[nH]4)n3)c2)cc1.CN(C)C/C=C/C(=O)Nc1ccc(C(=O)Nc2cccc(Nc3ncc(Cl)c(-c4ccc5[nH]ccc5c4)n3)c2)cc1.CN(C)C/C=C/C(=O)Nc1ccc(C(=O)Nc2cccc(Nc3ncc(Cl)c(-c4ccc5cc[nH]c5c4)n3)c2)cc1.CN(C)C/C=C/C(=O)Nc1ccc(C(=O)Nc2cccc(Nc3ncc(Cl)c(-c4cccc5[nH]ccc45)n3)c2)cc1.CN(C)C/C=C/C(=O)Nc1ccc(C(=O)Nc2cccc(Nc3ncc(Cl)c(-c4cn(C)c5ccccc45)n3)c2)cc1.CN(C)C/C=C/C(=O)Nc1ccc(C(=O)Nc2cccc(Nc3ncc(Cl)c(-c4cnc5[nH]ccc5c4)n3)c2)cc1
InChIInChI=1S/C35H31N7O2.C32H30ClN7O2.C32H26ClN7O2.4C31H28ClN7O2.C31H29ClN6OS.C30H27ClN8O2.C28H22ClN7O/c1-42(2)20-8-15-32(43)37-24-18-16-23(17-19-24)34(44)38-25-9-7-10-26(21-25)39-35-40-31-14-6-4-12-28(31)33(41-35)29-22-36-30-13-5-3-11-27(29)30;1-39(2)17-7-12-29(41)35-22-15-13-21(14-16-22)31(42)36-23-8-6-9-24(18-23)37-32-34-19-27(33)30(38-32)26-20-40(3)28-11-5-4-10-25(26)28;1-3-40(2)16-8-15-29(41)36-22-10-6-9-21(17-22)31(42)37-23-11-7-12-24(18-23)38-32-35-20-27(33)30(39-32)26-19-34-28-14-5-4-13-25(26)28;1-39(2)17-5-10-28(40)35-21-13-11-20(12-14-21)30(41)36-22-6-3-7-23(18-22)37-31-34-19-26(32)29(38-31)25-8-4-9-27-24(25)15-16-33-27;1-39(2)16-4-7-28(40)35-23-11-8-20(9-12-23)30(41)36-24-5-3-6-25(18-24)37-31-34-19-26(32)29(38-31)22-10-13-27-21(17-22)14-15-33-27;1-39(2)16-4-7-28(40)35-23-12-10-21(11-13-23)30(41)36-24-5-3-6-25(18-24)37-31-34-19-26(32)29(38-31)22-9-8-20-14-15-33-27(20)17-22;1-39(2)16-6-11-28(40)34-22-14-12-20(13-15-22)30(41)35-23-8-5-9-24(18-23)36-31-33-19-25(32)29(38-31)27-17-21-7-3-4-10-26(21)37-27;1-3-40-20(2)15-16-33-22-13-11-21(12-14-22)30(39)36-23-7-6-8-24(17-23)37-31-35-19-27(32)29(38-31)26-18-34-28-10-5-4-9-25(26)28;1-39(2)14-4-7-26(40)35-22-10-8-19(9-11-22)29(41)36-23-5-3-6-24(16-23)37-30-34-18-25(31)27(38-30)21-15-20-12-13-32-28(20)33-17-21;1-3-17(2)33-21-9-7-18(8-10-21)27(37)34-22-5-4-6-23(14-22)35-28-32-16-24(29)25(36-28)20-13-19-11-12-30-26(19)31-15-20/h3-19,21-22,36H,20H2,1-2H3,(H,37,43)(H,38,44)(H,39,40,41);4-16,18-20H,17H2,1-3H3,(H,35,41)(H,36,42)(H,34,37,38);1,4-15,17-20,34H,16H2,2H3,(H,36,41)(H,37,42)(H,35,38,39);3-16,18-19,33H,17H2,1-2H3,(H,35,40)(H,36,41)(H,34,37,38);2*3-15,17-19,33H,16H2,1-2H3,(H,35,40)(H,36,41)(H,34,37,38);3-15,17-19,37H,16H2,1-2H3,(H,34,40)(H,35,41)(H,33,36,38);4-14,17-19,33-34H,2-3,15-16H2,1H3,(H,36,39)(H,35,37,38);3-13,15-18H,14H2,1-2H3,(H,32,33)(H,35,40)(H,36,41)(H,34,37,38);3-16,33H,1-2H2,(H,30,31)(H,34,37)(H,32,35,36)/b15-8+;12-7+;15-8+;10-5+;2*7-4+;11-6+;;7-4+;
InChIKeyLDIUQYPJNGQWKT-VMSVONBMSA-N
XLogP65.63
TPSA1124.70 Ų
H-Bond Donors39
H-Bond Acceptors62
Rotatable Bonds91
Heavy Atoms410
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5005646.26
LogP ≤ 565.63
H-Bond Donors ≤ 539
