5-bromo-N-[[3-[2-[3-(3-chloro-4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-propan-2-ylpyridine-3-carboxamide;N-[[3-[2-[3-(3-chloro-4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-1-methyl-N-propan-2-ylpiperidine-4-carboxamide;N-[[3-[2-[3-(3-chloro-4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-propan-2-yl-4-(trifluoromethyl)pyridine-3-carboxamide;N-[[3-[2-[3-(3-chlorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-ethylpiperidin-4-amine;2-[3-(3,5-difluorophenyl)propyl]-4-[3-[[(3S)-3-methylpiperazin-1-yl]methyl]phenyl]pyrimidine;2-[3-(3,5-difluorophenyl)propyl]-4-[3-[[(3R)-3-methylpiperazin-1-yl]methyl]phenyl]pyrimidine;N-ethyl-N-[[3-[2-[3-(1H-indol-5-yl)propyl]pyrimidin-4-yl]phenyl]methyl]piperidin-4-amine;4-[3-[4-[3-[(2-ethylpiperazin-1-yl)methyl]phenyl]pyrimidin-2-yl]propyl]phenol;N-ethyl-N-[[3-[2-(3-thiophen-2-ylpropyl)pyrimidin-4-yl]phenyl]methyl]piperidin-4-amine;methyl 4-[[3-[2-[3-(4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]piperazine-2-carboxylate;5-[3-[4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]-1H-indole;4-[3-[4-[3-[[(3S)-3-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]phenol;4-[3-[4-[3-[[(3R)-3-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]phenol;4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]-2-(3-thiophen-2-ylpropyl)pyrimidine;4-[3-[4-[3-[(2-propylpiperazin-1-yl)methyl]phenyl]pyrimidin-2-yl]propyl]phenol

C399H464BrCl4F7N62O13S2 — CID 162136585

IUPAC5-bromo-N-[[3-[2-[3-(3-chloro-4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-propan-2-ylpyridine-3-carboxamide;N-[[3-[2-[3-(3-chloro-4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-1-methyl-N-propan-2-ylpiperidine-4-carboxamide;N-[[3-[2-[3-(3-chloro-4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-propan-2-yl-4-(trifluoromethyl)pyridine-3-carboxamide;N-[[3-[2-[3-(3-chlorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-ethylpiperidin-4-amine;2-[3-(3,5-difluorophenyl)propyl]-4-[3-[[(3S)-3-methylpiperazin-1-yl]methyl]phenyl]pyrimidine;2-[3-(3,5-difluorophenyl)propyl]-4-[3-[[(3R)-3-methylpiperazin-1-yl]methyl]phenyl]pyrimidine;N-ethyl-N-[[3-[2-[3-(1H-indol-5-yl)propyl]pyrimidin-4-yl]phenyl]methyl]piperidin-4-amine;4-[3-[4-[3-[(2-ethylpiperazin-1-yl)methyl]phenyl]pyrimidin-2-yl]propyl]phenol;N-ethyl-N-[[3-[2-(3-thiophen-2-ylpropyl)pyrimidin-4-yl]phenyl]methyl]piperidin-4-amine;methyl 4-[[3-[2-[3-(4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]piperazine-2-carboxylate;5-[3-[4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]-1H-indole;4-[3-[4-[3-[[(3S)-3-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]phenol;4-[3-[4-[3-[[(3R)-3-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]phenol;4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]-2-(3-thiophen-2-ylpropyl)pyrimidine;4-[3-[4-[3-[(2-propylpiperazin-1-yl)methyl]phenyl]pyrimidin-2-yl]propyl]phenol
SMILESCC(C)N(Cc1cccc(-c2ccnc(CCCc3ccc(O)c(Cl)c3)n2)c1)C(=O)C1CCN(C)CC1.CC(C)N(Cc1cccc(-c2ccnc(CCCc3ccc(O)c(Cl)c3)n2)c1)C(=O)c1cncc(Br)c1.CC(C)N(Cc1cccc(-c2ccnc(CCCc3ccc(O)c(Cl)c3)n2)c1)C(=O)c1cnccc1C(F)(F)F.CCC1CNCCN1Cc1cccc(-c2ccnc(CCCc3ccc(O)cc3)n2)c1.CCCC1CNCCN1Cc1cccc(-c2ccnc(CCCc3ccc(O)cc3)n2)c1.CCN(Cc1cccc(-c2ccnc(CCCc3ccc4[nH]ccc4c3)n2)c1)C1CCNCC1.CCN(Cc1cccc(-c2ccnc(CCCc3cccc(Cl)c3)n2)c1)C1CCNCC1.CCN(Cc1cccc(-c2ccnc(CCCc3cccs3)n2)c1)C1CCNCC1.COC(=O)C1CN(Cc2cccc(-c3ccnc(CCCc4ccc(O)cc4)n3)c2)CCN1.C[C@@H]1CN(Cc2cccc(-c3ccnc(CCCc4cc(F)cc(F)c4)n3)c2)CCN1.C[C@@H]1CN(Cc2cccc(-c3ccnc(CCCc4ccc(O)cc4)n3)c2)CCN1.C[C@H]1CN(Cc2cccc(-c3ccnc(CCCc4cc(F)cc(F)c4)n3)c2)CCN1.C[C@H]1CN(Cc2cccc(-c3ccnc(CCCc4ccc(O)cc4)n3)c2)CCN1.C[C@H]1CNCCN1Cc1cccc(-c2ccnc(CCCc3ccc4[nH]ccc4c3)n2)c1.C[C@H]1CNCCN1Cc1cccc(-c2ccnc(CCCc3cccs3)n2)c1
