N-[5-[[4-(3-acetylindol-1-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[[4-(3-ethylindol-1-yl)pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-[3-(methylsulfamoyl)indol-1-yl]pyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-(3-methylsulfonylindol-1-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide;bis(N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-(3-propanoylindol-1-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide);N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-[3-(1H-pyrazol-5-yl)indol-1-yl]pyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-[3-(2H-tetrazol-5-yl)indol-1-yl]pyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-[3-(2H-triazol-4-yl)indol-1-yl]pyrimidin-2-yl]amino]phenyl]prop-2-enamide

C261H301N73O25S2 — CID 160666767

IUPACN-[5-[[4-(3-acetylindol-1-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[[4-(3-ethylindol-1-yl)pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-[3-(methylsulfamoyl)indol-1-yl]pyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-(3-methylsulfonylindol-1-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide;bis(N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-(3-propanoylindol-1-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide);N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-[3-(1H-pyrazol-5-yl)indol-1-yl]pyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-[3-(2H-tetrazol-5-yl)indol-1-yl]pyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-[3-(2H-triazol-4-yl)indol-1-yl]pyrimidin-2-yl]amino]phenyl]prop-2-enamide
SMILESC=CC(=O)Nc1cc(Nc2nccc(-n3cc(-c4ccn[nH]4)c4ccccc43)n2)c(OC)cc1N(C)CCN(C)C.C=CC(=O)Nc1cc(Nc2nccc(-n3cc(-c4cn[nH]n4)c4ccccc43)n2)c(OC)cc1N(C)CCN(C)C.C=CC(=O)Nc1cc(Nc2nccc(-n3cc(-c4nn[nH]n4)c4ccccc43)n2)c(OC)cc1N(C)CCN(C)C.C=CC(=O)Nc1cc(Nc2nccc(-n3cc(C(=O)CC)c4ccccc43)n2)c(OC)cc1N(C)CCN(C)C.C=CC(=O)Nc1cc(Nc2nccc(-n3cc(C(=O)CC)c4ccccc43)n2)c(OC)cc1N(C)CCN(C)C.C=CC(=O)Nc1cc(Nc2nccc(-n3cc(C(C)=O)c4ccccc43)n2)c(OC)cc1N(C)CCN(C)C.C=CC(=O)Nc1cc(Nc2nccc(-n3cc(CC)c4ccccc43)n2)c(OC)cc1N(C)CCN(C)C.C=CC(=O)Nc1cc(Nc2nccc(-n3cc(S(=O)(=O)NC)c4ccccc43)n2)c(OC)cc1N(C)CCN(C)C.C=CC(=O)Nc1cc(Nc2nccc(-n3cc(S(C)(=O)=O)c4ccccc43)n2)c(OC)cc1N(C)CCN(C)C
InChIInChI=1S/C30H33N9O2.2C30H35N7O3.C29H32N10O2.C29H33N7O3.C29H35N7O2.C28H31N11O2.C28H34N8O4S.C28H33N7O4S/c1-6-29(40)33-23-17-24(27(41-5)18-26(23)38(4)16-15-37(2)3)34-30-31-13-12-28(35-30)39-19-21(22-11-14-32-36-22)20-9-7-8-10-25(20)39;2*1-7-26(38)21-19-37(24-12-10-9-11-20(21)24)28-13-14-31-30(34-28)33-23-17-22(32-29(39)8-2)25(18-27(23)40-6)36(5)16-15-35(3)4;1-6-28(40)32-21-15-22(26(41-5)16-25(21)38(4)14-13-37(2)3)33-29-30-12-11-27(34-29)39-18-20(23-17-31-36-35-23)19-9-7-8-10-24(19)39;1-7-28(38)31-22-16-23(26(39-6)17-25(22)35(5)15-14-34(3)4)32-29-30-13-12-27(33-29)36-18-21(19(2)37)20-10-8-9-11-24(20)36;1-7-20-19-36(24-12-10-9-11-21(20)24)27-13-14-30-29(33-27)32-23-17-22(31-28(37)8-2)25(18-26(23)38-6)35(5)16-15-34(3)4;1-6-26(40)30-20-15-21(24(41-5)16-23(20)38(4)14-13-37(2)3)31-28-29-12-11-25(32-28)39-17-19(27-33-35-36-34-27)18-9-7-8-10-22(18)39;1-7-27(37)31-20-16-21(24(40-6)17-23(20)35(5)15-14-34(3)4)32-28-30-13-12