1-[4-[[2-[4-(4-acetylpiperazin-1-yl)anilino]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexyl]but-3-en-2-one;1-[4-[[2-[4-(cyclohexylmethyl)-3-fluoroanilino]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexyl]but-3-en-2-one;1-[4-[[2-[3-fluoro-4-[(1-methylpiperidin-4-yl)methyl]anilino]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexyl]but-3-en-2-one;1-[4-[[2-[3-fluoro-4-(oxan-4-ylmethyl)anilino]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexyl]but-3-en-2-one;1-[4-[[2-[4-(4-hydroxypiperidin-1-yl)anilino]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexyl]but-3-en-2-one;1-[4-[[2-[2-methoxy-4-(4-methylpiperazin-1-yl)anilino]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexyl]but-3-en-2-one;1-[4-[[2-[4-(4-methoxypiperidin-1-yl)anilino]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexyl]but-3-en-2-one;1-[4-[[2-[3-methyl-4-[(1-methylpiperidin-4-yl)methyl]anilino]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexyl]but-3-en-2-one;1-[4-[[2-[4-[(1-methylpiperidin-4-yl)methyl]anilino]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexyl]but-3-en-2-one

C256H318F3N45O14S9 — CID 157426031

IUPAC1-[4-[[2-[4-(4-acetylpiperazin-1-yl)anilino]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexyl]but-3-en-2-one;1-[4-[[2-[4-(cyclohexylmethyl)-3-fluoroanilino]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexyl]but-3-en-2-one;1-[4-[[2-[3-fluoro-4-[(1-methylpiperidin-4-yl)methyl]anilino]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexyl]but-3-en-2-one;1-[4-[[2-[3-fluoro-4-(oxan-4-ylmethyl)anilino]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexyl]but-3-en-2-one;1-[4-[[2-[4-(4-hydroxypiperidin-1-yl)anilino]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexyl]but-3-en-2-one;1-[4-[[2-[2-methoxy-4-(4-methylpiperazin-1-yl)anilino]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexyl]but-3-en-2-one;1-[4-[[2-[4-(4-methoxypiperidin-1-yl)anilino]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexyl]but-3-en-2-one;1-[4-[[2-[3-methyl-4-[(1-methylpiperidin-4-yl)methyl]anilino]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexyl]but-3-en-2-one;1-[4-[[2-[4-[(1-methylpiperidin-4-yl)methyl]anilino]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexyl]but-3-en-2-one
SMILESC=CC(=O)CC1CCC(Nc2nc(Nc3ccc(CC4CCCCC4)c(F)c3)nc3ccsc23)CC1.C=CC(=O)CC1CCC(Nc2nc(Nc3ccc(CC4CCN(C)CC4)c(C)c3)nc3ccsc23)CC1.C=CC(=O)CC1CCC(Nc2nc(Nc3ccc(CC4CCN(C)CC4)c(F)c3)nc3ccsc23)CC1.C=CC(=O)CC1CCC(Nc2nc(Nc3ccc(CC4CCN(C)CC4)cc3)nc3ccsc23)CC1.C=CC(=O)CC1CCC(Nc2nc(Nc3ccc(CC4CCOCC4)c(F)c3)nc3ccsc23)CC1.C=CC(=O)CC1CCC(Nc2nc(Nc3ccc(N4CCC(O)CC4)cc3)nc3ccsc23)CC1.C=CC(=O)CC1CCC(Nc2nc(Nc3ccc(N4CCC(OC)CC4)cc3)nc3ccsc23)CC1.C=CC(=O)CC1CCC(Nc2nc(Nc3ccc(N4CCN(C(C)=O)CC4)cc3)nc3ccsc23)CC1.C=CC(=O)CC1CCC(Nc2nc(Nc3ccc(N4CCN(C)CC4)cc3OC)nc3ccsc23)CC1
InChIInChI=1S/C30H39N5OS.C29H36FN5OS.C29H35FN4OS.C29H37N5OS.C28H33FN4O2S.C28H36N6O2S.C28H34N6O2S.C28H35N5O2S.C27H33N5O2S/c1-4-26(36)19-21-5-8-24(9-6-21)31-29-28-27(13-16-37-28)33-30(34-29)32-25-10-7-23(20(2)17-25)18-22-11-14-35(3)15-12-22;1-3-24(36)17-19-4-7-22(8-5-19)31-28-27-26(12-15-37-27)33-29(34-28)32-23-9-6-21(25(30)18-23)16-20-10-13-35(2)14-11-20;1-2-24(35)17-20-8-11-22(12-9-20)31-28-27-26(14-15-36-27)33-29(34-28)32-23-13-10-21(25(30)18-23)16-19-6-4-3-5-7-19;1-3-25(35)19-21-6-8-23(9-7-21)30-28-27-26(14-17-36-27)32-29(33-28)31-24-10-4-20(5-11-24)18-22-12-15-34(2)16-13-22;1-