InChIInChI=1S/C30H28ClF3N4O2.C30H37ClN4O2.C29H28BrClN4O2.C29H35N5.C27H33ClN4.C27H31N5.C27H34N4O.C26H30N4O3.C26H32N4O.2C25H28F2N4.2C25H30N4O.C25H32N4S.C23H28N4S/c1-19(2)38(29(40)23-17-35-13-11-24(23)30(32,33)34)18-21-6-3-7-22(15-21)26-12-14-36-28(37-26)8-4-5-20-9-10-27(39)25(31)16-20;1-21(2)35(30(37)24-13-16-34(3)17-14-24)20-23-7-4-8-25(18-23)27-12-15-32-29(33-27)9-5-6-22-10-11-28(36)26(31)19-22;1-19(2)35(29(37)23-15-24(30)17-32-16-23)18-21-6-3-7-22(13-21)26-11-12-33-28(34-26)8-4-5-20-9-10-27(36)25(31)14-20;1-2-34(26-12-15-30-16-13-26)21-23-6-3-7-24(20-23)28-14-18-32-29(33-28)8-4-5-22-9-10-27-25(19-22)11-17-31-27;1-2-32(25-12-15-29-16-13-25)20-22-8-3-9-23(18-22)26-14-17-30-27(31-26)11-5-7-21-6-4-10-24(28)19-21;1-20-18-28-14-15-32(20)19-22-5-2-6-23(17-22)26-11-13-30-27(31-26)7-3-4-21-8-9-25-24(16-21)10-12-29-25;1-2-5-24-19-28-16-17-31(24)20-22-7-3-8-23(18-22)26-14-15-29-27(30-26)9-4-6-21-10-12-25(32)13-11-21;1-33-26(32)24-18-30(15-14-27-24)17-20-5-2-6-21(16-20)23-12-13-28-25(29-23)7-3-4-19-8-10-22(31)11-9-19;1-2-23-18-27-15-16-30(23)19-21-6-3-7-22(17-21)25-13-14-28-26(29-25)8-4-5-20-9-11-24(31)12-10-20;2*1-18-16-31(11-10-28-18)17-20-5-2-6-21(12-20)24-8-9-29-25(30-24)7-3-4-19-13-22(26)15-23(27)14-19;2*1-19-17-29(15-14-26-19)18-21-5-2-6-22(16-21)24-12-13-27-25(28-24)7-3-4-20-8-10-23(30)11-9-20;1-2-29(22-11-14-26-15-12-22)19-20-6-3-7-21(18-20)24-13-16-27-25(28-24)10-4-8-23-9-5-17-30-23;1-18-16-24-12-13-27(18)17-19-5-2-6-20(15-19)22-10-11-25-23(26-22)9-3-7-21-8-4-14-28-21/h3,6-7,9-17,19,39H,4-5,8,18H2,1-2H3;4,7-8,10-12,15,18-19,21,24,36H,5-6,9,13-14,16-17,20H2,1-3H3;3,6-7,9-17,19,36H,4-5,8,18H2,1-2H3;3,6-7,9-11,14,17-20,26,30-31H,2,4-5,8,12-13,15-16,21H2,1H3;3-4,6,8-10,14,17-19,25,29H,2,5,7,11-13,15-16,20H2,1H3;2,5-6,8-13,16-17,20,28-29H,3-4,7,14-15,18-19H2,1H3;3,7-8,10-15,18,24,28,32H,2,4-6,9,16-17,19-20H2,1H3;2,5-6,8-13,16,24,27,31H,3-4,7,14-15,17-18H2,1H3;3,6-7,9-14,17,23,27,31H,2,4-5,8,15-16,18-19H2,1H3;2*2,5-6,8-9,12-15,18,28H,3-4,7,10-11,16-17H2,1H3;2*2,5-6,8-13,16,19,26,30H,3-4,7,14-15,17-18H2,1H3;3,5-7,9,13,16-18,22,26H,2,4,8,10-12,14-15,19H2,1H3;2,4-6,8,10-11,14-15,18,24H,3,7,9,12-13,16-17H2,1H3/t;;;;;20-;;;;2*18-;2*19-;;18-/m.....0...1010.0/s1
InChIKeyZJJHJMQEHMXEJD-ZUQWGMALSA-N
MW6755.36 g/mol
LogP72.62
Rot. Bonds121

About 5-bromo-N-[[3-[2-[3-(3-chloro-4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-propan-2-ylpyridine-3-carboxamide;N-[[3-[2-[3-(3-chloro-4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-1-methyl-N-propan-2-ylpiperidine-4-carboxamide;N-[[3-[2-[3-(3-chloro-4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-propan-2-yl-4-(trifluoromethyl)pyridine-3-carboxamide;N-[[3-[2-[3-(3-chlorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-ethylpiperidin-4-amine;2-[3-(3,5-difluorophenyl)propyl]-4-[3-[[(3S)-3-methylpiperazin-1-yl]methyl]phenyl]pyrimidine;2-[3-(3,5-difluorophenyl)propyl]-4-[3-[[(3R)-3-methylpiperazin-1-yl]methyl]phenyl]pyrimidine;N-ethyl-N-[[3-[2-[3-(1H-indol-5-yl)propyl]pyrimidin-4-yl]phenyl]methyl]piperidin-4-amine;4-[3-[4-[3-[(2-ethylpiperazin-1-yl)methyl]phenyl]pyrimidin-2-yl]propyl]phenol;N-ethyl-N-[[3-[2-(3-thiophen-2-ylpropyl)pyrimidin-4-yl]phenyl]methyl]piperidin-4-amine;methyl 4-[[3-[2-[3-(4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]piperazine-2-carboxylate;5-[3-[4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]-1H-indole;4-[3-[4-[3-[[(3S)-3-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]phenol;4-[3-[4-[3-[[(3R)-3-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]phenol;4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]-2-(3-thiophen-2-ylpropyl)pyrimidine;4-[3-[4-[3-[(2-propylpiperazin-1-yl)methyl]phenyl]pyrimidin-2-yl]propyl]phenol

