2-chloro-4-[3-[4-[3-[[ethyl-(1-ethylpiperidin-4-yl)amino]methyl]phenyl]pyrimidin-2-yl]propyl]phenol;2-chloro-4-[3-[4-[3-[[ethyl-(1-propylpiperidin-4-yl)amino]methyl]phenyl]pyrimidin-2-yl]propyl]phenol;2-chloro-4-[3-[4-[3-[[ethyl-[1-(pyridin-4-ylmethyl)piperidin-4-yl]amino]methyl]phenyl]pyrimidin-2-yl]propyl]phenol;N-[[3-[2-[3-(3-chloro-4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-(1-ethylpiperidin-4-yl)methanesulfonamide;N-[[3-[2-[3-(3-chloro-4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-(1-propylpiperidin-4-yl)methanesulfonamide;4-[3-[4-[3-[[ethyl-(1-propylpiperidin-4-yl)amino]methyl]phenyl]pyrimidin-2-yl]propyl]-2-fluorophenol;4-[3-[4-[3-[[ethyl-[1-(pyridin-4-ylmethyl)piperidin-4-yl]amino]methyl]phenyl]pyrimidin-2-yl]propyl]-2-fluorophenol;N-[[2-fluoro-5-[2-[3-(3-fluoro-4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-piperidin-4-ylmethanesulfonamide;N-[[2-fluoro-5-[2-[3-(3-fluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-piperidin-4-ylmethanesulfonamide;N-[[5-[2-[3-(3-fluoro-4-hydroxyphenyl)propyl]pyrimidin-4-yl]-2-methoxyphenyl]methyl]-N-piperidin-4-ylmethanesulfonamide;N-[[5-[2-[3-(3-fluorophenyl)propyl]pyrimidin-4-yl]-2-methoxyphenyl]methyl]-N-piperidin-4-ylmethanesulfonamide;N-[[2-methoxy-5-[2-(3-phenylpropyl)pyrimidin-4-yl]phenyl]methyl]-N-piperidin-4-ylmethanesulfonamide

C345H423Cl5F8N50O26S7 — CID 157488744

IUPAC2-chloro-4-[3-[4-[3-[[ethyl-(1-ethylpiperidin-4-yl)amino]methyl]phenyl]pyrimidin-2-yl]propyl]phenol;2-chloro-4-[3-[4-[3-[[ethyl-(1-propylpiperidin-4-yl)amino]methyl]phenyl]pyrimidin-2-yl]propyl]phenol;2-chloro-4-[3-[4-[3-[[ethyl-[1-(pyridin-4-ylmethyl)piperidin-4-yl]amino]methyl]phenyl]pyrimidin-2-yl]propyl]phenol;N-[[3-[2-[3-(3-chloro-4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-(1-ethylpiperidin-4-yl)methanesulfonamide;N-[[3-[2-[3-(3-chloro-4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-(1-propylpiperidin-4-yl)methanesulfonamide;4-[3-[4-[3-[[ethyl-(1-propylpiperidin-4-yl)amino]methyl]phenyl]pyrimidin-2-yl]propyl]-2-fluorophenol;4-[3-[4-[3-[[ethyl-[1-(pyridin-4-ylmethyl)piperidin-4-yl]amino]methyl]phenyl]pyrimidin-2-yl]propyl]-2-fluorophenol;N-[[2-fluoro-5-[2-[3-(3-fluoro-4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-piperidin-4-ylmethanesulfonamide;N-[[2-fluoro-5-[2-[3-(3-fluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-piperidin-4-ylmethanesulfonamide;N-[[5-[2-[3-(3-fluoro-4-hydroxyphenyl)propyl]pyrimidin-4-yl]-2-methoxyphenyl]methyl]-N-piperidin-4-ylmethanesulfonamide;N-[[5-[2-[3-(3-fluorophenyl)propyl]pyrimidin-4-yl]-2-methoxyphenyl]methyl]-N-piperidin-4-ylmethanesulfonamide;N-[[2-methoxy-5-[2-(3-phenylpropyl)pyrimidin-4-yl]phenyl]methyl]-N-piperidin-4-ylmethanesulfonamide
SMILESCCCN1CCC(N(CC)Cc2cccc(-c3ccnc(CCCc4ccc(O)c(Cl)c4)n3)c2)CC1.CCCN1CCC(N(CC)Cc2cccc(-c3ccnc(CCCc4ccc(O)c(F)c4)n3)c2)CC1.CCCN1CCC(N(Cc2cccc(-c3ccnc(CCCc4ccc(O)c(Cl)c4)n3)c2)S(C)(=O)=O)CC1.CCN(Cc1cccc(-c2ccnc(CCCc3ccc(O)c(Cl)c3)n2)c1)C1CCN(Cc2ccncc2)CC1.CCN(Cc1cccc(-c2ccnc(CCCc3ccc(O)c(F)c3)n2)c1)C1CCN(Cc2ccncc2)CC1.CCN1CCC(N(CC)Cc2cccc(-c3ccnc(CCCc4ccc(O)c(Cl)c4)n3)c2)CC1.CCN1CCC(N(Cc2cccc(-c3ccnc(CCCc4ccc(O)c(Cl)c4)n3)c2)S(C)(=O)=O)CC1.COc1ccc(-c2ccnc(CCCc3ccc(O)c(F)c3)n2)cc1CN(C1CCNCC1)S(C)(=O)=O.COc1ccc(-c2ccnc(CCCc3cccc(F)c3)n2)cc1CN(C1CCNCC1)S(C)(=O)=O.COc1ccc(-c2ccnc(CCCc3ccccc3)n2)cc1CN(C1CCNCC1)S(C)(=O)=O.CS(=O)(=O)N(Cc1cc(-c2ccnc(CCCc3ccc(O)c(F)c3)n2)ccc1F)C1CCNCC1.CS(=O)(=O)N(Cc1cc(-c2ccnc(CCCc3cccc(F)c3)n2)ccc1F)C1CCNCC1
InChIInChI=1S/C33H38ClN5O.C33H38FN5O.C30H39ClN4O.C30H39FN4O.C29H37ClN4O3S.C29H37ClN4O.C28H35ClN4O3S.C27H33FN4O4S.C27H33FN4O3S.C27H34N4O3S.C26H30F2N4O3S.C26H30F2N4O2S/c2*1-2-39(29-14-19-38(20-15-29)23-26-11-16-35-17-12-26)24-27-6-3-7-28(21-27)31-13-18-36-33(37-31)8-4-5-25-9-10-32(40)30(34)22-25;2*1-3-17-34-18-14-26(15-19-34)35(4-2)22-24-8-5-9-25(20-24)28-13-16-32-30(33-28)10-6-7-23-11-12-29(36)27(31)21-23;1-3-16-33-17-13-25(14-18-33)34(38(2,36)37)21-23-7-4-8-24(19-23)27-12-15-31-29(32-27)9-5-6-22-10-11-28(35)26(30)20-22;1-3-33-17-14-25(15-18-33)34(4-2)21-23-8-5-9-24(19-23)27-13-16-31-29(32-27)10-6-7-22-11-12-28(35)26(30)20-22;1-3-32-16-13-24(14-17-32)33(37(2,35)36)20-22-