H-Bond Acceptors ≤ 1062

Analyze 4-(buta-1,3-dien-2-ylamino)-N-[3-[[5-chloro-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrimidin-2-yl]amino]phenyl]benzamide;N-[3-[[5-chloro-4-(1H-indol-2-yl)pyrimidin-2-yl]amino]phenyl]-4-[[(E)-4-(dimethylamino)but-2-enoyl]amino]benzamide;N-[3-[[5-chloro-4-(1H-indol-4-yl)pyrimidin-2-yl]amino]phenyl]-4-[[(E)-4-(dimethylamino)but-2-enoyl]amino]benzamide;N-[3-[[5-chloro-4-(1H-indol-5-yl)pyrimidin-2-yl]amino]phenyl]-4-[[(E)-4-(dimethylamino)but-2-enoyl]amino]benzamide;N-[3-[[5-chloro-4-(1H-indol-6-yl)pyrimidin-2-yl]amino]phenyl]-4-[[(E)-4-(dimethylamino)but-2-enoyl]amino]benzamide;N-[3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]phenyl]-4-(3-ethylsulfanylbut-3-enylamino)benzamide;N-[3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]phenyl]-3-[[(E)-4-[ethynyl(methyl)amino]but-2-enoyl]amino]benzamide;N-[3-[[5-chloro-4-(1-methylindol-3-yl)pyrimidin-2-yl]amino]phenyl]-4-[[(E)-4-(dimethylamino)but-2-enoyl]amino]benzamide;N-[3-[[5-chloro-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrimidin-2-yl]amino]phenyl]-4-[[(E)-4-(dimethylamino)but-2-enoyl]amino]benzamide;4-[[(E)-4-(dimethylamino)but-2-enoyl]amino]-N-[3-[[4-(1H-indol-3-yl)quinazolin-2-yl]amino]phenyl]benzamide with MolForge

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Related Compounds

N-[3-[[5-chloro-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrimidin-2-yl]amino]phenyl]-4-[4-(dimethylamino)but-2-enoylamino]benzamide
CID 123296452
N-[5-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]-2-methylphenyl]-3-[[(E)-4-(dimethylamino)but-2-enoyl]amino]benzamide
CID 74221538
N-[5-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]-2-methylphenyl]-4-[[(E)-4-(dimethylamino)but-2-enoyl]amino]benzamide
CID 74221473
4-(buta-1,3-dien-2-ylamino)-N-[3-[[5-chloro-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrimidin-2-yl]amino]phenyl]benzamide
CID 159317686
4-[[(E)-4-(dimethylamino)but-2-enoyl]amino]-N-[3-[[5-methyl-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrrolo[3,2-d]pyrimidin-2-yl]amino]phenyl]benzamide
CID 134574448
4-(buta-1,3-dien-2-ylamino)-N-[3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]methyl]phenyl]benzamide;N-[3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]methyl]-4-methylphenyl]-4-[[(E)-4-(dimethylamino)but-2-enoyl]amino]benzamide;N-[3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]methyl]phenyl]-4-[[(E)-4-(dimethylamino)but-2-enoyl]amino]benzamide;4-[[(E)-4-(dimethylamino)but-2-enoyl]amino]-N-[3-[[5-ethyl-4-(1H-indol-3-yl)pyrimidin-2-yl]methyl]phenyl]benzamide