5-bromo-N-[[3-[2-[3-(3-chloro-4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-propan-2-ylpyridine-3-carboxamide;N-[[3-[2-[3-(3-chloro-4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-1-methyl-N-propan-2-ylpiperidine-4-carboxamide;N-[[3-[2-[3-(3-chloro-4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-propan-2-yl-4-(trifluoromethyl)pyridine-3-carboxamide;N-[[3-[2-[3-(3-chlorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-ethylpiperidin-4-amine;2-[3-(3,5-difluorophenyl)propyl]-4-[3-[[(3S)-3-methylpiperazin-1-yl]methyl]phenyl]pyrimidine;2-[3-(3,5-difluorophenyl)propyl]-4-[3-[[(3R)-3-methylpiperazin-1-yl]methyl]phenyl]pyrimidine;N-ethyl-N-[[3-[2-[3-(1H-indol-5-yl)propyl]pyrimidin-4-yl]phenyl]methyl]piperidin-4-amine;4-[3-[4-[3-[(2-ethylpiperazin-1-yl)methyl]phenyl]pyrimidin-2-yl]propyl]phenol;N-ethyl-N-[[3-[2-(3-thiophen-2-ylpropyl)pyrimidin-4-yl]phenyl]methyl]piperidin-4-amine;methyl 4-[[3-[2-[3-(4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]piperazine-2-carboxylate;5-[3-[4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]-1H-indole;4-[3-[4-[3-[[(3S)-3-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]phenol;4-[3-[4-[3-[[(3R)-3-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]phenol;4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]-2-(3-thiophen-2-ylpropyl)pyrimidine;4-[3-[4-[3-[(2-propylpiperazin-1-yl)methyl]phenyl]pyrimidin-2-yl]propyl]phenol (PubChem CID 162136585) has the molecular formula C399H464BrCl4F7N62O13S2 and a molecular weight of 6755.36 g/mol. Its IUPAC name is 5-bromo-N-[[3-[2-[3-(3-chloro-4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-propan-2-ylpyridine-3-carboxamide;N-[[3-[2-[3-(3-chloro-4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-1-methyl-N-propan-2-ylpiperidine-4-carboxamide;N-[[3-[2-[3-(3-chloro-4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-propan-2-yl-4-(trifluoromethyl)pyridine-3-carboxamide;N-[[3-[2-[3-(3-chlorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-ethylpiperidin-4-amine;2-[3-(3,5-difluorophenyl)propyl]-4-[3-[[(3S)-3-methylpiperazin-1-yl]methyl]phenyl]pyrimidine;2-[3-(3,5-difluorophenyl)propyl]-4-[3-[[(3R)-3-methylpiperazin-1-yl]methyl]phenyl]pyrimidine;N-ethyl-N-[[3-[2-[3-(1H-indol-5-yl)propyl]pyrimidin-4-yl]phenyl]methyl]piperidin-4-amine;4-[3-[4-[3-[(2-ethylpiperazin-1-yl)methyl]phenyl]pyrimidin-2-yl]propyl]phenol;N-ethyl-N-[[3-[2-(3-thiophen-2-ylpropyl)pyrimidin-4-yl]phenyl]methyl]piperidin-4-amine;methyl 4-[[3-[2-[3-(4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]piperazine-2-carboxylate;5-[3-[4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]-1H-indole;4-[3-[4-[3-[[(3S)-3-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]phenol;4-[3-[4-[3-[[(3R)-3-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]phenol;4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]-2-(3-thiophen-2-ylpropyl)pyrimidine;4-[3-[4-[3-[(2-propylpiperazin-1-yl)methyl]phenyl]pyrimidin-2-yl]propyl]phenol.