-26(33-28)36-18-25(41(38,39)29-2)19-10-8-9-11-22(19)36;1-7-27(36)30-20-16-21(24(39-5)17-23(20)34(4)15-14-33(2)3)31-28-29-13-12-26(32-28)35-18-25(40(6,37)38)19-10-8-9-11-22(19)35/h6-14,17-19H,1,15-16H2,2-5H3,(H,32,36)(H,33,40)(H,31,34,35);2*8-14,17-19H,2,7,15-16H2,1,3-6H3,(H,32,39)(H,31,33,34);6-12,15-18H,1,13-14H2,2-5H3,(H,32,40)(H,30,33,34)(H,31,35,36);7-13,16-18H,1,14-15H2,2-6H3,(H,31,38)(H,30,32,33);8-14,17-19H,2,7,15-16H2,1,3-6H3,(H,31,37)(H,30,32,33);6-12,15-17H,1,13-14H2,2-5H3,(H,30,40)(H,29,31,32)(H,33,34,35,36);7-13,16-18,29H,1,14-15H2,2-6H3,(H,31,37)(H,30,32,33);7-13,16-18H,1,14-15H2,2-6H3,(H,30,36)(H,29,31,32)
InChIKeyRMKDSDCQNNQWMP-UHFFFAOYSA-N
MW4924.90 g/mol
LogP38.27
Rot. Bonds102

About N-[5-[[4-(3-acetylindol-1-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[[4-(3-ethylindol-1-yl)pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-[3-(methylsulfamoyl)indol-1-yl]pyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-(3-methylsulfonylindol-1-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide;bis(N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-(3-propanoylindol-1-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide);N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-[3-(1H-pyrazol-5-yl)indol-1-yl]pyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-[3-(2H-tetrazol-5-yl)indol-1-yl]pyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-[3-(2H-triazol-4-yl)indol-1-yl]pyrimidin-2-yl]amino]phenyl]prop-2-enamide

N-[5-[[4-(3-acetylindol-1-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[[4-(3-ethylindol-1-yl)pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-[3-(methylsulfamoyl)indol-1-yl]pyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-(3-methylsulfonylindol-1-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide;bis(N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-(3-propanoylindol-1-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide);N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-[3-(1H-pyrazol-5-yl)indol-1-yl]pyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-[3-(2H-tetrazol-5-yl)indol-1-yl]pyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-[3-(2H-triazol-4-yl)indol-1-yl]pyrimidin-2-yl]amino]phenyl]prop-2-enamide (PubChem CID 160666767) has the molecular formula C261H301N73O25S2 and a molecular weight of 4924.90 g/mol. Its IUPAC name is N-[5-[[4-(3-acetylindol-1-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[[4-(3-ethylindol-1-yl)pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-[3-(methylsulfamoyl)indol-1-yl]pyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-(3-methylsulfonylindol-1-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide;bis(N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-(3-propanoylindol-1-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide);N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-[3-(1H-pyrazol-5-yl)indol-1-yl]pyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-[3-(2H-tetrazol-5-yl)indol-1-yl]pyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-[3-(2H-triazol-4-yl)indol-1-yl]pyrimidin-2-yl]amino]phenyl]prop-2-enamide.