CID 162158952
N-[3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]phenyl]-4-[[(E)-4-(methylamino)but-2-enoyl]amino]benzamide;methylsulfanylmethane
CID 163403839
(E)-N-[4-[[3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]phenyl]sulfamoyl]phenyl]pent-2-enamide;3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]methyl]-N-[4-[[(E)-4-(dimethylamino)but-2-enoyl]amino]phenyl]benzamide;3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]methyl]-N-[4-[(E)-5-(dimethylamino)-2-oxopent-3-enyl]phenyl]benzamide;N-[3-[[5-chloro-4-(1-methylindol-2-yl)pyrimidin-2-yl]amino]phenyl]-4-[[(E)-4-(dimethylamino)but-2-enoyl]amino]benzamide;N-[3-[[5-chloro-4-(1-methylpyrrolo[2,3-b]pyridin-6-yl)pyrimidin-2-yl]amino]phenyl]-4-[[(E)-4-(dimethylamino)but-2-enoyl]amino]benzamide
CID 157142094
N-[3-[[5-chloro-4-(1-methylindol-3-yl)pyrimidin-2-yl]amino]phenyl]-4-[4-(dimethylamino)butanoylamino]benzamide
CID 154953444
N-[3-[[5-chloro-4-(1H-indol-4-yl)pyrimidin-2-yl]methyl]phenyl]-4-[[(E)-4-(dimethylamino)but-2-enoyl]amino]benzamide
CID 157093608
N-[3-[[5-chloro-6-(1H-indol-3-yl)-2-pyridinyl]amino]phenyl]-4-[4-(dimethylamino)but-2-enoylamino]benzamide
CID 123303314
4-[4-(dimethylamino)but-2-enoylamino]-N-[3-[[5-methyl-4-(5-methyl-1H-indol-3-yl)pyrimidin-2-yl]amino]phenyl]benzamide
CID 123212519

Frequently Asked Questions

What is the IUPAC name of 4-(buta-1,3-dien-2-ylamino)-N-[3-[[5-chloro-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrimidin-2-yl]amino]phenyl]benzamide;N-[3-[[5-chloro-4-(1H-indol-2-yl)pyrimidin-2-yl]amino]phenyl]-4-[[(E)-4-(dimethylamino)but-2-enoyl]amino]benzamide;N-[3-[[5-chloro-4-(1H-indol-4-yl)pyrimidin-2-yl]amino]phenyl]-4-[[(E)-4-(dimethylamino)but-2-enoyl]amino]benzamide;N-[3-[[5-chloro-4-(1H-indol-5-yl)pyrimidin-2-yl]amino]phenyl]-4-[[(E)-4-(dimethylamino)but-2-enoyl]amino]benzamide;N-[3-[[5-chloro-4-(1H-indol-6-yl)pyrimidin-2-yl]amino]phenyl]-4-[[(E)-4-(dimethylamino)but-2-enoyl]amino]benzamide;N-[3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]phenyl]-4-(3-ethylsulfanylbut-3-enylamino)benzamide;N-[3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]phenyl]-3-[[(E)-4-[ethynyl(methyl)amino]but-2-enoyl]amino]benzamide;N-[3-[[5-chloro-4-(1-methylindol-3-yl)pyrimidin-2-yl]amino]phenyl]-4-[[(E)-4-(dimethylamino)but-2-enoyl]amino]benzamide;N-[3-[[5-chloro-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrimidin-2-yl]amino]phenyl]-4-[[(E)-4-(dimethylamino)but-2-enoyl]amino]benzamide;4-[[(E)-4-(dimethylamino)but-2-enoyl]amino]-N-[3-[[4-(1H-indol-3-yl)quinazolin-2-yl]amino]phenyl]benzamide?