Molecular Properties

Compound Name5-bromo-N-[[3-[2-[3-(3-chloro-4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-propan-2-ylpyridine-3-carboxamide;N-[[3-[2-[3-(3-chloro-4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-1-methyl-N-propan-2-ylpiperidine-4-carboxamide;N-[[3-[2-[3-(3-chloro-4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-propan-2-yl-4-(trifluoromethyl)pyridine-3-carboxamide;N-[[3-[2-[3-(3-chlorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-ethylpiperidin-4-amine;2-[3-(3,5-difluorophenyl)propyl]-4-[3-[[(3S)-3-methylpiperazin-1-yl]methyl]phenyl]pyrimidine;2-[3-(3,5-difluorophenyl)propyl]-4-[3-[[(3R)-3-methylpiperazin-1-yl]methyl]phenyl]pyrimidine;N-ethyl-N-[[3-[2-[3-(1H-indol-5-yl)propyl]pyrimidin-4-yl]phenyl]methyl]piperidin-4-amine;4-[3-[4-[3-[(2-ethylpiperazin-1-yl)methyl]phenyl]pyrimidin-2-yl]propyl]phenol;N-ethyl-N-[[3-[2-(3-thiophen-2-ylpropyl)pyrimidin-4-yl]phenyl]methyl]piperidin-4-amine;methyl 4-[[3-[2-[3-(4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]piperazine-2-carboxylate;5-[3-[4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]-1H-indole;4-[3-[4-[3-[[(3S)-3-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]phenol;4-[3-[4-[3-[[(3R)-3-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]phenol;4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]-2-(3-thiophen-2-ylpropyl)pyrimidine;4-[3-[4-[3-[(2-propylpiperazin-1-yl)methyl]phenyl]pyrimidin-2-yl]propyl]phenol
PubChem CID162136585
Molecular FormulaC399H464BrCl4F7N62O13S2
Molecular Weight6755.36 g/mol
Exact Mass6747.48
IUPAC Name5-bromo-N-[[3-[2-[3-(3-chloro-4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-propan-2-ylpyridine-3-carboxamide;N-[[3-[2-[3-(3-chloro-4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-1-methyl-N-propan-2-ylpiperidine-4-carboxamide;N-[[3-[2-[3-(3-chloro-4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-propan-2-yl-4-(trifluoromethyl)pyridine-3-carboxamide;N-[[3-[2-[3-(3-chlorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-ethylpiperidin-4-amine;2-[3-(3,5-difluorophenyl)propyl]-4-[3-[[(3S)-3-methylpiperazin-1-yl]methyl]phenyl]pyrimidine;2-[3-(3,5-difluorophenyl)propyl]-4-[3-[[(3R)-3-methylpiperazin-1-yl]methyl]phenyl]pyrimidine;N-ethyl-N-[[3-[2-[3-(1H-indol-5-yl)propyl]pyrimidin-4-yl]phenyl]methyl]piperidin-4-amine;4-[3-[4-[3-[(2-ethylpiperazin-1-yl)methyl]phenyl]pyrimidin-2-yl]propyl]phenol;N-ethyl-N-[[3-[2-(3-thiophen-2-ylpropyl)pyrimidin-4-yl]phenyl]methyl]piperidin-4-amine;methyl 4-[[3-[2-[3-(4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]piperazine-2-carboxylate;5-[3-[4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]-1H-indole;4-[3-[4-[3-[[(3S)-3-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]phenol;4-[3-[4-[3-[[(3R)-3-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]phenol;4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]-2-(3-thiophen-2-ylpropyl)pyrimidine;4-[3-[4-[3-[(2-propylpiperazin-1-yl)methyl]phenyl]pyrimidin-2-yl]propyl]phenol
SMILESCC(C)N(Cc1cccc(-c2ccnc(CCCc3ccc(O)c(Cl)c3)n2)c1)C(=O)C1CCN(C)CC1.CC(C)N(Cc1cccc(-c2ccnc(CCCc3ccc(O)c(Cl)c3)n2)c1)C(=O)c1cncc(Br)c1.CC(C)N(Cc1cccc(-c2ccnc(CCCc3ccc(O)c(Cl)c3)n2)c1)C(=O)c1cnccc1C(F)(F)F.CCC1CNCCN1Cc1cccc(-c2ccnc(CCCc3ccc(O)cc3)n2)c1.CCCC1CNCCN1Cc1cccc(-c2ccnc(CCCc3ccc(O)cc3)n2)c1.CCN(Cc1cccc(-c2ccnc(CCCc3ccc4[nH]ccc4c3)n2)c1)C1CCNCC1.CCN(Cc1cccc(-c2ccnc(CCCc3cccc(Cl)c3)n2)c1)C1CCNCC1.CCN(Cc1cccc(-c2ccnc(CCCc3cccs3)n2)c1)C1CCNCC1.COC(=O)C1CN(Cc2cccc(-c3ccnc(CCCc4ccc(O)cc4)n3)c2)CCN1.C[C@@H]1CN(Cc2cccc(-c3ccnc(CCCc4cc(F)cc(F)c4)n3)c2)CCN1.C[C@@H]1CN(Cc2cccc(-c3ccnc(CCCc4ccc(O)cc4)n3)c2)CCN1.C[C@H]1CN(Cc2cccc(-c3ccnc(CCCc4cc(F)cc(F)c4)n3)c2)CCN1.C[C@H]1CN(Cc2cccc(-c3ccnc(CCCc4ccc(O)cc4)n3)c2)CCN1.C[C@H]1CNCCN1Cc1cccc(-c2ccnc(CCCc3ccc4[nH]ccc4c3)n2)c1.C[C@H]1CNCCN1Cc1cccc(-c2ccnc(CCCc3cccs3)n2)c1
InChIInChI=1S/C30H28ClF3N4O2.C30H37ClN4O2.C29H28BrClN4O2.C29H35N5.C27H33ClN4.C27H31N5.C27H34N4O.C26H30N4O3.C26H32N4O.2C25H28F2N4.2C25H30N4O.C25H32N4S.C23H28N4S/c1-19(2)38(29(40)23-17-35-13-11-24(23)30(32,33)34)18-21-6-3-7-22(15-21)26-12-14-36-28(37-26)8-4-5-20-9-10-27(39)25(31)16-20;1-21(2)35(30(37)24-13-16-34(3)17-14-24)20-23-7-4-8-25(18-23)27-12-15-32-29(33-27)9-5-6-22-10-11-28(36)26(31)19-22;1-19(2)35(29(37)23-15-24(30)17-32-16-23)18-21-6-3-7-22(13-21)26-11-12-33-28(34-26)8-4-5-20-9-10-27(36)25(31)14-20;1-2-34(26-12-15-30-16-13-26)21-23-6-3-7-24(20-23)28-14-18-32-29(33-28)8-4-5-22-9-10-27-25(19-22)11-17-31-27;1-2-32(25-12-15-29-16-13-25)20-22-8-3-9-23(18-22)26-14-17-30-27(31-26)11-5-7-21-6-4-10-24(28)19-21;1-20-18-28-14-15-32(20)19-22-5-2-6-