2-23(34)16-18-3-6-21(7-4-18)30-27-26-25(11-14-36-26)32-28(33-27)31-22-8-5-20(24(29)17-22)15-19-9-12-35-13-10-19;1-4-22(35)17-19-5-7-20(8-6-19)29-27-26-24(11-16-37-26)31-28(32-27)30-23-10-9-21(18-25(23)36-3)34-14-12-33(2)13-15-34;1-3-24(36)18-20-4-6-21(7-5-20)29-27-26-25(12-17-37-26)31-28(32-27)30-22-8-10-23(11-9-22)34-15-13-33(14-16-34)19(2)35;1-3-23(34)18-19-4-6-20(7-5-19)29-27-26-25(14-17-36-26)31-28(32-27)30-21-8-10-22(11-9-21)33-15-12-24(35-2)13-16-33;1-2-22(33)17-18-3-5-19(6-4-18)28-26-25-24(13-16-35-25)30-27(31-26)29-20-7-9-21(10-8-20)32-14-11-23(34)12-15-32/h4,7,10,13,16-17,21-22,24H,1,5-6,8-9,11-12,14-15,18-19H2,2-3H3,(H2,31,32,33,34);3,6,9,12,15,18-20,22H,1,4-5,7-8,10-11,13-14,16-17H2,2H3,(H2,31,32,33,34);2,10,13-15,18-20,22H,1,3-9,11-12,16-17H2,(H2,31,32,33,34);3-5,10-11,14,17,21-23H,1,6-9,12-13,15-16,18-19H2,2H3,(H2,30,31,32,33);2,5,8,11,14,17-19,21H,1,3-4,6-7,9-10,12-13,15-16H2,(H2,30,31,32,33);4,9-11,16,18-20H,1,5-8,12-15,17H2,2-3H3,(H2,29,30,31,32);3,8-12,17,20-21H,1,4-7,13-16,18H2,2H3,(H2,29,30,31,32);3,8-11,14,17,19-20,24H,1,4-7,12-13,15-16,18H2,2H3,(H2,29,30,31,32);2,7-10,13,16,18-19,23,34H,1,3-6,11-12,14-15,17H2,(H2,28,29,30,31)
InChIKeyBPYWBXPESJRLHS-UHFFFAOYSA-N
MW4595.26 g/mol
LogP56.43
Rot. Bonds79

About 1-[4-[[2-[4-(4-acetylpiperazin-1-yl)anilino]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexyl]but-3-en-2-one;1-[4-[[2-[4-(cyclohexylmethyl)-3-fluoroanilino]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexyl]but-3-en-2-one;1-[4-[[2-[3-fluoro-4-[(1-methylpiperidin-4-yl)methyl]anilino]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexyl]but-3-en-2-one;1-[4-[[2-[3-fluoro-4-(oxan-4-ylmethyl)anilino]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexyl]but-3-en-2-one;1-[4-[[2-[4-(4-hydroxypiperidin-1-yl)anilino]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexyl]but-3-en-2-one;1-[4-[[2-[2-methoxy-4-(4-methylpiperazin-1-yl)anilino]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexyl]but-3-en-2-one;1-[4-[[2-[4-(4-methoxypiperidin-1-yl)anilino]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexyl]but-3-en-2-one;1-[4-[[2-[3-methyl-4-[(1-methylpiperidin-4-yl)methyl]anilino]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexyl]but-3-en-2-one;1-[4-[[2-[4-[(1-methylpiperidin-4-yl)methyl]anilino]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexyl]but-3-en-2-one

1-[4-[[2-[4-(4-acetylpiperazin-1-yl)anilino]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexyl]but-3-en-2-one;1-[4-[[2-[4-(cyclohexylmethyl)-3-fluoroanilino]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexyl]but-3-en-2-one;1-[4-[[2-[3-fluoro-4-[(1-methylpiperidin-4-yl)methyl]anilino]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexyl]but-3-en-2-one;1-[4-[[2-[3-fluoro-4-(oxan-4-ylmethyl)anilino]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexyl]but-3-en-2-one;1-[4-[[2-[4-(4-hydroxypiperidin-1-yl)anilino]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexyl]but-3-en-2-one;1-[4-[[2-[2-methoxy-4-(4-methylpiperazin-1-yl)anilino]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexyl]but-3-en-2-one;1-[4-[[2-[4-(4-methoxypiperidin-1-yl)anilino]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexyl]but-3-en-2-one;1-[4-[[2-[3-methyl-4-[(1-methylpiperidin-4-yl)methyl]anilino]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexyl]but-3-en-2-one;1-[4-[[2-[4-[(1-methylpiperidin-4-yl)methyl]anilino]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexyl]but-3-en-2-one (PubChem CID 157426031) has the molecular formula C256H318F3N45O14S9 and a molecular weight of 4595.26 g/mol. Its IUPAC name is 1-[4-[[2-[4-(4-acetylpiperazin-1-yl)anilino]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexyl]but-3-en-2-one;1-[4-[[2-[4-(cyclohexylmethyl)-3-fluoroanilino]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexyl]but-3-en-2-one;1-[4-[[2-[3-fluoro-4-[(1-methylpiperidin-4-yl)methyl]anilino]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexyl]but-3-en-2-one;1-[4-[[2-[3-fluoro-4-(oxan-4-ylmethyl)anilino]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexyl]but-3-en-2-one;1-[4-[[2-[4-(4-hydroxypiperidin-1-yl)anilino]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexyl]but-3-en-2-one;1-[4-[[2-[2-methoxy-4-(4-methylpiperazin-1-yl)anilino]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexyl]but-3-en-2-one;1-[4-[[2-[4-(4-methoxypiperidin-1-yl)anilino]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexyl]but-3-en-2-one;1-[4-[[2-[3-methyl-4-[(1-methylpiperidin-4-yl)methyl]anilino]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexyl]but-3-en-2-one;1-[4-[[2-[4-[(1-methylpiperidin-4-yl)methyl]anilino]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexyl]but-3-en-2-one.

Molecular Properties

Compound Name1-[4-[[2-[4-(4-acetylpiperazin-1-yl)anilino]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexyl]but-3-en-2-one;1-[4-[[2-[4-(cyclohexylmethyl)-3-fluoroanilino]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexyl]but-3-en-2-one;1-[4-[[2-[3-fluoro-4-[(1-methylpiperidin-4-yl)methyl]anilino]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexyl]but-3-en-2-one;1-[4-[[2-[3-fluoro-4-(oxan-4-ylmethyl)anilino]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexyl]but-3-en-2-one;1-[4-[[2-[4-(4-hydroxypiperidin-1-yl)anilino]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexyl]but-3-en-2-one;1-[4-[[2-[2-methoxy-4-(4-methylpiperazin-1-yl)anilino]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexyl]but-3-en-2-one;1-[4-[[2-[4-(4-methoxypiperidin-1-yl)anilino]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexyl]but-3-en-2-one;1-[4-[[2-[3-methyl-4-[(1-methylpiperidin-4-yl)methyl]anilino]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexyl]but-3-en-2-one;1-[4-[[2-[4-[(1-methylpiperidin-4-yl)methyl]anilino]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexyl]but-3-en-2-one
PubChem CID157426031
Molecular FormulaC256H318F3N45O14S9
Molecular Weight4595.26 g/mol
Exact Mass4591.30
IUPAC Name1-[4-[[2-[4-(4-acetylpiperazin-1-yl)anilino]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexyl]but-3-en-2-one;1-[4-[[2-[4-(cyclohexylmethyl)-3-fluoroanilino]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexyl]but-3-en-2-one;1-[4-[[2-[3-fluoro-4-[(1-methylpiperidin-4-yl)methyl]anilino]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexyl]but-3-en-2-one;1-[4-[[2-[3-fluoro-4-(oxan-4-ylmethyl)anilino]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexyl]but-3-en-2-one;1-[4-[[2-[4-(4-hydroxypiperidin-1-yl)anilino]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexyl]but-3-en-2-one;1-[4-[[2-[2-methoxy-4-(4-methylpiperazin-1-yl)anilino]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexyl]but-3-en-2-one;1-[4-[[2-[4-(4-methoxypiperidin-1-yl)anilino]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexyl]but-3-en-2-one;1-[4-[[2-[3-methyl-4-[(1-methylpiperidin-4-yl)methyl]anilino]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexyl]but-3-en-2-one;1-[4-[[2-[4-[(1-methylpiperidin-4-yl)methyl]anilino]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexyl]but-3-en-2-one