The IUPAC name of 4-(buta-1,3-dien-2-ylamino)-N-[3-[[5-chloro-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrimidin-2-yl]amino]phenyl]benzamide;N-[3-[[5-chloro-4-(1H-indol-2-yl)pyrimidin-2-yl]amino]phenyl]-4-[[(E)-4-(dimethylamino)but-2-enoyl]amino]benzamide;N-[3-[[5-chloro-4-(1H-indol-4-yl)pyrimidin-2-yl]amino]phenyl]-4-[[(E)-4-(dimethylamino)but-2-enoyl]amino]benzamide;N-[3-[[5-chloro-4-(1H-indol-5-yl)pyrimidin-2-yl]amino]phenyl]-4-[[(E)-4-(dimethylamino)but-2-enoyl]amino]benzamide;N-[3-[[5-chloro-4-(1H-indol-6-yl)pyrimidin-2-yl]amino]phenyl]-4-[[(E)-4-(dimethylamino)but-2-enoyl]amino]benzamide;N-[3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]phenyl]-4-(3-ethylsulfanylbut-3-enylamino)benzamide;N-[3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]phenyl]-3-[[(E)-4-[ethynyl(methyl)amino]but-2-enoyl]amino]benzamide;N-[3-[[5-chloro-4-(1-methylindol-3-yl)pyrimidin-2-yl]amino]phenyl]-4-[[(E)-4-(dimethylamino)but-2-enoyl]amino]benzamide;N-[3-[[5-chloro-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrimidin-2-yl]amino]phenyl]-4-[[(E)-4-(dimethylamino)but-2-enoyl]amino]benzamide;4-[[(E)-4-(dimethylamino)but-2-enoyl]amino]-N-[3-[[4-(1H-indol-3-yl)quinazolin-2-yl]amino]phenyl]benzamide (CID 159317685) is 4-(buta-1,3-dien-2-ylamino)-N-[3-[[5-chloro-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrimidin-2-yl]amino]phenyl]benzamide;N-[3-[[5-chloro-4-(1H-indol-2-yl)pyrimidin-2-yl]amino]phenyl]-4-[[(E)-4-(dimethylamino)but-2-enoyl]amino]benzamide;N-[3-[[5-chloro-4-(1H-indol-4-yl)pyrimidin-2-yl]amino]phenyl]-4-[[(E)-4-(dimethylamino)but-2-enoyl]amino]benzamide;N-[3-[[5-chloro-4-(1H-indol-5-yl)pyrimidin-2-yl]amino]phenyl]-4-[[(E)-4-(dimethylamino)but-2-enoyl]amino]benzamide;N-[3-[[5-chloro-4-(1H-indol-6-yl)pyrimidin-2-yl]amino]phenyl]-4-[[(E)-4-(dimethylamino)but-2-enoyl]amino]benzamide;N-[3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]phenyl]-4-(3-ethylsulfanylbut-3-enylamino)benzamide;N-[3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]phenyl]-3-[[(E)-4-[ethynyl(methyl)amino]but-2-enoyl]amino]benzamide;N-[3-[[5-chloro-4-(1-methylindol-3-yl)pyrimidin-2-yl]amino]phenyl]-4-[[(E)-4-(dimethylamino)but-2-enoyl]amino]benzamide;N-[3-[[5-chloro-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrimidin-2-yl]amino]phenyl]-4-[[(E)-4-(dimethylamino)but-2-enoyl]amino]benzamide;4-[[(E)-4-(dimethylamino)but-2-enoyl]amino]-N-[3-[[4-(1H-indol-3-yl)quinazolin-2-yl]amino]phenyl]benzamide.