23(17-22)26-11-13-30-27(31-26)7-3-4-21-8-9-25-24(16-21)10-12-29-25;1-2-5-24-19-28-16-17-31(24)20-22-7-3-8-23(18-22)26-14-15-29-27(30-26)9-4-6-21-10-12-25(32)13-11-21;1-33-26(32)24-18-30(15-14-27-24)17-20-5-2-6-21(16-20)23-12-13-28-25(29-23)7-3-4-19-8-10-22(31)11-9-19;1-2-23-18-27-15-16-30(23)19-21-6-3-7-22(17-21)25-13-14-28-26(29-25)8-4-5-20-9-11-24(31)12-10-20;2*1-18-16-31(11-10-28-18)17-20-5-2-6-21(12-20)24-8-9-29-25(30-24)7-3-4-19-13-22(26)15-23(27)14-19;2*1-19-17-29(15-14-26-19)18-21-5-2-6-22(16-21)24-12-13-27-25(28-24)7-3-4-20-8-10-23(30)11-9-20;1-2-29(22-11-14-26-15-12-22)19-20-6-3-7-21(18-20)24-13-16-27-25(28-24)10-4-8-23-9-5-17-30-23;1-18-16-24-12-13-27(18)17-19-5-2-6-20(15-19)22-10-11-25-23(26-22)9-3-7-21-8-4-14-28-21/h3,6-7,9-17,19,39H,4-5,8,18H2,1-2H3;4,7-8,10-12,15,18-19,21,24,36H,5-6,9,13-14,16-17,20H2,1-3H3;3,6-7,9-17,19,36H,4-5,8,18H2,1-2H3;3,6-7,9-11,14,17-20,26,30-31H,2,4-5,8,12-13,15-16,21H2,1H3;3-4,6,8-10,14,17-19,25,29H,2,5,7,11-13,15-16,20H2,1H3;2,5-6,8-13,16-17,20,28-29H,3-4,7,14-15,18-19H2,1H3;3,7-8,10-15,18,24,28,32H,2,4-6,9,16-17,19-20H2,1H3;2,5-6,8-13,16,24,27,31H,3-4,7,14-15,17-18H2,1H3;3,6-7,9-14,17,23,27,31H,2,4-5,8,15-16,18-19H2,1H3;2*2,5-6,8-9,12-15,18,28H,3-4,7,10-11,16-17H2,1H3;2*2,5-6,8-13,16,19,26,30H,3-4,7,14-15,17-18H2,1H3;3,5-7,9,13,16-18,22,26H,2,4,8,10-12,14-15,19H2,1H3;2,4-6,8,10-11,14-15,18,24H,3,7,9,12-13,16-17H2,1H3/t;;;;;20-;;;;2*18-;2*19-;;18-/m.....0...1010.0/s1
InChIKeyZJJHJMQEHMXEJD-ZUQWGMALSA-N
XLogP72.62
TPSA879.61 Ų
H-Bond Donors22
H-Bond Acceptors72
Rotatable Bonds121
Heavy Atoms488
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5006755.36
LogP ≤ 572.62
H-Bond Donors ≤ 522
H-Bond Acceptors ≤ 1072

Analyze 5-bromo-N-[[3-[2-[3-(3-chloro-4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-propan-2-ylpyridine-3-carboxamide;N-[[3-[2-[3-(3-chloro-4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-1-methyl-N-propan-2-ylpiperidine-4-carboxamide;N-[[3-[2-[3-(3-chloro-4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-propan-2-yl-4-(trifluoromethyl)pyridine-3-carboxamide;N-[[3-[2-[3-(3-chlorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-ethylpiperidin-4-amine;2-[3-(3,5-difluorophenyl)propyl]-4-[3-[[(3S)-3-methylpiperazin-1-yl]methyl]phenyl]pyrimidine;2-[3-(3,5-difluorophenyl)propyl]-4-[3-[[(3R)-3-methylpiperazin-1-yl]methyl]phenyl]pyrimidine;N-ethyl-N-[[3-[2-[3-(1H-indol-5-yl)propyl]pyrimidin-4-yl]phenyl]methyl]piperidin-4-amine;4-[3-[4-[3-[(2-ethylpiperazin-1-yl)methyl]phenyl]pyrimidin-2-yl]propyl]phenol;N-ethyl-N-[[3-[2-(3-thiophen-2-ylpropyl)pyrimidin-4-yl]phenyl]methyl]piperidin-4-amine;methyl 4-[[3-[2-[3-(4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]piperazine-2-carboxylate;5-[3-[4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]-1H-indole;4-[3-[4-[3-[[(3S)-3-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]phenol;4-[3-[4-[3-[[(3R)-3-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]phenol;4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]-2-(3-thiophen-2-ylpropyl)pyrimidine;4-[3-[4-[3-[(2-propylpiperazin-1-yl)methyl]phenyl]pyrimidin-2-yl]propyl]phenol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[[3-[2-[3-(3-chloro-4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-propan-2-ylpyridine-3-carboxamide;N-[[3-[2-[3-(3-chloro-4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-1-methyl-N-propan-2-ylpiperidine-4-carboxamide;N-[[3-[2-[3-(3-chloro-4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-propan-2-yl-4-(trifluoromethyl)pyridine-3-carboxamide;N-[[3-[2-[3-(3-chlorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-ethylpiperidin-4-amine;2-[3-(3,5-difluorophenyl)propyl]-4-[3-[[(3S)-3-methylpiperazin-1-yl]methyl]phenyl]pyrimidine;2-[3-(3,5-difluorophenyl)propyl]-4-[3-[[(3R)-3-methylpiperazin-1-yl]methyl]phenyl]pyrimidine;N-ethyl-N-[[3-[2-[3-(1H-indol-5-yl)propyl]pyrimidin-4-yl]phenyl]methyl]piperidin-4-amine;4-[3-[4-[3-[(2-ethylpiperazin-1-yl)methyl]phenyl]pyrimidin-2-yl]propyl]phenol;N-ethyl-N-[[3-[2-(3-thiophen-2-ylpropyl)pyrimidin-4-yl]phenyl]methyl]piperidin-4-amine;methyl 4-[[3-[2-[3-(4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]piperazine-2-carboxylate;5-[3-[4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]-1H-indole;4-[3-[4-[3-[[(3S)-3-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]phenol;4-[3-[4-[3-[[(3R)-3-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]phenol;4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]-2-(3-thiophen-2-ylpropyl)pyrimidine;4-[3-[4-[3-[(2-propylpiperazin-1-yl)methyl]phenyl]pyrimidin-2-yl]propyl]phenol?