Molecular Properties

Compound NameN-[5-[[4-(3-acetylindol-1-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[[4-(3-ethylindol-1-yl)pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-[3-(methylsulfamoyl)indol-1-yl]pyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-(3-methylsulfonylindol-1-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide;bis(N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-(3-propanoylindol-1-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide);N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-[3-(1H-pyrazol-5-yl)indol-1-yl]pyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-[3-(2H-tetrazol-5-yl)indol-1-yl]pyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-[3-(2H-triazol-4-yl)indol-1-yl]pyrimidin-2-yl]amino]phenyl]prop-2-enamide
PubChem CID160666767
Molecular FormulaC261H301N73O25S2
Molecular Weight4924.90 g/mol
Exact Mass4921.40
IUPAC NameN-[5-[[4-(3-acetylindol-1-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[[4-(3-ethylindol-1-yl)pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-[3-(methylsulfamoyl)indol-1-yl]pyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-(3-methylsulfonylindol-1-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide;bis(N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-(3-propanoylindol-1-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide);N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-[3-(1H-pyrazol-5-yl)indol-1-yl]pyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-[3-(2H-tetrazol-5-yl)indol-1-yl]pyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-[3-(2H-triazol-4-yl)indol-1-yl]pyrimidin-2-yl]amino]phenyl]prop-2-enamide
SMILESC=CC(=O)Nc1cc(Nc2nccc(-n3cc(-c4ccn[nH]4)c4ccccc43)n2)c(OC)cc1N(C)CCN(C)C.C=CC(=O)Nc1cc(Nc2nccc(-n3cc(-c4cn[nH]n4)c4ccccc43)n2)c(OC)cc1N(C)CCN(C)C.C=CC(=O)Nc1cc(Nc2nccc(-n3cc(-c4nn[nH]n4)c4ccccc43)n2)c(OC)cc1N(C)CCN(C)C.C=CC(=O)Nc1cc(Nc2nccc(-n3cc(C(=O)CC)c4ccccc43)n2)c(OC)cc1N(C)CCN(C)C.C=CC(=O)Nc1cc(Nc2nccc(-n3cc(C(=O)CC)c4ccccc43)n2)c(OC)cc1N(C)CCN(C)C.C=CC(=O)Nc1cc(Nc2nccc(-n3cc(C(C)=O)c4ccccc43)n2)c(OC)cc1N(C)CCN(C)C.C=CC(=O)Nc1cc(Nc2nccc(-n3cc(CC)c4ccccc43)n2)c(OC)cc1N(C)CCN(C)C.C=CC(=O)Nc1cc(Nc2nccc(-n3cc(S(=O)(=O)NC)c4ccccc43)n2)c(OC)cc1N(C)CCN(C)C.C=CC(=O)Nc1cc(Nc2nccc(-n3cc(S(C)(=O)=O)c4ccccc43)n2)c(OC)cc1N(C)CCN(C)C
InChIInChI=1S/C30H33N9O2.2C30H35N7O3.C29H32N10O2.C29H33N7O3.C29H35N7O2.C28H31N11O2.C28H34N8O4S.C28H33N7O4S/c1-6-29(40)33-23-17-24(27(41-5)18-26(23)38(4)16-15-37(2)3)34-30-31-13-12-28(35-30)39-19-21(22-11-14-32-36-22)20-9-7-8-10-25(20)39;2*1-7-26(38)21-19-37(24-12-10-9-11-20(21)24)28-13-14-31-30(34-28)33-23-17-22(32-29(39)8-2)25(18-27(23)40-6)36(5)16-15-35(3)4;1-6-28(40)32-21-15-22(26(41-5)16-25(21)38(4)14-13-37(2)3)33-29-30-12-11-27(34-29)39-18-20(23-17-31-36-35-23)19-9-7-8-10-24(19)39;1-7-28(38)31-22-16-23(26(39-6)17-25(22)35(5)15-14-34(3)4)32-29-30-13-12-27(33-29)36-18-21(19(2)37)20-10-8-9-11-24(20)36;1-7-20-19-36(24-12-10-9-11-21(20)24)27-13-14-30-29(33-27)32-23-17-22(31-28(37)8-2)25(18-26(23)38-6)35(5)16-15-34(3)4;1-6-26(40)30-20-15-21(24(41-5)16-23(20)38(4)14-13-37(2)3)31-28-29-12-11-25(32-28)39-17-19(27-33-35-36-34-27)18-9-7-8-10-22(18)39;1-7-27(37)31-20-16-21(24(40-6)17-23(20)35(5)15-14-34(3)4)32-28-30-13-12-26(33-28)36-18-25(41(38,39)29-2)19-10-8-9-11-22(19)36;1-7-27(36)30-20-16-21(24(39-5)17-23(20)34(4)15-14-33(2)3)31-28-29-13-12-26(32-28)35-18-25(40(6,37)38)19-10-8-9-11-22(19)35/h6-14,17-19H,1,15-16H2,2-5H3,(H,32,36)(H,33,40)(H,31,34,35);2*8-14,17-19H,2,7,15-16H2,1,3-6H3,(H,32,39)(H,31,33,34);6-12,15-18H,1,13-14H2,2-5H3,(H,32,40)(H,30,33,34)(H,31,35,36);7-13,16-18H,1,14-15H2,2-6H3,(H,31,38)(H,30,32,33);8-14,17-19H,2,7,15-16H2,1,3-6H3,(H,31,37)(H,30,32,33);6-12,15-17H,1,13-14H2,2-5H3,(H,30,40)(H,29,31,32)(H,33,34,35,36);7-13,16-18,29H,1,14-15H2,2-6H3,(H,31,37)(H,30,32,33);7-13,16-18H,1,14-15H2,2-6H3,(H,30,36)(H,29,31,32)