What is the SMILES notation for 4-(buta-1,3-dien-2-ylamino)-N-[3-[[5-chloro-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrimidin-2-yl]amino]phenyl]benzamide;N-[3-[[5-chloro-4-(1H-indol-2-yl)pyrimidin-2-yl]amino]phenyl]-4-[[(E)-4-(dimethylamino)but-2-enoyl]amino]benzamide;N-[3-[[5-chloro-4-(1H-indol-4-yl)pyrimidin-2-yl]amino]phenyl]-4-[[(E)-4-(dimethylamino)but-2-enoyl]amino]benzamide;N-[3-[[5-chloro-4-(1H-indol-5-yl)pyrimidin-2-yl]amino]phenyl]-4-[[(E)-4-(dimethylamino)but-2-enoyl]amino]benzamide;N-[3-[[5-chloro-4-(1H-indol-6-yl)pyrimidin-2-yl]amino]phenyl]-4-[[(E)-4-(dimethylamino)but-2-enoyl]amino]benzamide;N-[3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]phenyl]-4-(3-ethylsulfanylbut-3-enylamino)benzamide;N-[3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]phenyl]-3-[[(E)-4-[ethynyl(methyl)amino]but-2-enoyl]amino]benzamide;N-[3-[[5-chloro-4-(1-methylindol-3-yl)pyrimidin-2-yl]amino]phenyl]-4-[[(E)-4-(dimethylamino)but-2-enoyl]amino]benzamide;N-[3-[[5-chloro-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrimidin-2-yl]amino]phenyl]-4-[[(E)-4-(dimethylamino)but-2-enoyl]amino]benzamide;4-[[(E)-4-(dimethylamino)but-2-enoyl]amino]-N-[3-[[4-(1H-indol-3-yl)quinazolin-2-yl]amino]phenyl]benzamide?
The canonical SMILES for 4-(buta-1,3-dien-2-ylamino)-N-[3-[[5-chloro-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrimidin-2-yl]amino]phenyl]benzamide;N-[3-[[5-chloro-4-(1H-indol-2-yl)pyrimidin-2-yl]amino]phenyl]-4-[[(E)-4-(dimethylamino)but-2-enoyl]amino]benzamide;N-[3-[[5-chloro-4-(1H-indol-4-yl)pyrimidin-2-yl]amino]phenyl]-4-[[(E)-4-(dimethylamino)but-2-enoyl]amino]benzamide;N-[3-[[5-chloro-4-(1H-indol-5-yl)pyrimidin-2-yl]amino]phenyl]-4-[[(E)-4-(dimethylamino)but-2-enoyl]amino]benzamide;N-[3-[[5-chloro-4-(1H-indol-6-yl)pyrimidin-2-yl]amino]phenyl]-4-[[(E)-4-(dimethylamino)but-2-enoyl]amino]benzamide;N-[3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]phenyl]-4-(3-ethylsulfanylbut-3-enylamino)benzamide;N-[3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]phenyl]-3-[[(E)-4-[ethynyl(methyl)amino]but-2-enoyl]amino]benzamide;N-[3-[[5-chloro-4-(1-methylindol-3-yl)pyrimidin-2-yl]amino]phenyl]-4-[[(E)-4-(dimethylamino)but-2-enoyl]amino]benzamide;N-[3-[[5-chloro-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrimidin-2-yl]amino]phenyl]-4-[[(E)-4-(dimethylamino)but-2-enoyl]amino]benzamide;4-[[(E)-4-(dimethylamino)but-2-enoyl]amino]-N-[3-[[4-(1H-indol-3-yl)quinazolin-2-yl]amino]phenyl]benzamide is C#CN(C)C/C=C/C(=O)Nc1cccc(C(=O)Nc2cccc(Nc3ncc(Cl)c(-c4c[nH]c5ccccc45)n3)c2)c1.C=C(CCNc1ccc(C(=O)Nc2cccc(Nc3ncc(Cl)c(-c4c[nH]c5ccccc45)n3)c2)cc1)SCC.C=CC(=C)Nc1ccc(C(=O)Nc2cccc(Nc3ncc(Cl)c(-c4cnc5[nH]ccc5c4)n3)c2)cc1.CN(C)C/C=C/C(=O)Nc1ccc(C(=O)Nc2cccc(Nc3nc(-c4c[nH]c5ccccc45)c4ccccc4n3)c2)cc1.CN(C)C/C=C/C(=O)Nc1ccc(C(=O)Nc2cccc(Nc3ncc(Cl)c(-c4cc5ccccc5[nH]4)n3)c2)cc1.CN(C)C/C=C/C(=O)Nc1ccc(C(=O)Nc2cccc(Nc3ncc(Cl)c(-c4ccc5[nH]ccc5c4)n3)c2)cc1.CN(C)C/C=C/C(=O)Nc1ccc(C(=O)Nc2cccc(Nc3ncc(Cl)c(-c4ccc5cc[nH]c5c4)n3)c2)cc1.CN(C)C/C=C/C(=O)Nc1ccc(C(=O)Nc2cccc(Nc3ncc(Cl)c(-c4cccc5[nH]ccc45)n3)c2)cc1.CN(C)C/C=C/C(=O)Nc1ccc(C(=O)Nc2cccc(Nc3ncc(Cl)c(-c4cn(C)c5ccccc45)n3)c2)cc1.CN(C)C/C=C/C(=O)Nc1ccc(C(=O)Nc2cccc(Nc3ncc(Cl)c(-c4cnc5[nH]ccc5c4)n3)c2)cc1.