The IUPAC name of 5-bromo-N-[[3-[2-[3-(3-chloro-4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-propan-2-ylpyridine-3-carboxamide;N-[[3-[2-[3-(3-chloro-4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-1-methyl-N-propan-2-ylpiperidine-4-carboxamide;N-[[3-[2-[3-(3-chloro-4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-propan-2-yl-4-(trifluoromethyl)pyridine-3-carboxamide;N-[[3-[2-[3-(3-chlorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-ethylpiperidin-4-amine;2-[3-(3,5-difluorophenyl)propyl]-4-[3-[[(3S)-3-methylpiperazin-1-yl]methyl]phenyl]pyrimidine;2-[3-(3,5-difluorophenyl)propyl]-4-[3-[[(3R)-3-methylpiperazin-1-yl]methyl]phenyl]pyrimidine;N-ethyl-N-[[3-[2-[3-(1H-indol-5-yl)propyl]pyrimidin-4-yl]phenyl]methyl]piperidin-4-amine;4-[3-[4-[3-[(2-ethylpiperazin-1-yl)methyl]phenyl]pyrimidin-2-yl]propyl]phenol;N-ethyl-N-[[3-[2-(3-thiophen-2-ylpropyl)pyrimidin-4-yl]phenyl]methyl]piperidin-4-amine;methyl 4-[[3-[2-[3-(4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]piperazine-2-carboxylate;5-[3-[4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]-1H-indole;4-[3-[4-[3-[[(3S)-3-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]phenol;4-[3-[4-[3-[[(3R)-3-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]phenol;4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]-2-(3-thiophen-2-ylpropyl)pyrimidine;4-[3-[4-[3-[(2-propylpiperazin-1-yl)methyl]phenyl]pyrimidin-2-yl]propyl]phenol (CID 162136585) is 5-bromo-N-[[3-[2-[3-(3-chloro-4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-propan-2-ylpyridine-3-carboxamide;N-[[3-[2-[3-(3-chloro-4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-1-methyl-N-propan-2-ylpiperidine-4-carboxamide;N-[[3-[2-[3-(3-chloro-4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-propan-2-yl-4-(trifluoromethyl)pyridine-3-carboxamide;N-[[3-[2-[3-(3-chlorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-ethylpiperidin-4-amine;2-[3-(3,5-difluorophenyl)propyl]-4-[3-[[(3S)-3-methylpiperazin-1-yl]methyl]phenyl]pyrimidine;2-[3-(3,5-difluorophenyl)propyl]-4-[3-[[(3R)-3-methylpiperazin-1-yl]methyl]phenyl]pyrimidine;N-ethyl-N-[[3-[2-[3-(1H-indol-5-yl)propyl]pyrimidin-4-yl]phenyl]methyl]piperidin-4-amine;4-[3-[4-[3-[(2-ethylpiperazin-1-yl)methyl]phenyl]pyrimidin-2-yl]propyl]phenol;N-ethyl-N-[[3-[2-(3-thiophen-2-ylpropyl)pyrimidin-4-yl]phenyl]methyl]piperidin-4-amine;methyl 4-[[3-[2-[3-(4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]piperazine-2-carboxylate;5-[3-[4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]-1H-indole;4-[3-[4-[3-[[(3S)-3-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]phenol;4-[3-[4-[3-[[(3R)-3-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]phenol;4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]-2-(3-thiophen-2-ylpropyl)pyrimidine;4-[3-[4-[3-[(2-propylpiperazin-1-yl)methyl]phenyl]pyrimidin-2-yl]propyl]phenol.