SMILESC=CC(=O)CC1CCC(Nc2nc(Nc3ccc(CC4CCCCC4)c(F)c3)nc3ccsc23)CC1.C=CC(=O)CC1CCC(Nc2nc(Nc3ccc(CC4CCN(C)CC4)c(C)c3)nc3ccsc23)CC1.C=CC(=O)CC1CCC(Nc2nc(Nc3ccc(CC4CCN(C)CC4)c(F)c3)nc3ccsc23)CC1.C=CC(=O)CC1CCC(Nc2nc(Nc3ccc(CC4CCN(C)CC4)cc3)nc3ccsc23)CC1.C=CC(=O)CC1CCC(Nc2nc(Nc3ccc(CC4CCOCC4)c(F)c3)nc3ccsc23)CC1.C=CC(=O)CC1CCC(Nc2nc(Nc3ccc(N4CCC(O)CC4)cc3)nc3ccsc23)CC1.C=CC(=O)CC1CCC(Nc2nc(Nc3ccc(N4CCC(OC)CC4)cc3)nc3ccsc23)CC1.C=CC(=O)CC1CCC(Nc2nc(Nc3ccc(N4CCN(C(C)=O)CC4)cc3)nc3ccsc23)CC1.C=CC(=O)CC1CCC(Nc2nc(Nc3ccc(N4CCN(C)CC4)cc3OC)nc3ccsc23)CC1
InChIInChI=1S/C30H39N5OS.C29H36FN5OS.C29H35FN4OS.C29H37N5OS.C28H33FN4O2S.C28H36N6O2S.C28H34N6O2S.C28H35N5O2S.C27H33N5O2S/c1-4-26(36)19-21-5-8-24(9-6-21)31-29-28-27(13-16-37-28)33-30(34-29)32-25-10-7-23(20(2)17-25)18-22-11-14-35(3)15-12-22;1-3-24(36)17-19-4-7-22(8-5-19)31-28-27-26(12-15-37-27)33-29(34-28)32-23-9-6-21(25(30)18-23)16-20-10-13-35(2)14-11-20;1-2-24(35)17-20-8-11-22(12-9-20)31-28-27-26(14-15-36-27)33-29(34-28)32-23-13-10-21(25(30)18-23)16-19-6-4-3-5-7-19;1-3-25(35)19-21-6-8-23(9-7-21)30-28-27-26(14-17-36-27)32-29(33-28)31-24-10-4-20(5-11-24)18-22-12-15-34(2)16-13-22;1-2-23(34)16-18-3-6-21(7-4-18)30-27-26-25(11-14-36-26)32-28(33-27)31-22-8-5-20(24(29)17-22)15-19-9-12-35-13-10-19;1-4-22(35)17-19-5-7-20(8-6-19)29-27-26-24(11-16-37-26)31-28(32-27)30-23-10-9-21(18-25(23)36-3)34-14-12-33(2)13-15-34;1-3-24(36)18-20-4-6-21(7-5-20)29-27-26-25(12-17-37-26)31-28(32-27)30-22-8-10-23(11-9-22)34-15-13-33(14-16-34)19(2)35;1-3-23(34)18-19-4-6-20(7-5-19)29-27-26-25(14-17-36-26)31-28(32-27)30-21-8-10-22(11-9-21)33-15-12-24(35-2)13-16-33;1-2-22(33)17-18-3-5-19(6-4-18)28-26-25-24(13-16-35-25)30-27(31-26)29-20-7-9-21(10-8-20)32-14-11-23(34)12-15-32/h4,7,10,13,16-17,21-22,24H,1,5-6,8-9,11-12,14-15,18-19H2,2-3H3,(H2,31,32,33,34);3,6,9,12,15,18-20,22H,1,4-5,7-8,10-11,13-14,16-17H2,2H3,(H2,31,32,33,34);2,10,13-15,18-20,22H,1,3-9,11-12,16-17H2,(H2,31,32,33,34);3-5,10-11,14,17,21-23H,1,6-9,12-13,15-16,18-19H2,2H3,(H2,30,31,32,33);2,5,8,11,14,17-19,21H,1,3-4,6-7,9-10,12-13,15-16H2,(H2,30,31,32,33);4,9-11,16,18-20H,1,5-8,12-15,17H2,2-3H3,(H2,29,30,31,32);3,8-12,17,20-21H,1,4-7,13-16,18H2,2H3,(H2,29,30,31,32);3,8-11,14,17,19-20,24H,1,4-7,12-13,15-16,18H2,2H3,(H2,29,30,31,32);2,7-10,13,16,18-19,23,34H,1,3-6,11-12,14-15,17H2,(H2,28,29,30,31)
InChIKeyBPYWBXPESJRLHS-UHFFFAOYSA-N
XLogP56.43
TPSA696.34 Ų
H-Bond Donors19
H-Bond Acceptors67
Rotatable Bonds79
Heavy Atoms327
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004595.26
LogP ≤ 556.43
H-Bond Donors ≤ 519
H-Bond Acceptors ≤ 1067

Analyze 1-[4-[[2-[4-(4-acetylpiperazin-1-yl)anilino]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexyl]but-3-en-2-one;1-[4-[[2-[4-(cyclohexylmethyl)-3-fluoroanilino]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexyl]but-3-en-2-one;1-[4-[[2-[3-fluoro-4-[(1-methylpiperidin-4-yl)methyl]anilino]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexyl]but-3-en-2-one;1-[4-[[2-[3-fluoro-4-(oxan-4-ylmethyl)anilino]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexyl]but-3-en-2-one;1-[4-[[2-[4-(4-hydroxypiperidin-1-yl)anilino]