What is the InChIKey of 4-(buta-1,3-dien-2-ylamino)-N-[3-[[5-chloro-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrimidin-2-yl]amino]phenyl]benzamide;N-[3-[[5-chloro-4-(1H-indol-2-yl)pyrimidin-2-yl]amino]phenyl]-4-[[(E)-4-(dimethylamino)but-2-enoyl]amino]benzamide;N-[3-[[5-chloro-4-(1H-indol-4-yl)pyrimidin-2-yl]amino]phenyl]-4-[[(E)-4-(dimethylamino)but-2-enoyl]amino]benzamide;N-[3-[[5-chloro-4-(1H-indol-5-yl)pyrimidin-2-yl]amino]phenyl]-4-[[(E)-4-(dimethylamino)but-2-enoyl]amino]benzamide;N-[3-[[5-chloro-4-(1H-indol-6-yl)pyrimidin-2-yl]amino]phenyl]-4-[[(E)-4-(dimethylamino)but-2-enoyl]amino]benzamide;N-[3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]phenyl]-4-(3-ethylsulfanylbut-3-enylamino)benzamide;N-[3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]phenyl]-3-[[(E)-4-[ethynyl(methyl)amino]but-2-enoyl]amino]benzamide;N-[3-[[5-chloro-4-(1-methylindol-3-yl)pyrimidin-2-yl]amino]phenyl]-4-[[(E)-4-(dimethylamino)but-2-enoyl]amino]benzamide;N-[3-[[5-chloro-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrimidin-2-yl]amino]phenyl]-4-[[(E)-4-(dimethylamino)but-2-enoyl]amino]benzamide;4-[[(E)-4-(dimethylamino)but-2-enoyl]amino]-N-[3-[[4-(1H-indol-3-yl)quinazolin-2-yl]amino]phenyl]benzamide?