7-4-8-23(18-22)26-12-15-30-28(31-26)9-5-6-21-10-11-27(34)25(29)19-21;1-36-26-9-7-20(17-21(26)18-32(37(2,34)35)22-10-13-29-14-11-22)24-12-15-30-27(31-24)5-3-4-19-6-8-25(33)23(28)16-19;1-35-26-10-9-21(18-22(26)19-32(36(2,33)34)24-11-14-29-15-12-24)25-13-16-30-27(31-25)8-4-6-20-5-3-7-23(28)17-20;1-34-26-12-11-22(19-23(26)20-31(35(2,32)33)24-13-16-28-17-14-24)25-15-18-29-27(30-25)10-6-9-21-7-4-3-5-8-21;1-36(34,35)32(21-9-12-29-13-10-21)17-20-16-19(6-7-22(20)27)24-11-14-30-26(31-24)4-2-3-18-5-8-25(33)23(28)15-18;1-35(33,34)32(23-10-13-29-14-11-23)18-21-17-20(8-9-24(21)28)25-12-15-30-26(31-25)7-3-5-19-4-2-6-22(27)16-19/h2*3,6-7,9-13,16-18,21-22,29,40H,2,4-5,8,14-15,19-20,23-24H2,1H3;2*5,8-9,11-13,16,20-21,26,36H,3-4,6-7,10,14-15,17-19,22H2,1-2H3;4,7-8,10-12,15,19-20,25,35H,3,5-6,9,13-14,16-18,21H2,1-2H3;5,8-9,11-13,16,19-20,25,35H,3-4,6-7,10,14-15,17-18,21H2,1-2H3;4,7-8,10-12,15,18-19,24,34H,3,5-6,9,13-14,16-17,20H2,1-2H3;6-9,12,15-17,22,29,33H,3-5,10-11,13-14,18H2,1-2H3;3,5,7,9-10,13,16-18,24,29H,4,6,8,11-12,14-15,19H2,1-2H3;3-5,7-8,11-12,15,18-19,24,28H,6,9-10,13-14,16-17,20H2,1-2H3;5-8,11,14-16,21,29,33H,2-4,9-10,12-13,17H2,1H3;2,4,6,8-9,12,15-17,23,29H,3,5,7,10-11,13-14,18H2,1H3
InChIKeyBXAFWPYLRHUOOD-UHFFFAOYSA-N
MW6240.22 g/mol
LogP60.49
Rot. Bonds123

About 2-chloro-4-[3-[4-[3-[[ethyl-(1-ethylpiperidin-4-yl)amino]methyl]phenyl]pyrimidin-2-yl]propyl]phenol;2-chloro-4-[3-[4-[3-[[ethyl-(1-propylpiperidin-4-yl)amino]methyl]phenyl]pyrimidin-2-yl]propyl]phenol;2-chloro-4-[3-[4-[3-[[ethyl-[1-(pyridin-4-ylmethyl)piperidin-4-yl]amino]methyl]phenyl]pyrimidin-2-yl]propyl]phenol;N-[[3-[2-[3-(3-chloro-4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-(1-ethylpiperidin-4-yl)methanesulfonamide;N-[[3-[2-[3-(3-chloro-4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-(1-propylpiperidin-4-yl)methanesulfonamide;4-[3-[4-[3-[[ethyl-(1-propylpiperidin-4-yl)amino]methyl]phenyl]pyrimidin-2-yl]propyl]-2-fluorophenol;4-[3-[4-[3-[[ethyl-[1-(pyridin-4-ylmethyl)piperidin-4-yl]amino]methyl]phenyl]pyrimidin-2-yl]propyl]-2-fluorophenol;N-[[2-fluoro-5-[2-[3-(3-fluoro-4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-piperidin-4-ylmethanesulfonamide;N-[[2-fluoro-5-[2-[3-(3-fluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-piperidin-4-ylmethanesulfonamide;N-[[5-[2-[3-(3-fluoro-4-hydroxyphenyl)propyl]pyrimidin-4-yl]-2-methoxyphenyl]methyl]-N-piperidin-4-ylmethanesulfonamide;N-[[5-[2-[3-(3-fluorophenyl)propyl]pyrimidin-4-yl]-2-methoxyphenyl]methyl]-N-piperidin-4-ylmethanesulfonamide;N-[[2-methoxy-5-[2-(3-phenylpropyl)pyrimidin-4-yl]phenyl]methyl]-N-piperidin-4-ylmethanesulfonamide

2-chloro-4-[3-[4-[3-[[ethyl-(1-ethylpiperidin-4-yl)amino]methyl]phenyl]pyrimidin-2-yl]propyl]phenol;2-chloro-4-[3-[4-[3-[[ethyl-(1-propylpiperidin-4-yl)amino]methyl]phenyl]pyrimidin-2-yl]propyl]phenol;2-chloro-4-[3-[4-[3-[[ethyl-[1-(pyridin-4-ylmethyl)piperidin-4-yl]amino]methyl]phenyl]pyrimidin-2-yl]propyl]phenol;N-[[3-[2-[3-(3-chloro-4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-(1-ethylpiperidin-4-yl)methanesulfonamide;N-[[3-[2-[3-(3-chloro-4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-(1-propylpiperidin-4-yl)methanesulfonamide;4-[3-[4-[3-[[ethyl-(1-propylpiperidin-4-yl)amino]methyl]phenyl]pyrimidin-2-yl]propyl]-2-fluorophenol;4-[3-[4-[3-[[ethyl-[1-(pyridin-4-ylmethyl)piperidin-4-yl]amino]methyl]phenyl]pyrimidin-2-yl]propyl]-2-fluorophenol;N-[[2-fluoro-5-[2-[3-(3-fluoro-4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-piperidin-4-ylmethanesulfonamide;N-[[2-fluoro-5-[2-[3-(3-fluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-piperidin-4-ylmethanesulfonamide;N-[[5-[2-[3-(3-fluoro-4-hydroxyphenyl)propyl]pyrimidin-4-yl]-2-methoxyphenyl]methyl]-N-piperidin-4-ylmethanesulfonamide;N-[[5-[2-[3-(3-fluorophenyl)propyl]pyrimidin-4-yl]-2-methoxyphenyl]methyl]-N-piperidin-4-ylmethanesulfonamide;N-[[2-methoxy-5-[2-(3-phenylpropyl)pyrimidin-4-yl]phenyl]methyl]-N-piperidin-4-ylmethanesulfonamide (PubChem CID 157488744) has the molecular formula C345H423Cl5F8N50O26S7 and a molecular weight of 6240.22 g/mol. Its IUPAC name is 