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexyl]but-3-en-2-one;1-[4-[[2-[2-methoxy-4-(4-methylpiperazin-1-yl)anilino]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexyl]but-3-en-2-one;1-[4-[[2-[4-(4-methoxypiperidin-1-yl)anilino]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexyl]but-3-en-2-one;1-[4-[[2-[3-methyl-4-[(1-methylpiperidin-4-yl)methyl]anilino]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexyl]but-3-en-2-one;1-[4-[[2-[4-[(1-methylpiperidin-4-yl)methyl]anilino]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexyl]but-3-en-2-one with MolForge

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Launch Full Analysis

Related Compounds

1-[4-[[2-[3-fluoro-4-[(1-methylpiperidin-4-yl)methyl]anilino]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexyl]but-3-en-2-one
CID 146706689
1-[4-[[2-[3-methyl-4-[(1-methylpiperidin-4-yl)methyl]anilino]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexyl]but-3-en-2-one
CID 157426035
4-[[2-[4-(4-methylpiperazin-1-yl)anilino]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol
CID 156905925
N-[4-[[2-(3-fluoro-4-methoxyanilino)thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexyl]prop-2-enamide
CID 122483203
1-[4-[4-[[5-fluoro-4-[2-methoxy-4-(4-methylpiperazin-1-yl)anilino]pyrimidin-2-yl]amino]-3-methoxyphenyl]piperazin-1-yl]ethanone
CID 118105735
1-[4-[4-[[5-chloro-4-(oxan-4-ylmethylamino)pyrimidin-2-yl]amino]-3-methoxyphenyl]piperazin-1-yl]ethanone
CID 162732578
N-[1-[4-[[4-(cyclopropylamino)thieno[3,2-d]pyrimidin-2-yl]amino]-2-fluorophenyl]piperidin-4-yl]acetamide
CID 25015931
1-[2-[2-[4-(4-acetylpiperazin-1-yl)-2-methoxyanilino]-5-fluoropyrimidin-4-yl]oxyphenyl]but-3-en-2-one
CID 146801377
[4-[4-[[6-(cyclohexylamino)-7H-purin-2-yl]amino]-3-methoxyphenyl]piperazin-1-yl]-(4-methylpiperazin-1-yl)methanone
CID 70692558
2-N-[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]-4-N-(2-methylsulfanylphenyl)thieno[3,2-d]pyrimidine-2,4-diamine
CID 138721124
N-[3-[[2-[2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]anilino]thieno[3,2-d]pyrimidin-4-yl]amino]phenyl]methanesulfonamide
CID 139306238
N-[3-[[2-[3-fluoro-4-[(1-methylpiperidin-4-yl)amino]anilino]thieno[3,2-d]pyrimidin-4-yl]methyl]phenyl]prop-2-enamide
CID 130337656

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[2-[4-(4-acetylpiperazin-1-yl)anilino]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexyl]but-3-en-2-one;1-[4-[[2-[4-(cyclohexylmethyl)-3-fluoroanilino]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexyl]but-3-en-2-one;1-[4-[[2-[3-fluoro-4-[(1-methylpiperidin-4-yl)methyl]anilino]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexyl]but-3-en-2-one;1-[4-[[2-[3-fluoro-4-(oxan-4-ylmethyl)anilino]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexyl]but-3-en-2-one;1-[4-[[2-[4-(4-hydroxypiperidin-1-yl)anilino]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexyl]but-3-en-2-one;1-[4-[[2-[2-methoxy-4-(4-methylpiperazin-1-yl)anilino]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexyl]but-3-en-2-one;1-[4-[[2-[4-(4-methoxypiperidin-1-yl)anilino]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexyl]but-3-en-2-one;1-[4-[[2-[3-methyl-4-[(1-methylpiperidin-4-yl)methyl]anilino]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexyl]but-3-en-2-one;1-[4-[[2-[4-[(1-methylpiperidin-4-yl)methyl]anilino]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexyl]but-3-en-2-one?