The InChIKey is LDIUQYPJNGQWKT-VMSVONBMSA-N. The full InChI is InChI=1S/C35H31N7O2.C32H30ClN7O2.C32H26ClN7O2.4C31H28ClN7O2.C31H29ClN6OS.C30H27ClN8O2.C28H22ClN7O/c1-42(2)20-8-15-32(43)37-24-18-16-23(17-19-24)34(44)38-25-9-7-10-26(21-25)39-35-40-31-14-6-4-12-28(31)33(41-35)29-22-36-30-13-5-3-11-27(29)30;1-39(2)17-7-12-29(41)35-22-15-13-21(14-16-22)31(42)36-23-8-6-9-24(18-23)37-32-34-19-27(33)30(38-32)26-20-40(3)28-11-5-4-10-25(26)28;1-3-40(2)16-8-15-29(41)36-22-10-6-9-21(17-22)31(42)37-23-11-7-12-24(18-23)38-32-35-20-27(33)30(39-32)26-19-34-28-14-5-4-13-25(26)28;1-39(2)17-5-10-28(40)35-21-13-11-20(12-14-21)30(41)36-22-6-3-7-23(18-22)37-31-34-19-26(32)29(38-31)25-8-4-9-27-24(25)15-16-33-27;1-39(2)16-4-7-28(40)35-23-11-8-20(9-12-23)30(41)36-24-5-3-6-25(18-24)37-31-34-19-26(32)29(38-31)22-10-13-27-21(17-22)14-15-33-27;1-39(2)16-4-7-28(40)35-23-12-10-21(11-13-23)30(41)36-24-5-3-6-25(18-24)37-31-34-19-26(32)29(38-31)22-9-8-20-14-15-33-27(20)17-22;1-39(2)16-6-11-28(40)34-22-14-12-20(13-15-22)30(41)35-23-8-5-9-24(18-23)36-31-33-19-25(32)29(38-31)27-17-21-7-3-4-10-26(21)37-27;1-3-40-20(2)15-16-33-22-13-11-21(12-14-22)30(39)36-23-7-6-8-24(17-23)37-31-35-19-27(32)29(38-31)26-18-34-28-10-5-4-9-25(26)28;1-39(2)14-4-7-26(40)35-22-10-8-19(9-11-22)29(41)36-23-5-3-6-24(16-23)37-30-34-18-25(31)27(38-30)21-15-20-12-13-32-28(20)33-17-21;1-3-17(2)33-21-9-7-18(8-10-21)27(37)34-22-5-4-6-23(14-22)35-28-32-16-24(29)25(36-28)20-13-19-11-12-30-26(19)31-15-20/h3-19,21-22,36H,20H2,1-2H3,(H,37,43)(H,38,44)(H,39,40,41);4-16,18-20H,17H2,1-3H3,(H,35,41)(H,36,42)(H,34,37,38);1,4-15,17-20,34H,16H2,2H3,(H,36,41)(H,37,42)(H,35,38,39);3-16,18-19,33H,17H2,1-2H3,(H,35,40)(H,36,41)(H,34,37,38);2*3-15,17-19,33H,16H2,1-2H3,(H,35,40)(H,36,41)(H,34,37,38);3-15,17-19,37H,16H2,1-2H3,(H,34,40)(H,35,41)(H,33,36,38);4-14,17-19,33-34H,2-3,15-16H2,1H3,(H,36,39)(H,35,37,38);3-13,15-18H,14H2,1-2H3,(H,32,33)(H,35,40)(H,36,41)(H,34,37,38);3-16,33H,1-2H2,(H,30,31)(H,34,37)(H,32,35,36)/b15-8+;12-7+;15-8+;10-5+;2*7-4+;11-6+;;7-4+;.
What are the key properties of 4-(buta-1,3-dien-2-ylamino)-N-[3-[[5-chloro-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrimidin-2-yl]amino]phenyl]benzamide;N-[3-[[5-chloro-4-(1H-indol-2-yl)pyrimidin-2-yl]amino]phenyl]-4-[[(E)-4-(dimethylamino)but-2-enoyl]amino]benzamide;N-[3-[[5-chloro-4-(1H-indol-4-yl)pyrimidin-2-yl]amino]phenyl]-4-[[(E)-4-(dimethylamino)but-2-enoyl]amino]benzamide;N-[3-[[5-chloro-4-(1H-indol-5-yl)pyrimidin-2-yl]amino]phenyl]-4-[[(E)-4-(dimethylamino)but-2-enoyl]amino]benzamide;N-[3-[[5-chloro-4-(1H-indol-6-yl)pyrimidin-2-yl]amino]phenyl]-4-[[(E)-4-(dimethylamino)but-2-enoyl]amino]benzamide;N-[3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]phenyl]-4-(3-ethylsulfanylbut-3-enylamino)benzamide;N-[3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]phenyl]-3-[[(E)-4-[ethynyl(methyl)amino]but-2-enoyl]amino]benzamide;N-[3-[[5-chloro-4-(1-methylindol-3-yl)pyrimidin-2-yl]amino]phenyl]-4-[[(E)-4-(dimethylamino)but-2-enoyl]amino]benzamide;N-[3-[[5-chloro-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrimidin-2-yl]amino]phenyl]-4-[[(E)-4-(dimethylamino)but-2-enoyl]amino]benzamide;4-[[(E)-4-(dimethylamino)but-2-enoyl]amino]-N-[3-[[4-(1H-indol-3-yl)quinazolin-2-yl]amino]phenyl]benzamide?