2-chloro-4-[3-[4-[3-[[ethyl-(1-ethylpiperidin-4-yl)amino]methyl]phenyl]pyrimidin-2-yl]propyl]phenol;2-chloro-4-[3-[4-[3-[[ethyl-(1-propylpiperidin-4-yl)amino]methyl]phenyl]pyrimidin-2-yl]propyl]phenol;2-chloro-4-[3-[4-[3-[[ethyl-[1-(pyridin-4-ylmethyl)piperidin-4-yl]amino]methyl]phenyl]pyrimidin-2-yl]propyl]phenol;N-[[3-[2-[3-(3-chloro-4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-(1-ethylpiperidin-4-yl)methanesulfonamide;N-[[3-[2-[3-(3-chloro-4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-(1-propylpiperidin-4-yl)methanesulfonamide;4-[3-[4-[3-[[ethyl-(1-propylpiperidin-4-yl)amino]methyl]phenyl]pyrimidin-2-yl]propyl]-2-fluorophenol;4-[3-[4-[3-[[ethyl-[1-(pyridin-4-ylmethyl)piperidin-4-yl]amino]methyl]phenyl]pyrimidin-2-yl]propyl]-2-fluorophenol;N-[[2-fluoro-5-[2-[3-(3-fluoro-4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-piperidin-4-ylmethanesulfonamide;N-[[2-fluoro-5-[2-[3-(3-fluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-piperidin-4-ylmethanesulfonamide;N-[[5-[2-[3-(3-fluoro-4-hydroxyphenyl)propyl]pyrimidin-4-yl]-2-methoxyphenyl]methyl]-N-piperidin-4-ylmethanesulfonamide;N-[[5-[2-[3-(3-fluorophenyl)propyl]pyrimidin-4-yl]-2-methoxyphenyl]methyl]-N-piperidin-4-ylmethanesulfonamide;N-[[2-methoxy-5-[2-(3-phenylpropyl)pyrimidin-4-yl]phenyl]methyl]-N-piperidin-4-ylmethanesulfonamide.

Molecular Properties

Compound Name2-chloro-4-[3-[4-[3-[[ethyl-(1-ethylpiperidin-4-yl)amino]methyl]phenyl]pyrimidin-2-yl]propyl]phenol;2-chloro-4-[3-[4-[3-[[ethyl-(1-propylpiperidin-4-yl)amino]methyl]phenyl]pyrimidin-2-yl]propyl]phenol;2-chloro-4-[3-[4-[3-[[ethyl-[1-(pyridin-4-ylmethyl)piperidin-4-yl]amino]methyl]phenyl]pyrimidin-2-yl]propyl]phenol;N-[[3-[2-[3-(3-chloro-4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-(1-ethylpiperidin-4-yl)methanesulfonamide;N-[[3-[2-[3-(3-chloro-4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-(1-propylpiperidin-4-yl)methanesulfonamide;4-[3-[4-[3-[[ethyl-(1-propylpiperidin-4-yl)amino]methyl]phenyl]pyrimidin-2-yl]propyl]-2-fluorophenol;4-[3-[4-[3-[[ethyl-[1-(pyridin-4-ylmethyl)piperidin-4-yl]amino]methyl]phenyl]pyrimidin-2-yl]propyl]-2-fluorophenol;N-[[2-fluoro-5-[2-[3-(3-fluoro-4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-piperidin-4-ylmethanesulfonamide;N-[[2-fluoro-5-[2-[3-(3-fluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-piperidin-4-ylmethanesulfonamide;N-[[5-[2-[3-(3-fluoro-4-hydroxyphenyl)propyl]pyrimidin-4-yl]-2-methoxyphenyl]methyl]-N-piperidin-4-ylmethanesulfonamide;N-[[5-[2-[3-(3-fluorophenyl)propyl]pyrimidin-4-yl]-2-methoxyphenyl]methyl]-N-piperidin-4-ylmethanesulfonamide;N-[[2-methoxy-5-[2-(3-phenylpropyl)pyrimidin-4-yl]phenyl]methyl]-N-piperidin-4-ylmethanesulfonamide
PubChem CID157488744
Molecular FormulaC345H423Cl5F8N50O26S7
Molecular Weight6240.22 g/mol
Exact Mass6232.97
IUPAC Name2-chloro-4-[3-[4-[3-[[ethyl-(1-ethylpiperidin-4-yl)amino]methyl]phenyl]pyrimidin-2-yl]propyl]phenol;2-chloro-4-[3-[4-[3-[[ethyl-(1-propylpiperidin-4-yl)amino]methyl]phenyl]pyrimidin-2-yl]propyl]phenol;2-chloro-4-[3-[4-[3-[[ethyl-[1-(pyridin-4-ylmethyl)piperidin-4-yl]amino]methyl]phenyl]pyrimidin-2-yl]propyl]phenol;N-[[3-[2-[3-(3-chloro-4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-(1-ethylpiperidin-4-yl)methanesulfonamide;N-[[3-[2-[3-(3-chloro-4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-(1-propylpiperidin-4-yl)methanesulfonamide;4-[3-[4-[3-[[ethyl-(1-propylpiperidin-4-yl)amino]methyl]phenyl]pyrimidin-2-yl]propyl]-2-fluorophenol;4-[3-[4-[3-[[ethyl-[1-(pyridin-4-ylmethyl)piperidin-4-yl]amino]methyl]phenyl]pyrimidin-2-yl]propyl]-2-fluorophenol;N-[[2-fluoro-5-[2-[3-(3-fluoro-4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-piperidin-4-ylmethanesulfonamide;N-[[2-fluoro-5-[2-[3-(3-fluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-piperidin-4-ylmethanesulfonamide;N-[[5-[2-[3-(3-fluoro-4-hydroxyphenyl)propyl]pyrimidin-4-yl]-2-methoxyphenyl]methyl]-N-piperidin-4-ylmethanesulfonamide;N-[[5-[2-[3-(3-fluorophenyl)propyl]pyrimidin-4-yl]-2-methoxyphenyl]methyl]-N-piperidin-4-ylmethanesulfonamide;N-[[2-methoxy-5-[2-(3-phenylpropyl)pyrimidin-4-yl]phenyl]methyl]-N-piperidin-4-ylmethanesulfonamide