What is the SMILES notation for 5-bromo-N-[[3-[2-[3-(3-chloro-4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-propan-2-ylpyridine-3-carboxamide;N-[[3-[2-[3-(3-chloro-4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-1-methyl-N-propan-2-ylpiperidine-4-carboxamide;N-[[3-[2-[3-(3-chloro-4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-propan-2-yl-4-(trifluoromethyl)pyridine-3-carboxamide;N-[[3-[2-[3-(3-chlorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-ethylpiperidin-4-amine;2-[3-(3,5-difluorophenyl)propyl]-4-[3-[[(3S)-3-methylpiperazin-1-yl]methyl]phenyl]pyrimidine;2-[3-(3,5-difluorophenyl)propyl]-4-[3-[[(3R)-3-methylpiperazin-1-yl]methyl]phenyl]pyrimidine;N-ethyl-N-[[3-[2-[3-(1H-indol-5-yl)propyl]pyrimidin-4-yl]phenyl]methyl]piperidin-4-amine;4-[3-[4-[3-[(2-ethylpiperazin-1-yl)methyl]phenyl]pyrimidin-2-yl]propyl]phenol;N-ethyl-N-[[3-[2-(3-thiophen-2-ylpropyl)pyrimidin-4-yl]phenyl]methyl]piperidin-4-amine;methyl 4-[[3-[2-[3-(4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]piperazine-2-carboxylate;5-[3-[4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]-1H-indole;4-[3-[4-[3-[[(3S)-3-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]phenol;4-[3-[4-[3-[[(3R)-3-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]phenol;4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]-2-(3-thiophen-2-ylpropyl)pyrimidine;4-[3-[4-[3-[(2-propylpiperazin-1-yl)methyl]phenyl]pyrimidin-2-yl]propyl]phenol?
The canonical SMILES for 5-bromo-N-[[3-[2-[3-(3-chloro-4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-propan-2-ylpyridine-3-carboxamide;N-[[3-[2-[3-(3-chloro-4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-1-methyl-N-propan-2-ylpiperidine-4-carboxamide;N-[[3-[2-[3-(3-chloro-4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-propan-2-yl-4-(trifluoromethyl)pyridine-3-carboxamide;N-[[3-[2-[3-(3-chlorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-ethylpiperidin-4-amine;2-[3-(3,5-difluorophenyl)propyl]-4-[3-[[(3S)-3-methylpiperazin-1-yl]methyl]phenyl]pyrimidine;2-[3-(3,5-difluorophenyl)propyl]-4-[3-[[(3R)-3-methylpiperazin-1-yl]methyl]phenyl]pyrimidine;N-ethyl-N-[[3-[2-[3-(1H-indol-5-yl)propyl]pyrimidin-4-yl]phenyl]methyl]piperidin-4-amine;4-[3-[4-[3-[(2-ethylpiperazin-1-yl)methyl]phenyl]pyrimidin-2-yl]propyl]phenol;N-ethyl-N-[[3-[2-(3-thiophen-2-ylpropyl)pyrimidin-4-yl]phenyl]methyl]piperidin-4-amine;methyl 4-[[3-[2-[3-(4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]piperazine-2-carboxylate;5-[3-[4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]-1H-indole;4-[3-[4-[3-[[(3S)-3-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]phenol;4-[3-[4-[3-[[(3R)-3-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]phenol;4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]-2-(3-thiophen-2-ylpropyl)pyrimidine;4-[3-[4-[3-[(2-propylpiperazin-1-yl)methyl]phenyl]pyrimidin-2-yl]propyl]phenol is CC(C)N(Cc1cccc(-c2ccnc(CCCc3ccc(O)c(Cl)c3)n2)c1)C(=O)C1CCN(C)CC1.CC(C)N(Cc1cccc(-c2ccnc(CCCc3ccc(O)c(Cl)c3)n2)c1)C(=O)c1cncc(Br)c1.CC(C)N(Cc1cccc(-c2ccnc(CCCc3ccc(O)c(Cl)c3)n2)c1)C(=O)c1cnccc1C(F)(F)F.CCC1CNCCN1Cc1cccc(-c2ccnc(CCCc3ccc(O)cc3)n2)c1.CCCC1CNCCN1Cc1cccc(-c2ccnc(CCCc3ccc(O)cc3)n2)c1.CCN(Cc1cccc(-c2ccnc(CCCc3ccc4[nH]ccc4c3)n2)c1)C1CCNCC1.CCN(Cc1cccc(-c2ccnc(CCCc3cccc(Cl)c3)n2)c1)C1CCNCC1.CCN(Cc1cccc(-c2ccnc(CCCc3cccs3)n2)c1)C1CCNCC1.COC(=O)C1CN(Cc2cccc(-c3ccnc(CCCc4ccc(O)cc4)n3)c2)CCN1.C[C@@H]1CN(Cc2cccc(-c3ccnc(CCCc4cc(F)cc(F)c4)n3)c2)CCN1.C[C@@H]1CN(Cc2cccc(-c3ccnc(CCCc4ccc(O)cc4)n3)c2)CCN1.C[C@H]1CN(Cc2cccc(-c3ccnc(CCCc4cc(F)cc(F)c4)n3)c2)CCN1.C[C@H]1CN(Cc2cccc(-c3ccnc(CCCc4ccc(O)cc4)n3)c2)CCN1.C[C@H]1CNCCN1Cc1cccc(-c2ccnc(CCCc3ccc4[nH]ccc4c3)n2)c1.C[C@H]1CNCCN1Cc1cccc(-c2ccnc(CCCc3cccs3)n2)c1.