InChIKeyRMKDSDCQNNQWMP-UHFFFAOYSA-N
XLogP38.27
TPSA1044.18 Ų
H-Bond Donors22
H-Bond Acceptors85
Rotatable Bonds102
Heavy Atoms361
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004924.90
LogP ≤ 538.27
H-Bond Donors ≤ 522
H-Bond Acceptors ≤ 1085

Analyze N-[5-[[4-(3-acetylindol-1-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[[4-(3-ethylindol-1-yl)pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-[3-(methylsulfamoyl)indol-1-yl]pyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-(3-methylsulfonylindol-1-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide;bis(N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-(3-propanoylindol-1-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide);N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-[3-(1H-pyrazol-5-yl)indol-1-yl]pyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-[3-(2H-tetrazol-5-yl)indol-1-yl]pyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-[3-(2H-triazol-4-yl)indol-1-yl]pyrimidin-2-yl]amino]phenyl]prop-2-enamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[5-[[4-(3-acetylindol-1-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[[4-(3-ethylindol-1-yl)pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-[3-(methylsulfamoyl)indol-1-yl]pyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-(3-methylsulfonylindol-1-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide;bis(N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-(3-propanoylindol-1-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide);N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-[3-(1H-pyrazol-5-yl)indol-1-yl]pyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-[3-(2H-tetrazol-5-yl)indol-1-yl]pyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-[3-(2H-triazol-4-yl)indol-1-yl]pyrimidin-2-yl]amino]phenyl]prop-2-enamide?
The IUPAC name of N-[5-[[4-(3-acetylindol-1-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[[4-(3-ethylindol-1-yl)pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-[3-(methylsulfamoyl)indol-1-yl]pyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-(3-methylsulfonylindol-1-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide;bis(N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-(3-propanoylindol-1-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide);N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-[3-(1H-pyrazol-5-yl)indol-1-yl]pyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-[3-(2H-tetrazol-5-yl)indol-1-yl]pyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-[3-(2H-triazol-4-yl)indol-1-yl]pyrimidin-2-yl]amino]phenyl]prop-2-enamide (CID 160666767) is N-[5-[[4-(3-acetylindol-1-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[[4-(3-ethylindol-1-yl)pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-[3-(methylsulfamoyl)indol-1-yl]pyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-(3-methylsulfonylindol-1-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide;bis(N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-(3-propanoylindol-1-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide);N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-[3-(1H-pyrazol-5-yl)indol-1-yl]pyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-[3-(2H-tetrazol-5-yl)indol-1-yl]pyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-[3-(2H-triazol-4-yl)indol-1-yl]pyrimidin-2-yl]amino]phenyl]prop-2-enamide.