SMILESCCCN1CCC(N(CC)Cc2cccc(-c3ccnc(CCCc4ccc(O)c(Cl)c4)n3)c2)CC1.CCCN1CCC(N(CC)Cc2cccc(-c3ccnc(CCCc4ccc(O)c(F)c4)n3)c2)CC1.CCCN1CCC(N(Cc2cccc(-c3ccnc(CCCc4ccc(O)c(Cl)c4)n3)c2)S(C)(=O)=O)CC1.CCN(Cc1cccc(-c2ccnc(CCCc3ccc(O)c(Cl)c3)n2)c1)C1CCN(Cc2ccncc2)CC1.CCN(Cc1cccc(-c2ccnc(CCCc3ccc(O)c(F)c3)n2)c1)C1CCN(Cc2ccncc2)CC1.CCN1CCC(N(CC)Cc2cccc(-c3ccnc(CCCc4ccc(O)c(Cl)c4)n3)c2)CC1.CCN1CCC(N(Cc2cccc(-c3ccnc(CCCc4ccc(O)c(Cl)c4)n3)c2)S(C)(=O)=O)CC1.COc1ccc(-c2ccnc(CCCc3ccc(O)c(F)c3)n2)cc1CN(C1CCNCC1)S(C)(=O)=O.COc1ccc(-c2ccnc(CCCc3cccc(F)c3)n2)cc1CN(C1CCNCC1)S(C)(=O)=O.COc1ccc(-c2ccnc(CCCc3ccccc3)n2)cc1CN(C1CCNCC1)S(C)(=O)=O.CS(=O)(=O)N(Cc1cc(-c2ccnc(CCCc3ccc(O)c(F)c3)n2)ccc1F)C1CCNCC1.CS(=O)(=O)N(Cc1cc(-c2ccnc(CCCc3cccc(F)c3)n2)ccc1F)C1CCNCC1
InChIInChI=1S/C33H38ClN5O.C33H38FN5O.C30H39ClN4O.C30H39FN4O.C29H37ClN4O3S.C29H37ClN4O.C28H35ClN4O3S.C27H33FN4O4S.C27H33FN4O3S.C27H34N4O3S.C26H30F2N4O3S.C26H30F2N4O2S/c2*1-2-39(29-14-19-38(20-15-29)23-26-11-16-35-17-12-26)24-27-6-3-7-28(21-27)31-13-18-36-33(37-31)8-4-5-25-9-10-32(40)30(34)22-25;2*1-3-17-34-18-14-26(15-19-34)35(4-2)22-24-8-5-9-25(20-24)28-13-16-32-30(33-28)10-6-7-23-11-12-29(36)27(31)21-23;1-3-16-33-17-13-25(14-18-33)34(38(2,36)37)21-23-7-4-8-24(19-23)27-12-15-31-29(32-27)9-5-6-22-10-11-28(35)26(30)20-22;1-3-33-17-14-25(15-18-33)34(4-2)21-23-8-5-9-24(19-23)27-13-16-31-29(32-27)10-6-7-22-11-12-28(35)26(30)20-22;1-3-32-16-13-24(14-17-32)33(37(2,35)36)20-22-7-4-8-23(18-22)26-12-15-30-28(31-26)9-5-6-21-10-11-27(34)25(29)19-21;1-36-26-9-7-20(17-21(26)18-32(37(2,34)35)22-10-13-29-14-11-22)24-12-15-30-27(31-24)5-3-4-19-6-8-25(33)23(28)16-19;1-35-26-10-9-21(18-22(26)19-32(36(2,33)34)24-11-14-29-15-12-24)25-13-16-30-27(31-25)8-4-6-20-5-3-7-23(28)17-20;1-34-26-12-11-22(19-23(26)20-31(35(2,32)33)24-13-16-28-17-14-24)25-15-18-29-27(30-25)10-6-9-21-7-4-3-5-8-21;1-36(34,35)32(21-9-12-29-13-10-21)17-20-16-19(6-7-22(20)27)24-11-14-30-26(31-24)4-2-3-18-5-8-25(33)23(28)15-18;1-35(33,34)32(23-10-13-29-14-11-23)18-21-17-20(8-9-24(21)28)25-12-15-30-26(31-25)7-3-5-19-4-2-6-22(27)16-19/h2*3,6-7,9-13,16-18,21-22,29,40H,2,4-5,8,14-15,19-20,23-24H2,1H3;2*5,8-9,11-13,16,20-21,26,36H,3-4,6-7,10,14-15,17-19,22H2,1-2H3;4,7-8,10-12,15,19-20,25,35H,3,5-6,9,13-14,16-18,21H2,1-2H3;5,8-9,11-13,16,19-20,25,35H,3-4,6-7,10,14-15,17-18,21H2,1-2H3;4,7-8,10-12,15,18-19,24,34H,3,5-6,9,13-14,16-17,20H2,1-2H3;6-9,12,15-17,22,29,33H,3-5,10-11,13-14,18H2,1-2H3;3,5,7,9-10,13,16-18,24,29H,4,6,8,11-12,14-15,19H2,1-2H3;3-5,7-8,11-12,15,18-19,24,28H,6,9-10,13-14,16-17,20H2,1-2H3;5-8,11,14-16,21,29,33H,2-4,9-10,12-13,17H2,1H3;2,4,6,8-9,12,15-17,23,29H,3,5,7,10-11,13-14,18H2,1H3
InChIKeyBXAFWPYLRHUOOD-UHFFFAOYSA-N
XLogP60.49
TPSA905.59 Ų
H-Bond Donors14
H-Bond Acceptors69
Rotatable Bonds123
Heavy Atoms441
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5006240.22
LogP ≤ 560.49
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1069

Analyze 2-chloro-4-[3-[4-[3-[[ethyl-(1-ethylpiperidin-4-yl)amino]methyl]phenyl]pyrimidin-2-yl]propyl]phenol;2-chloro-4-[3-[4-[3-[[ethyl-(1-propylpiperidin-4-yl)amino]methyl]phenyl]pyrimidin-2-yl]propyl]phenol;2-chloro-4-[3-[4-[3-[[ethyl-[1-(pyridin-4-ylmethyl)piperidin-4-yl]amino]methyl]phenyl]pyrimidin-2-yl]propyl]phenol;N-[[3-[2-[3-(3-chloro-4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-(1-ethylpiperidin-4-yl)methanesulfonamide;N-[[3-[2-[3-(3-chloro-4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-(1-propylpiperidin-4-yl)methanesulfonamide;4-[3-[4-[3-[[ethyl-(1-propylpiperidin-4-yl)amino]methyl]phenyl]pyrimidin-2-yl]propyl]-2-fluorophenol;4-[3-[4-[3-[[ethyl-[1-(pyridin-4-ylmethyl)piperidin-4-yl]amino]methyl]phenyl]pyrimidin-2-yl]propyl]-2-fluorophenol;N-[[2-fluoro-5-[2-[3-(3-fluoro-4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-piperidin-4-ylmethanesulfonamide;N-[[2-fluoro-5-[2-[3-(3-fluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-piperidin-4-ylmethanesulfonamide;N-[[5-[2-[3-(3-fluoro-4-hydroxyphenyl)propyl]pyrimidin-4-yl]-2-methoxyphenyl]methyl]-N-piperidin-4-ylmethanesulfonamide;N-[[5-[2-[3-(3-fluorophenyl)propyl]pyrimidin-4-yl]-2-methoxyphenyl]methyl]-N-piperidin-4-ylmethanesulfonamide;N-[[2-methoxy-5-[2-(3-phenylpropyl)pyrimidin