4-(buta-1,3-dien-2-ylamino)-N-[3-[[5-chloro-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrimidin-2-yl]amino]phenyl]benzamide;N-[3-[[5-chloro-4-(1H-indol-2-yl)pyrimidin-2-yl]amino]phenyl]-4-[[(E)-4-(dimethylamino)but-2-enoyl]amino]benzamide;N-[3-[[5-chloro-4-(1H-indol-4-yl)pyrimidin-2-yl]amino]phenyl]-4-[[(E)-4-(dimethylamino)but-2-enoyl]amino]benzamide;N-[3-[[5-chloro-4-(1H-indol-5-yl)pyrimidin-2-yl]amino]phenyl]-4-[[(E)-4-(dimethylamino)but-2-enoyl]amino]benzamide;N-[3-[[5-chloro-4-(1H-indol-6-yl)pyrimidin-2-yl]amino]phenyl]-4-[[(E)-4-(dimethylamino)but-2-enoyl]amino]benzamide;N-[3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]phenyl]-4-(3-ethylsulfanylbut-3-enylamino)benzamide;N-[3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]phenyl]-3-[[(E)-4-[ethynyl(methyl)amino]but-2-enoyl]amino]benzamide;N-[3-[[5-chloro-4-(1-methylindol-3-yl)pyrimidin-2-yl]amino]phenyl]-4-[[(E)-4-(dimethylamino)but-2-enoyl]amino]benzamide;N-[3-[[5-chloro-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrimidin-2-yl]amino]phenyl]-4-[[(E)-4-(dimethylamino)but-2-enoyl]amino]benzamide;4-[[(E)-4-(dimethylamino)but-2-enoyl]amino]-N-[3-[[4-(1H-indol-3-yl)quinazolin-2-yl]amino]phenyl]benzamide has a molecular weight of 5646.26 g/mol, XLogP of 65.63, 91 rotatable bonds, 39 hydrogen bond donors, and 62 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(buta-1,3-dien-2-ylamino)-N-[3-[[5-chloro-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrimidin-2-yl]amino]phenyl]benzamide;N-[3-[[5-chloro-4-(1H-indol-2-yl)pyrimidin-2-yl]amino]phenyl]-4-[[(E)-4-(dimethylamino)but-2-enoyl]amino]benzamide;N-[3-[[5-chloro-4-(1H-indol-4-yl)pyrimidin-2-yl]amino]phenyl]-4-[[(E)-4-(dimethylamino)but-2-enoyl]amino]benzamide;N-[3-[[5-chloro-4-(1H-indol-5-yl)pyrimidin-2-yl]amino]phenyl]-4-[[(E)-4-(dimethylamino)but-2-enoyl]amino]benzamide;N-[3-[[5-chloro-4-(1H-indol-6-yl)pyrimidin-2-yl]amino]phenyl]-4-[[(E)-4-(dimethylamino)but-2-enoyl]amino]benzamide;N-[3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]phenyl]-4-(3-ethylsulfanylbut-3-enylamino)benzamide;N-[3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]phenyl]-3-[[(E)-4-[ethynyl(methyl)amino]but-2-enoyl]amino]benzamide;N-[3-[[5-chloro-4-(1-methylindol-3-yl)pyrimidin-2-yl]amino]phenyl]-4-[[(E)-4-(dimethylamino)but-2-enoyl]amino]benzamide;N-[3-[[5-chloro-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrimidin-2-yl]amino]phenyl]-4-[[(E)-4-(dimethylamino)but-2-enoyl]amino]benzamide;4-[[(E)-4-(dimethylamino)but-2-enoyl]amino]-N-[3-[[4-(1H-indol-3-yl)quinazolin-2-yl]amino]phenyl]benzamide is sourced from PubChem (CID 159317685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).