The IUPAC name of 1-[4-[[2-[4-(4-acetylpiperazin-1-yl)anilino]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexyl]but-3-en-2-one;1-[4-[[2-[4-(cyclohexylmethyl)-3-fluoroanilino]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexyl]but-3-en-2-one;1-[4-[[2-[3-fluoro-4-[(1-methylpiperidin-4-yl)methyl]anilino]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexyl]but-3-en-2-one;1-[4-[[2-[3-fluoro-4-(oxan-4-ylmethyl)anilino]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexyl]but-3-en-2-one;1-[4-[[2-[4-(4-hydroxypiperidin-1-yl)anilino]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexyl]but-3-en-2-one;1-[4-[[2-[2-methoxy-4-(4-methylpiperazin-1-yl)anilino]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexyl]but-3-en-2-one;1-[4-[[2-[4-(4-methoxypiperidin-1-yl)anilino]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexyl]but-3-en-2-one;1-[4-[[2-[3-methyl-4-[(1-methylpiperidin-4-yl)methyl]anilino]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexyl]but-3-en-2-one;1-[4-[[2-[4-[(1-methylpiperidin-4-yl)methyl]anilino]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexyl]but-3-en-2-one (CID 157426031) is 1-[4-[[2-[4-(4-acetylpiperazin-1-yl)anilino]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexyl]but-3-en-2-one;1-[4-[[2-[4-(cyclohexylmethyl)-3-fluoroanilino]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexyl]but-3-en-2-one;1-[4-[[2-[3-fluoro-4-[(1-methylpiperidin-4-yl)methyl]anilino]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexyl]but-3-en-2-one;1-[4-[[2-[3-fluoro-4-(oxan-4-ylmethyl)anilino]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexyl]but-3-en-2-one;1-[4-[[2-[4-(4-hydroxypiperidin-1-yl)anilino]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexyl]but-3-en-2-one;1-[4-[[2-[2-methoxy-4-(4-methylpiperazin-1-yl)anilino]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexyl]but-3-en-2-one;1-[4-[[2-[4-(4-methoxypiperidin-1-yl)anilino]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexyl]but-3-en-2-one;1-[4-[[2-[3-methyl-4-[(1-methylpiperidin-4-yl)methyl]anilino]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexyl]but-3-en-2-one;1-[4-[[2-[4-[(1-methylpiperidin-4-yl)methyl]anilino]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexyl]but-3-en-2-one.
What is the SMILES notation for 1-[4-[[2-[4-(4-acetylpiperazin-1-yl)anilino]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexyl]but-3-en-2-one;1-[4-[[2-[4-(cyclohexylmethyl)-3-fluoroanilino]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexyl]but-3-en-2-one;1-[4-[[2-[3-fluoro-4-[(1-methylpiperidin-4-yl)methyl]anilino]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexyl]but-3-en-2-one;1-[4-[[2-[3-fluoro-4-(oxan-4-ylmethyl)anilino]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexyl]but-3-en-2-one;1-[4-[[2-[4-(4-hydroxypiperidin-1-yl)anilino]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexyl]but-3-en-2-one;1-[4-[[2-[2-methoxy-4-(4-methylpiperazin-1-yl)anilino]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexyl]but-3-en-2-one;1-[4-[[2-[4-(4-methoxypiperidin-1-yl)anilino]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexyl]but-3-en-2-one;1-[4-[[2-[3-methyl-4-[(1-methylpiperidin-4-yl)methyl]anilino]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexyl]but-3-en-2-one;1-[4-[[2-[4-[(1-methylpiperidin-4-yl)methyl]anilino]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexyl]but-3-en-2-one?
The canonical SMILES for 1-[4-[[2-[4-(4-acetylpiperazin-1-yl)anilino]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexyl]but-3-en-2-one;1-[4-[[2-[4-(cyclohexylmethyl)-3-fluoroanilino]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexyl]but-3-en-2-one;1-[4-[[2-[3-fluoro-4-[(1-methylpiperidin-4-yl)methyl]anilino]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexyl]but-3-en-2-one;1-[4-[[2-[3-fluoro-4-(oxan-4-ylmethyl)anilino]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexyl]but-3-en-2-one;1-[4-[[2-[4-(4-hydroxypiperidin-1-yl)anilino]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexyl]but-3-en-2-one;1-[4-[[2-[2-methoxy-4-(4-methylpiperazin-1-yl)anilino]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexyl]but-3-en-2-one;1-[4-[[2-[4-(4-methoxypiperidin-1-yl)anilino]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexyl]but-3-en-2-one;1-[4-[[2-[3-methyl-4-[(1-methylpiperidin-4-yl)methyl]anilino]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexyl]but-3-en-2-one;1-[4-[[2-[4-[(1-methylpiperidin-4-yl)methyl]anilino]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexyl]but-3-en-2-one is C=CC(=O)CC1CCC(Nc2nc(Nc3ccc(CC4CCCCC4)c(F)c3)nc3ccsc23)CC1.C=CC(=O)CC1CCC(Nc2nc(Nc3ccc(CC4CCN(C)CC4)c(C)c3)nc3ccsc23)CC1.C=CC(=O)CC1CCC(Nc2nc(Nc3ccc(CC4CCN(C)CC4)c(F)c3)nc3ccsc23)CC1.C=CC(=O)CC1CCC(Nc2nc(Nc3ccc(CC4CCN(C)CC4)cc3)nc3ccsc23)CC1.C=CC(=O)CC1CCC(Nc2nc(Nc3ccc(CC4CCOCC4)c(F)c3)nc3ccsc23)CC1.C=CC(=O)CC1CCC(Nc2nc(Nc3ccc(N4CCC(O)CC4)cc3)nc3ccsc23)CC1.C=CC(=O)CC1CCC(Nc2nc(Nc3ccc(N4CCC(OC)CC4)cc3)nc3ccsc23)CC1.C=CC(=O)CC1CCC(Nc2nc(Nc3ccc(N4CCN(C(C)=O)CC4)cc3)nc3ccsc23)CC1.C=CC(=O)CC1CCC(Nc2nc(Nc3ccc(N4CCN(C)CC4)cc3OC)nc3ccsc23)CC1.