-4-yl]phenyl]methyl]-N-piperidin-4-ylmethanesulfonamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[3-[4-[3-[[ethyl-(1-ethylpiperidin-4-yl)amino]methyl]phenyl]pyrimidin-2-yl]propyl]phenol;2-chloro-4-[3-[4-[3-[[ethyl-(1-propylpiperidin-4-yl)amino]methyl]phenyl]pyrimidin-2-yl]propyl]phenol;2-chloro-4-[3-[4-[3-[[ethyl-[1-(pyridin-4-ylmethyl)piperidin-4-yl]amino]methyl]phenyl]pyrimidin-2-yl]propyl]phenol;N-[[3-[2-[3-(3-chloro-4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-(1-ethylpiperidin-4-yl)methanesulfonamide;N-[[3-[2-[3-(3-chloro-4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-(1-propylpiperidin-4-yl)methanesulfonamide;4-[3-[4-[3-[[ethyl-(1-propylpiperidin-4-yl)amino]methyl]phenyl]pyrimidin-2-yl]propyl]-2-fluorophenol;4-[3-[4-[3-[[ethyl-[1-(pyridin-4-ylmethyl)piperidin-4-yl]amino]methyl]phenyl]pyrimidin-2-yl]propyl]-2-fluorophenol;N-[[2-fluoro-5-[2-[3-(3-fluoro-4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-piperidin-4-ylmethanesulfonamide;N-[[2-fluoro-5-[2-[3-(3-fluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-piperidin-4-ylmethanesulfonamide;N-[[5-[2-[3-(3-fluoro-4-hydroxyphenyl)propyl]pyrimidin-4-yl]-2-methoxyphenyl]methyl]-N-piperidin-4-ylmethanesulfonamide;N-[[5-[2-[3-(3-fluorophenyl)propyl]pyrimidin-4-yl]-2-methoxyphenyl]methyl]-N-piperidin-4-ylmethanesulfonamide;N-[[2-methoxy-5-[2-(3-phenylpropyl)pyrimidin-4-yl]phenyl]methyl]-N-piperidin-4-ylmethanesulfonamide?
The IUPAC name of 2-chloro-4-[3-[4-[3-[[ethyl-(1-ethylpiperidin-4-yl)amino]methyl]phenyl]pyrimidin-2-yl]propyl]phenol;2-chloro-4-[3-[4-[3-[[ethyl-(1-propylpiperidin-4-yl)amino]methyl]phenyl]pyrimidin-2-yl]propyl]phenol;2-chloro-4-[3-[4-[3-[[ethyl-[1-(pyridin-4-ylmethyl)piperidin-4-yl]amino]methyl]phenyl]pyrimidin-2-yl]propyl]phenol;N-[[3-[2-[3-(3-chloro-4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-(1-ethylpiperidin-4-yl)methanesulfonamide;N-[[3-[2-[3-(3-chloro-4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-(1-propylpiperidin-4-yl)methanesulfonamide;4-[3-[4-[3-[[ethyl-(1-propylpiperidin-4-yl)amino]methyl]phenyl]pyrimidin-2-yl]propyl]-2-fluorophenol;4-[3-[4-[3-[[ethyl-[1-(pyridin-4-ylmethyl)piperidin-4-yl]amino]methyl]phenyl]pyrimidin-2-yl]propyl]-2-fluorophenol;N-[[2-fluoro-5-[2-[3-(3-fluoro-4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-piperidin-4-ylmethanesulfonamide;N-[[2-fluoro-5-[2-[3-(3-fluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-piperidin-4-ylmethanesulfonamide;N-[[5-[2-[3-(3-fluoro-4-hydroxyphenyl)propyl]pyrimidin-4-yl]-2-methoxyphenyl]methyl]-N-piperidin-4-ylmethanesulfonamide;N-[[5-[2-[3-(3-fluorophenyl)propyl]pyrimidin-4-yl]-2-methoxyphenyl]methyl]-N-piperidin-4-ylmethanesulfonamide;N-[[2-methoxy-5-[2-(3-phenylpropyl)pyrimidin-4-yl]phenyl]methyl]-N-piperidin-4-ylmethanesulfonamide (CID 157488744) is 2-chloro-4-[3-[4-[3-[[ethyl-(1-ethylpiperidin-4-yl)amino]methyl]phenyl]pyrimidin-2-yl]propyl]phenol;2-chloro-4-[3-[4-[3-[[ethyl-(1-propylpiperidin-4-yl)amino]methyl]phenyl]pyrimidin-2-yl]propyl]phenol;2-chloro-4-[3-[4-[3-[[ethyl-[1-(pyridin-4-ylmethyl)piperidin-4-yl]amino]methyl]phenyl]pyrimidin-2-yl]propyl]phenol;N-[[3-[2-[3-(3-chloro-4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-(1-ethylpiperidin-4-yl)methanesulfonamide;N-[[3-[2-[3-(3-chloro-4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-(1-propylpiperidin-4-yl)methanesulfonamide;4-[3-[4-[3-[[ethyl-(1-propylpiperidin-4-yl)amino]methyl]phenyl]pyrimidin-2-yl]propyl]-2-fluorophenol;4-[3-[4-[3-[[ethyl-[1-(pyridin-4-ylmethyl)piperidin-4-yl]amino]methyl]phenyl]pyrimidin-2-yl]propyl]-2-fluorophenol;N-[[2-fluoro-5-[2-[3-(3-fluoro-4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-piperidin-4-ylmethanesulfonamide;N-[[2-fluoro-5-[2-[3-(3-fluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-piperidin-4-ylmethanesulfonamide;N-[[5-[2-[3-(3-fluoro-4-hydroxyphenyl)propyl]pyrimidin-4-yl]-2-methoxyphenyl]methyl]-N-piperidin-4-ylmethanesulfonamide;N-[[5-[2-[3-(3-fluorophenyl)propyl]pyrimidin-4-yl]-2-methoxyphenyl]methyl]-N-piperidin-4-ylmethanesulfonamide;N-[[2-methoxy-5-[2-(3-phenylpropyl)pyrimidin-4-yl]phenyl]methyl]-N-piperidin-4-ylmethanesulfonamide.