What is the SMILES notation for N-[5-[[4-(3-acetylindol-1-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[[4-(3-ethylindol-1-yl)pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-[3-(methylsulfamoyl)indol-1-yl]pyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-(3-methylsulfonylindol-1-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide;bis(N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-(3-propanoylindol-1-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide);N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-[3-(1H-pyrazol-5-yl)indol-1-yl]pyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-[3-(2H-tetrazol-5-yl)indol-1-yl]pyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-[3-(2H-triazol-4-yl)indol-1-yl]pyrimidin-2-yl]amino]phenyl]prop-2-enamide?
The canonical SMILES for N-[5-[[4-(3-acetylindol-1-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[[4-(3-ethylindol-1-yl)pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-[3-(methylsulfamoyl)indol-1-yl]pyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-(3-methylsulfonylindol-1-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide;bis(N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-(3-propanoylindol-1-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide);N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-[3-(1H-pyrazol-5-yl)indol-1-yl]pyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-[3-(2H-tetrazol-5-yl)indol-1-yl]pyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-[3-(2H-triazol-4-yl)indol-1-yl]pyrimidin-2-yl]amino]phenyl]prop-2-enamide is C=CC(=O)Nc1cc(Nc2nccc(-n3cc(-c4ccn[nH]4)c4ccccc43)n2)c(OC)cc1N(C)CCN(C)C.C=CC(=O)Nc1cc(Nc2nccc(-n3cc(-c4cn[nH]n4)c4ccccc43)n2)c(OC)cc1N(C)CCN(C)C.C=CC(=O)Nc1cc(Nc2nccc(-n3cc(-c4nn[nH]n4)c4ccccc43)n2)c(OC)cc1N(C)CCN(C)C.C=CC(=O)Nc1cc(Nc2nccc(-n3cc(C(=O)CC)c4ccccc43)n2)c(OC)cc1N(C)CCN(C)C.C=CC(=O)Nc1cc(Nc2nccc(-n3cc(C(=O)CC)c4ccccc43)n2)c(OC)cc1N(C)CCN(C)C.C=CC(=O)Nc1cc(Nc2nccc(-n3cc(C(C)=O)c4ccccc43)n2)c(OC)cc1N(C)CCN(C)C.C=CC(=O)Nc1cc(Nc2nccc(-n3cc(CC)c4ccccc43)n2)c(OC)cc1N(C)CCN(C)C.C=CC(=O)Nc1cc(Nc2nccc(-n3cc(S(=O)(=O)NC)c4ccccc43)n2)c(OC)cc1N(C)CCN(C)C.C=CC(=O)Nc1cc(Nc2nccc(-n3cc(S(C)(=O)=O)c4ccccc43)n2)c(OC)cc1N(C)CCN(C)C.
What is the InChIKey of N-[5-[[4-(3-acetylindol-1-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[[4-(3-ethylindol-1-yl)pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-[3-(methylsulfamoyl)indol-1-yl]pyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-(3-methylsulfonylindol-1-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide;bis(N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-(3-propanoylindol-1-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide);N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-[3-(1H-pyrazol-5-yl)indol-1-yl]pyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-[3-(2H-tetrazol-5-yl)indol-1-yl]pyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-[3-(2H-triazol-4-yl)indol-1-yl]pyrimidin-2-yl]amino]phenyl]prop-2-enamide?
The InChIKey is RMKDSDCQNNQWMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33N9O2.2C30H35N7O3.C29H32N10O2.C29H33N7O3.C29H35N7O2.C28H31N11O2.C28H34N8O4S.C28H33N7O4S/c1-6-29(40)33-23-17-24(27(41-5)18-26(23)38(4)16-15-37(2)3)34-30-31-13-12-28(35-30)39-19-21(22-11-14-32-36-22)20-9-7-8-10-25(20)39;2*1-7-26(38)21-19-37(24-12-10-9-11-20(21)24)28-13-14-31-30(34-28)33-23-17-22(32-29(39)8-2)25(18-27(23)40-6)36(5)16-15-35(3)4;1-6-28(40)32-21-15-22(26(41-5)16-25(21)38(4)14-13-37(2)3)33-29-30-12-11-27(34-29)39-18-20(23-17-31-36-35-23)19-9-7-8-10-24(19)39;1-7-28(38)31-22-16-23(26(39-6)17-25(22)35(5)15-14-34(3)4)32-29-30-13-12-27(33-29)36-18-21(19(2)37)20-10-8-9-11-24(20)36;1-7-20-19-36(24-12-10-9-11-21(20)24)27-13-14-30-29(33-27)32-23-17-22(31-28(37)8-2)25(18-26(23)38-6)35(5)16-15-34(3)4;1-6-26(40)30-20-15-21(24(41-5)16-23(20)38(4)14-13-37(2)3)31-28-29-12-11-25(32-28)39-17-19(27-33-35-36-34-27)18-9-7-8-10-22(18)39;1-7-27(37)31-20-16-21(24(40-6)17-23(20)35(5)15-14-34(3)4)32-28-30-13-12-26(33-28)36-18-25(41(38,39)29-2)19-10-8-9-11-22(19)36;1-7-27(36)30-20-16-21(24(39-5)17-23(20)34(4)15-14-33(2)3)31-28-29-13-12-26(32-28)35-18-25(40(6,37)38)19-10-8-9-11-22(19)35/h6-14,17-19H,1,15-16H2,2-5H3,(H,32,36)(H,33,40)(H,31,34,35);2*8-14,17-19H,2,7,15-16H2,1,3-6H3,(H,32,39)(H,31,33,34);6-12,15-18H,1,13-14H2,2-5H3,(H,32,40)(H,30,33,34)(H,31,35,36);7-13,16-18H,1,14-15H2,2-6H3,(H,31,38)(H,30,32,33);8-14,17-19H,2,7,15-16H2,1,3-6H3,(H,31,37)(H,30,32,33);6-12,15-17H,1,13-14H2,2-5H3,(H,30,40)(H,29,31,32)(H,33,34,35,36);7-13,16-18,29H,1,14-15H2,2-6H3,(H,31,37)(H,30,32,33);7-13,16-18H,1,14-15H2,2-6H3,(H,30,36)(H,29,31,32).
What are the key properties of N-[5-[[4-(3-acetylindol-1-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[[4-(3-ethylindol-1-yl)pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-[3-(methylsulfamoyl)indol-1-yl]pyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-(3-methylsulfonylindol-1-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide;bis(N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-(3-propanoylindol-1-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide);N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-[3-(1H-pyrazol-5-yl)indol-1-yl]pyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-[3-(2H-tetrazol-5-yl)indol-1-yl]pyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-[3-(2H-triazol-4-yl)indol-1-yl]pyrimidin-2-yl]amino]phenyl]prop-2-enamide?
N-[5-[[4-(3-acetylindol-1-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[[4-(3-ethylindol-1-yl)pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-[3-(methylsulfamoyl)indol-1-yl]pyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-(3-methylsulfonylindol-1-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide;bis(N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-(3-propanoylindol-1-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide);N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-[3-(1H-pyrazol-5-yl)indol-1-yl]pyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-[3-(2H-tetrazol-5-yl)indol-1-yl]pyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-[3-(2H-triazol-4-yl)indol-1-yl]pyrimidin-2-yl]amino]phenyl]prop-2-enamide has a molecular weight of 4924.90 g/mol, XLogP of 38.27, 102 rotatable bonds, 22 hydrogen bond donors, and 85 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[4-(3-acetylindol-1-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[[4-(3-ethylindol-1-yl)pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-[3-(methylsulfamoyl)indol-1-yl]pyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-(3-methylsulfonylindol-1-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide;bis(N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-(3-propanoylindol-1-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide);N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-[3-(1H-pyrazol-5-yl)indol-1-yl]pyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-[3-(2H-tetrazol-5-yl)indol-1-yl]pyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-[3-(2H-triazol-4-yl)indol-1-yl]pyrimidin-2-yl]amino]phenyl]prop-2-enamide is sourced from PubChem (CID 160666767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).