What is the InChIKey of 1-[4-[[2-[4-(4-acetylpiperazin-1-yl)anilino]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexyl]but-3-en-2-one;1-[4-[[2-[4-(cyclohexylmethyl)-3-fluoroanilino]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexyl]but-3-en-2-one;1-[4-[[2-[3-fluoro-4-[(1-methylpiperidin-4-yl)methyl]anilino]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexyl]but-3-en-2-one;1-[4-[[2-[3-fluoro-4-(oxan-4-ylmethyl)anilino]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexyl]but-3-en-2-one;1-[4-[[2-[4-(4-hydroxypiperidin-1-yl)anilino]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexyl]but-3-en-2-one;1-[4-[[2-[2-methoxy-4-(4-methylpiperazin-1-yl)anilino]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexyl]but-3-en-2-one;1-[4-[[2-[4-(4-methoxypiperidin-1-yl)anilino]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexyl]but-3-en-2-one;1-[4-[[2-[3-methyl-4-[(1-methylpiperidin-4-yl)methyl]anilino]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexyl]but-3-en-2-one;1-[4-[[2-[4-[(1-methylpiperidin-4-yl)methyl]anilino]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexyl]but-3-en-2-one?
The InChIKey is BPYWBXPESJRLHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H39N5OS.C29H36FN5OS.C29H35FN4OS.C29H37N5OS.C28H33FN4O2S.C28H36N6O2S.C28H34N6O2S.C28H35N5O2S.C27H33N5O2S/c1-4-26(36)19-21-5-8-24(9-6-21)31-29-28-27(13-16-37-28)33-30(34-29)32-25-10-7-23(20(2)17-25)18-22-11-14-35(3)15-12-22;1-3-24(36)17-19-4-7-22(8-5-19)31-28-27-26(12-15-37-27)33-29(34-28)32-23-9-6-21(25(30)18-23)16-20-10-13-35(2)14-11-20;1-2-24(35)17-20-8-11-22(12-9-20)31-28-27-26(14-15-36-27)33-29(34-28)32-23-13-10-21(25(30)18-23)16-19-6-4-3-5-7-19;1-3-25(35)19-21-6-8-23(9-7-21)30-28-27-26(14-17-36-27)32-29(33-28)31-24-10-4-20(5-11-24)18-22-12-15-34(2)16-13-22;1-2-23(34)16-18-3-6-21(7-4-18)30-27-26-25(11-14-36-26)32-28(33-27)31-22-8-5-20(24(29)17-22)15-19-9-12-35-13-10-19;1-4-22(35)17-19-5-7-20(8-6-19)29-27-26-24(11-16-37-26)31-28(32-27)30-23-10-9-21(18-25(23)36-3)34-14-12-33(2)13-15-34;1-3-24(36)18-20-4-6-21(7-5-20)29-27-26-25(12-17-37-26)31-28(32-27)30-22-8-10-23(11-9-22)34-15-13-33(14-16-34)19(2)35;1-3-23(34)18-19-4-6-20(7-5-19)29-27-26-25(14-17-36-26)31-28(32-27)30-21-8-10-22(11-9-21)33-15-12-24(35-2)13-16-33;1-2-22(33)17-18-3-5-19(6-4-18)28-26-25-24(13-16-35-25)30-27(31-26)29-20-7-9-21(10-8-20)32-14-11-23(34)12-15-32/h4,7,10,13,16-17,21-22,24H,1,5-6,8-9,11-12,14-15,18-19H2,2-3H3,(H2,31,32,33,34);3,6,9,12,15,18-20,22H,1,4-5,7-8,10-11,13-14,16-17H2,2H3,(H2,31,32,33,34);2,10,13-15,18-20,22H,1,3-9,11-12,16-17H2,(H2,31,32,33,34);3-5,10-11,14,17,21-23H,1,6-9,12-13,15-16,18-19H2,2H3,(H2,30,31,32,33);2,5,8,11,14,17-19,21H,1,3-4,6-7,9-10,12-13,15-16H2,(H2,30,31,32,33);4,9-11,16,18-20H,1,5-8,12-15,17H2,2-3H3,(H2,29,30,31,32);3,8-12,17,20-21H,1,4-7,13-16,18H2,2H3,(H2,29,30,31,32);3,8-11,14,17,19-20,24H,1,4-7,12-13,15-16,18H2,2H3,(H2,29,30,31,32);2,7-10,13,16,18-19,23,34H,1,3-6,11-12,14-15,17H2,(H2,28,29,30,31).