What is the SMILES notation for 2-chloro-4-[3-[4-[3-[[ethyl-(1-ethylpiperidin-4-yl)amino]methyl]phenyl]pyrimidin-2-yl]propyl]phenol;2-chloro-4-[3-[4-[3-[[ethyl-(1-propylpiperidin-4-yl)amino]methyl]phenyl]pyrimidin-2-yl]propyl]phenol;2-chloro-4-[3-[4-[3-[[ethyl-[1-(pyridin-4-ylmethyl)piperidin-4-yl]amino]methyl]phenyl]pyrimidin-2-yl]propyl]phenol;N-[[3-[2-[3-(3-chloro-4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-(1-ethylpiperidin-4-yl)methanesulfonamide;N-[[3-[2-[3-(3-chloro-4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-(1-propylpiperidin-4-yl)methanesulfonamide;4-[3-[4-[3-[[ethyl-(1-propylpiperidin-4-yl)amino]methyl]phenyl]pyrimidin-2-yl]propyl]-2-fluorophenol;4-[3-[4-[3-[[ethyl-[1-(pyridin-4-ylmethyl)piperidin-4-yl]amino]methyl]phenyl]pyrimidin-2-yl]propyl]-2-fluorophenol;N-[[2-fluoro-5-[2-[3-(3-fluoro-4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-piperidin-4-ylmethanesulfonamide;N-[[2-fluoro-5-[2-[3-(3-fluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-piperidin-4-ylmethanesulfonamide;N-[[5-[2-[3-(3-fluoro-4-hydroxyphenyl)propyl]pyrimidin-4-yl]-2-methoxyphenyl]methyl]-N-piperidin-4-ylmethanesulfonamide;N-[[5-[2-[3-(3-fluorophenyl)propyl]pyrimidin-4-yl]-2-methoxyphenyl]methyl]-N-piperidin-4-ylmethanesulfonamide;N-[[2-methoxy-5-[2-(3-phenylpropyl)pyrimidin-4-yl]phenyl]methyl]-N-piperidin-4-ylmethanesulfonamide?
The canonical SMILES for 2-chloro-4-[3-[4-[3-[[ethyl-(1-ethylpiperidin-4-yl)amino]methyl]phenyl]pyrimidin-2-yl]propyl]phenol;2-chloro-4-[3-[4-[3-[[ethyl-(1-propylpiperidin-4-yl)amino]methyl]phenyl]pyrimidin-2-yl]propyl]phenol;2-chloro-4-[3-[4-[3-[[ethyl-[1-(pyridin-4-ylmethyl)piperidin-4-yl]amino]methyl]phenyl]pyrimidin-2-yl]propyl]phenol;N-[[3-[2-[3-(3-chloro-4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-(1-ethylpiperidin-4-yl)methanesulfonamide;N-[[3-[2-[3-(3-chloro-4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-(1-propylpiperidin-4-yl)methanesulfonamide;4-[3-[4-[3-[[ethyl-(1-propylpiperidin-4-yl)amino]methyl]phenyl]pyrimidin-2-yl]propyl]-2-fluorophenol;4-[3-[4-[3-[[ethyl-[1-(pyridin-4-ylmethyl)piperidin-4-yl]amino]methyl]phenyl]pyrimidin-2-yl]propyl]-2-fluorophenol;N-[[2-fluoro-5-[2-[3-(3-fluoro-4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-piperidin-4-ylmethanesulfonamide;N-[[2-fluoro-5-[2-[3-(3-fluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-piperidin-4-ylmethanesulfonamide;N-[[5-[2-[3-(3-fluoro-4-hydroxyphenyl)propyl]pyrimidin-4-yl]-2-methoxyphenyl]methyl]-N-piperidin-4-ylmethanesulfonamide;N-[[5-[2-[3-(3-fluorophenyl)propyl]pyrimidin-4-yl]-2-methoxyphenyl]methyl]-N-piperidin-4-ylmethanesulfonamide;N-[[2-methoxy-5-[2-(3-phenylpropyl)pyrimidin-4-yl]phenyl]methyl]-N-piperidin-4-ylmethanesulfonamide is CCCN1CCC(N(CC)Cc2cccc(-c3ccnc(CCCc4ccc(O)c(Cl)c4)n3)c2)CC1.CCCN1CCC(N(CC)Cc2cccc(-c3ccnc(CCCc4ccc(O)c(F)c4)n3)c2)CC1.CCCN1CCC(N(Cc2cccc(-c3ccnc(CCCc4ccc(O)c(Cl)c4)n3)c2)S(C)(=O)=O)CC1.CCN(Cc1cccc(-c2ccnc(CCCc3ccc(O)c(Cl)c3)n2)c1)C1CCN(Cc2ccncc2)CC1.CCN(Cc1cccc(-c2ccnc(CCCc3ccc(O)c(F)c3)n2)c1)C1CCN(Cc2ccncc2)CC1.CCN1CCC(N(CC)Cc2cccc(-c3ccnc(CCCc4ccc(O)c(Cl)c4)n3)c2)CC1.CCN1CCC(N(Cc2cccc(-c3ccnc(CCCc4ccc(O)c(Cl)c4)n3)c2)S(C)(=O)=O)CC1.COc1ccc(-c2ccnc(CCCc3ccc(O)c(F)c3)n2)cc1CN(C1CCNCC1)S(C)(=O)=O.COc1ccc(-c2ccnc(CCCc3cccc(F)c3)n2)cc1CN(C1CCNCC1)S(C)(=O)=O.COc1ccc(-c2ccnc(CCCc3ccccc3)n2)cc1CN(C1CCNCC1)S(C)(=O)=O.CS(=O)(=O)N(Cc1cc(-c2ccnc(CCCc3ccc(O)c(F)c3)n2)ccc1F)C1CCNCC1.CS(=O)(=O)N(Cc1cc(-c2ccnc(CCCc3cccc(F)c3)n2)ccc1F)C1CCNCC1.
What is the InChIKey of 2-chloro-4-[3-[4-[3-[[ethyl-(1-ethylpiperidin-4-yl)amino]methyl]phenyl]pyrimidin-2-yl]propyl]phenol;2-chloro-4-[3-[4-[3-[[ethyl-(1-propylpiperidin-4-yl)amino]methyl]phenyl]pyrimidin-2-yl]propyl]phenol;2-chloro-4-[3-[4-[3-[[ethyl-[1-(pyridin-4-ylmethyl)piperidin-4-yl]amino]methyl]phenyl]pyrimidin-2-yl]propyl]phenol;N-[[3-[2-[3-(3-chloro-4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-(1-ethylpiperidin-4-yl)methanesulfonamide;N-[[3-[2-[3-(3-chloro-4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-(1-propylpiperidin-4-yl)methanesulfonamide;4-[3-[4-[3-[[ethyl-(1-propylpiperidin-4-yl)amino]methyl]phenyl]pyrimidin-2-yl]propyl]-2-fluorophenol;4-[3-[4-[3-[[ethyl-[1-(pyridin-4-ylmethyl)piperidin-4-yl]amino]methyl]phenyl]pyrimidin-2-yl]propyl]-2-fluorophenol;N-[[2-fluoro-5-[2-[3-(3-fluoro-4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-piperidin-4-ylmethanesulfonamide;N-[[2-fluoro-5-[2-[3-(3-fluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-piperidin-4-ylmethanesulfonamide;N-[[5-[2-[3-(3-fluoro-4-hydroxyphenyl)propyl]pyrimidin-4-yl]-2-methoxyphenyl]methyl]-N-piperidin-4-ylmethanesulfonamide;N-[[5-[2-[3-(3-fluorophenyl)propyl]pyrimidin-4-yl]-2-methoxyphenyl]methyl]-N-piperidin-4-ylmethanesulfonamide;N-[[2-methoxy-5-[2-(3-phenylpropyl)pyrimidin-4-yl]phenyl]methyl]-N-piperidin-4-ylmethanesulfonamide?
The InChIKey is BXAFWPYLRHUOOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H38ClN5O.C33H38FN5O.C30H39ClN4O.C30H39FN4O.C29H37ClN4O3S.C29H37ClN4O.C28H35ClN4O3S.C27H33FN4O4S.C27H33FN4O3S.C27H34N4O3S.C26H30F2N4O3S.C26H30F2N4O2S/c2*1-2-39(29-14-19-38(20-15-29)23-26-11-16-35-17-12-26)24-27-6-3-7-28(21-27)31-13-18-36-33(37-31)8-4-5-25-9-10-32(40)30(34)22-25;2*1-3-17-34-18-14-26(15-19-34)35(4-2)22-24-8-5-9-25(20-24)28-13-16-32-30(33-28)10-6-7-23-11-12-29(36)27(31)21-23;1-3-16-33-17-13-25(14-18-33)34(38(2,36)37)21-23-7-4-8-24(19-23)27-12-15-31-29(32-27)9-5-6-22-10-11-28(35)26(30)20-22;1-3-33-17-14-25(15-18-33)34(4-2)21-23-8-5-9-24(19-23)27-13-16-31-29(32-27)10-6-7-22-11-12-28(35)26(30)20-22;1-3-32-16-13-24(14-17-32)33(37(2,35)36)20-22-7-4-8-23(18-22)26-12-15-30-28(31-26)9-5-6-21-10-11-27(34)25(29)19-21;1-36-26-9-7-20(17-21(26)18-32(37(2,34)35)22-10-13-29-14-11-22)24-12-15-30-27(31-24)5-3-4-19-6-8-25(33)23(28)16-19;1-35-26-10-9-21(18-22(26)19-32(36(2,33)34)24-11-14-29-15-12-24)25-13-16-30-27(31-25)8-4-6-20-5-3-7-23(28)17-20;1-34-26-12-11-22(19-23(26)20-31(35(2,32)33)24-13-16-28-17-14-24)25-15-18-29-27(30-25)10-6-9-21-7-4-3-5-8-21;1-36(34,35)32(21-9-12-29-13-10-21)17-20-16-19(6-7-22(20)27)24-11-14-30-26(31-24)4-2-3-18-5-8-25(33)23(28)15-18;1-35(33,34)32(23-10-13-29-14-11-23)18-21-17-20(8-9-24(21)28)25-12-15-30-26(31-25)7-3-5-19-4-2-6-22(27)16-19/h2*3,6-7,9-13,16-18,21-22,29,40H,2,4-5,8,14-15,19-20,23-24H2,1H3;2*5,8-9,11-13,16,20-21,26,36H,3-4,6-7,10,14-15,17-19,22H2,1-2H3;4,7-8,10-12,15,19-20,25,35H,3,5-6,9,13-14,16-18,21H2,1-2H3;5,8-9,11-13,16,19-20,25,35H,3-4,6-7,10,14-15,17-18,21H2,1-2H3;4,7-8,10-12,15,18-19,24,34H,3,5-6,9,13-14,16-17,20H2,1-2H3;6-9,12,15-17,22,29,33H,3-5,10-11,13-14,18H2,1-2H3;3,5,7,9-10,13,16-18,24,29H,4,6,8,11-12,14-15,19H2,1-2H3;3-5,7-8,11-12,15,18-19,24,28H,6,9-10,13-14,16-17,20H2,1-2H3;5-8,11,14-16,21,29,33H,2-4,9-10,12-13,17H2,1H3;2,4,6,8-9,12,15-17,23,29H,3,5,7,10-11,13-14,18H2,1H3.