What are the key properties of 1-[4-[[2-[4-(4-acetylpiperazin-1-yl)anilino]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexyl]but-3-en-2-one;1-[4-[[2-[4-(cyclohexylmethyl)-3-fluoroanilino]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexyl]but-3-en-2-one;1-[4-[[2-[3-fluoro-4-[(1-methylpiperidin-4-yl)methyl]anilino]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexyl]but-3-en-2-one;1-[4-[[2-[3-fluoro-4-(oxan-4-ylmethyl)anilino]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexyl]but-3-en-2-one;1-[4-[[2-[4-(4-hydroxypiperidin-1-yl)anilino]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexyl]but-3-en-2-one;1-[4-[[2-[2-methoxy-4-(4-methylpiperazin-1-yl)anilino]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexyl]but-3-en-2-one;1-[4-[[2-[4-(4-methoxypiperidin-1-yl)anilino]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexyl]but-3-en-2-one;1-[4-[[2-[3-methyl-4-[(1-methylpiperidin-4-yl)methyl]anilino]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexyl]but-3-en-2-one;1-[4-[[2-[4-[(1-methylpiperidin-4-yl)methyl]anilino]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexyl]but-3-en-2-one?
1-[4-[[2-[4-(4-acetylpiperazin-1-yl)anilino]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexyl]but-3-en-2-one;1-[4-[[2-[4-(cyclohexylmethyl)-3-fluoroanilino]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexyl]but-3-en-2-one;1-[4-[[2-[3-fluoro-4-[(1-methylpiperidin-4-yl)methyl]anilino]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexyl]but-3-en-2-one;1-[4-[[2-[3-fluoro-4-(oxan-4-ylmethyl)anilino]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexyl]but-3-en-2-one;1-[4-[[2-[4-(4-hydroxypiperidin-1-yl)anilino]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexyl]but-3-en-2-one;1-[4-[[2-[2-methoxy-4-(4-methylpiperazin-1-yl)anilino]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexyl]but-3-en-2-one;1-[4-[[2-[4-(4-methoxypiperidin-1-yl)anilino]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexyl]but-3-en-2-one;1-[4-[[2-[3-methyl-4-[(1-methylpiperidin-4-yl)methyl]anilino]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexyl]but-3-en-2-one;1-[4-[[2-[4-[(1-methylpiperidin-4-yl)methyl]anilino]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexyl]but-3-en-2-one has a molecular weight of 4595.26 g/mol, XLogP of 56.43, 79 rotatable bonds, 19 hydrogen bond donors, and 67 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[2-[4-(4-acetylpiperazin-1-yl)anilino]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexyl]but-3-en-2-one;1-[4-[[2-[4-(cyclohexylmethyl)-3-fluoroanilino]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexyl]but-3-en-2-one;1-[4-[[2-[3-fluoro-4-[(1-methylpiperidin-4-yl)methyl]anilino]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexyl]but-3-en-2-one;1-[4-[[2-[3-fluoro-4-(oxan-4-ylmethyl)anilino]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexyl]but-3-en-2-one;1-[4-[[2-[4-(4-hydroxypiperidin-1-yl)anilino]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexyl]but-3-en-2-one;1-[4-[[2-[2-methoxy-4-(4-methylpiperazin-1-yl)anilino]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexyl]but-3-en-2-one;1-[4-[[2-[4-(4-methoxypiperidin-1-yl)anilino]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexyl]but-3-en-2-one;1-[4-[[2-[3-methyl-4-[(1-methylpiperidin-4-yl)methyl]anilino]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexyl]but-3-en-2-one;1-[4-[[2-[4-[(1-methylpiperidin-4-yl)methyl]anilino]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexyl]but-3-en-2-one is sourced from PubChem (CID 157426031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).