What are the key properties of 2-chloro-4-[3-[4-[3-[[ethyl-(1-ethylpiperidin-4-yl)amino]methyl]phenyl]pyrimidin-2-yl]propyl]phenol;2-chloro-4-[3-[4-[3-[[ethyl-(1-propylpiperidin-4-yl)amino]methyl]phenyl]pyrimidin-2-yl]propyl]phenol;2-chloro-4-[3-[4-[3-[[ethyl-[1-(pyridin-4-ylmethyl)piperidin-4-yl]amino]methyl]phenyl]pyrimidin-2-yl]propyl]phenol;N-[[3-[2-[3-(3-chloro-4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-(1-ethylpiperidin-4-yl)methanesulfonamide;N-[[3-[2-[3-(3-chloro-4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-(1-propylpiperidin-4-yl)methanesulfonamide;4-[3-[4-[3-[[ethyl-(1-propylpiperidin-4-yl)amino]methyl]phenyl]pyrimidin-2-yl]propyl]-2-fluorophenol;4-[3-[4-[3-[[ethyl-[1-(pyridin-4-ylmethyl)piperidin-4-yl]amino]methyl]phenyl]pyrimidin-2-yl]propyl]-2-fluorophenol;N-[[2-fluoro-5-[2-[3-(3-fluoro-4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-piperidin-4-ylmethanesulfonamide;N-[[2-fluoro-5-[2-[3-(3-fluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-piperidin-4-ylmethanesulfonamide;N-[[5-[2-[3-(3-fluoro-4-hydroxyphenyl)propyl]pyrimidin-4-yl]-2-methoxyphenyl]methyl]-N-piperidin-4-ylmethanesulfonamide;N-[[5-[2-[3-(3-fluorophenyl)propyl]pyrimidin-4-yl]-2-methoxyphenyl]methyl]-N-piperidin-4-ylmethanesulfonamide;N-[[2-methoxy-5-[2-(3-phenylpropyl)pyrimidin-4-yl]phenyl]methyl]-N-piperidin-4-ylmethanesulfonamide?
2-chloro-4-[3-[4-[3-[[ethyl-(1-ethylpiperidin-4-yl)amino]methyl]phenyl]pyrimidin-2-yl]propyl]phenol;2-chloro-4-[3-[4-[3-[[ethyl-(1-propylpiperidin-4-yl)amino]methyl]phenyl]pyrimidin-2-yl]propyl]phenol;2-chloro-4-[3-[4-[3-[[ethyl-[1-(pyridin-4-ylmethyl)piperidin-4-yl]amino]methyl]phenyl]pyrimidin-2-yl]propyl]phenol;N-[[3-[2-[3-(3-chloro-4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-(1-ethylpiperidin-4-yl)methanesulfonamide;N-[[3-[2-[3-(3-chloro-4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-(1-propylpiperidin-4-yl)methanesulfonamide;4-[3-[4-[3-[[ethyl-(1-propylpiperidin-4-yl)amino]methyl]phenyl]pyrimidin-2-yl]propyl]-2-fluorophenol;4-[3-[4-[3-[[ethyl-[1-(pyridin-4-ylmethyl)piperidin-4-yl]amino]methyl]phenyl]pyrimidin-2-yl]propyl]-2-fluorophenol;N-[[2-fluoro-5-[2-[3-(3-fluoro-4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-piperidin-4-ylmethanesulfonamide;N-[[2-fluoro-5-[2-[3-(3-fluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-piperidin-4-ylmethanesulfonamide;N-[[5-[2-[3-(3-fluoro-4-hydroxyphenyl)propyl]pyrimidin-4-yl]-2-methoxyphenyl]methyl]-N-piperidin-4-ylmethanesulfonamide;N-[[5-[2-[3-(3-fluorophenyl)propyl]pyrimidin-4-yl]-2-methoxyphenyl]methyl]-N-piperidin-4-ylmethanesulfonamide;N-[[2-methoxy-5-[2-(3-phenylpropyl)pyrimidin-4-yl]phenyl]methyl]-N-piperidin-4-ylmethanesulfonamide has a molecular weight of 6240.22 g/mol, XLogP of 60.49, 123 rotatable bonds, 14 hydrogen bond donors, and 69 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[3-[4-[3-[[ethyl-(1-ethylpiperidin-4-yl)amino]methyl]phenyl]pyrimidin-2-yl]propyl]phenol;2-chloro-4-[3-[4-[3-[[ethyl-(1-propylpiperidin-4-yl)amino]methyl]phenyl]pyrimidin-2-yl]propyl]phenol;2-chloro-4-[3-[4-[3-[[ethyl-[1-(pyridin-4-ylmethyl)piperidin-4-yl]amino]methyl]phenyl]pyrimidin-2-yl]propyl]phenol;N-[[3-[2-[3-(3-chloro-4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-(1-ethylpiperidin-4-yl)methanesulfonamide;N-[[3-[2-[3-(3-chloro-4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-(1-propylpiperidin-4-yl)methanesulfonamide;4-[3-[4-[3-[[ethyl-(1-propylpiperidin-4-yl)amino]methyl]phenyl]pyrimidin-2-yl]propyl]-2-fluorophenol;4-[3-[4-[3-[[ethyl-[1-(pyridin-4-ylmethyl)piperidin-4-yl]amino]methyl]phenyl]pyrimidin-2-yl]propyl]-2-fluorophenol;N-[[2-fluoro-5-[2-[3-(3-fluoro-4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-piperidin-4-ylmethanesulfonamide;N-[[2-fluoro-5-[2-[3-(3-fluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-piperidin-4-ylmethanesulfonamide;N-[[5-[2-[3-(3-fluoro-4-hydroxyphenyl)propyl]pyrimidin-4-yl]-2-methoxyphenyl]methyl]-N-piperidin-4-ylmethanesulfonamide;N-[[5-[2-[3-(3-fluorophenyl)propyl]pyrimidin-4-yl]-2-methoxyphenyl]methyl]-N-piperidin-4-ylmethanesulfonamide;N-[[2-methoxy-5-[2-(3-phenylpropyl)pyrimidin-4-yl]phenyl]methyl]-N-piperidin-4-ylmethanesulfonamide is sourced from PubChem (CID 157488744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).