What is the InChIKey of 5-bromo-N-[[3-[2-[3-(3-chloro-4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-propan-2-ylpyridine-3-carboxamide;N-[[3-[2-[3-(3-chloro-4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-1-methyl-N-propan-2-ylpiperidine-4-carboxamide;N-[[3-[2-[3-(3-chloro-4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-propan-2-yl-4-(trifluoromethyl)pyridine-3-carboxamide;N-[[3-[2-[3-(3-chlorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-ethylpiperidin-4-amine;2-[3-(3,5-difluorophenyl)propyl]-4-[3-[[(3S)-3-methylpiperazin-1-yl]methyl]phenyl]pyrimidine;2-[3-(3,5-difluorophenyl)propyl]-4-[3-[[(3R)-3-methylpiperazin-1-yl]methyl]phenyl]pyrimidine;N-ethyl-N-[[3-[2-[3-(1H-indol-5-yl)propyl]pyrimidin-4-yl]phenyl]methyl]piperidin-4-amine;4-[3-[4-[3-[(2-ethylpiperazin-1-yl)methyl]phenyl]pyrimidin-2-yl]propyl]phenol;N-ethyl-N-[[3-[2-(3-thiophen-2-ylpropyl)pyrimidin-4-yl]phenyl]methyl]piperidin-4-amine;methyl 4-[[3-[2-[3-(4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]piperazine-2-carboxylate;5-[3-[4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]-1H-indole;4-[3-[4-[3-[[(3S)-3-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]phenol;4-[3-[4-[3-[[(3R)-3-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]phenol;4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]-2-(3-thiophen-2-ylpropyl)pyrimidine;4-[3-[4-[3-[(2-propylpiperazin-1-yl)methyl]phenyl]pyrimidin-2-yl]propyl]phenol?
The InChIKey is ZJJHJMQEHMXEJD-ZUQWGMALSA-N. The full InChI is InChI=1S/C30H28ClF3N4O2.C30H37ClN4O2.C29H28BrClN4O2.C29H35N5.C27H33ClN4.C27H31N5.C27H34N4O.C26H30N4O3.C26H32N4O.2C25H28F2N4.2C25H30N4O.C25H32N4S.C23H28N4S/c1-19(2)38(29(40)23-17-35-13-11-24(23)30(32,33)34)18-21-6-3-7-22(15-21)26-12-14-36-28(37-26)8-4-5-20-9-10-27(39)25(31)16-20;1-21(2)35(30(37)24-13-16-34(3)17-14-24)20-23-7-4-8-25(18-23)27-12-15-32-29(33-27)9-5-6-22-10-11-28(36)26(31)19-22;1-19(2)35(29(37)23-15-24(30)17-32-16-23)18-21-6-3-7-22(13-21)26-11-12-33-28(34-26)8-4-5-20-9-10-27(36)25(31)14-20;1-2-34(26-12-15-30-16-13-26)21-23-6-3-7-24(20-23)28-14-18-32-29(33-28)8-4-5-22-9-10-27-25(19-22)11-17-31-27;1-2-32(25-12-15-29-16-13-25)20-22-8-3-9-23(18-22)26-14-17-30-27(31-26)11-5-7-21-6-4-10-24(28)19-21;1-20-18-28-14-15-32(20)19-22-5-2-6-23(17-22)26-11-13-30-27(31-26)7-3-4-21-8-9-25-24(16-21)10-12-29-25;1-2-5-24-19-28-16-17-31(24)20-22-7-3-8-23(18-22)26-14-15-29-27(30-26)9-4-6-21-10-12-25(32)13-11-21;1-33-26(32)24-18-30(15-14-27-24)17-20-5-2-6-21(16-20)23-12-13-28-25(29-23)7-3-4-19-8-10-22(31)11-9-19;1-2-23-18-27-15-16-30(23)19-21-6-3-7-22(17-21)25-13-14-28-26(29-25)8-4-5-20-9-11-24(31)12-10-20;2*1-18-16-31(11-10-28-18)17-20-5-2-6-21(12-20)24-8-9-29-25(30-24)7-3-4-19-13-22(26)15-23(27)14-19;2*1-19-17-29(15-14-26-19)18-21-5-2-6-22(16-21)24-12-13-27-25(28-24)7-3-4-20-8-10-23(30)11-9-20;1-2-29(22-11-14-26-15-12-22)19-20-6-3-7-21(18-20)24-13-16-27-25(28-24)10-4-8-23-9-5-17-30-23;1-18-16-24-12-13-27(18)17-19-5-2-6-20(15-19)22-10-11-25-23(26-22)9-3-7-21-8-4-14-28-21/h3,6-7,9-17,19,39H,4-5,8,18H2,1-2H3;4,7-8,10-12,15,18-19,21,24,36H,5-6,9,13-14,16-17,20H2,1-3H3;3,6-7,9-17,19,36H,4-5,8,18H2,1-2H3;3,6-7,9-11,14,17-20,26,30-31H,2,4-5,8,12-13,15-16,21H2,1H3;3-4,6,8-10,14,17-19,25,29H,2,5,7,11-13,15-16,20H2,1H3;2,5-6,8-13,16-17,20,28-29H,3-4,7,14-15,18-19H2,1H3;3,7-8,10-15,18,24,28,32H,2,4-6,9,16-17,19-20H2,1H3;2,5-6,8-13,16,24,27,31H,3-4,7,14-15,17-18H2,1H3;3,6-7,9-14,17,23,27,31H,2,4-5,8,15-16,18-19H2,1H3;2*2,5-6,8-9,12-15,18,28H,3-4,7,10-11,16-17H2,1H3;2*2,5-6,8-13,16,19,26,30H,3-4,7,14-15,17-18H2,1H3;3,5-7,9,13,16-18,22,26H,2,4,8,10-12,14-15,19H2,1H3;2,4-6,8,10-11,14-15,18,24H,3,7,9,12-13,16-17H2,1H3/t;;;;;20-;;;;2*18-;2*19-;;18-/m.....0...1010.0/s1.
What are the key properties of 5-bromo-N-[[3-[2-[3-(3-chloro-4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-propan-2-ylpyridine-3-carboxamide;N-[[3-[2-[3-(3-chloro-4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-1-methyl-N-propan-2-ylpiperidine-4-carboxamide;N-[[3-[2-[3-(3-chloro-4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-propan-2-yl-4-(trifluoromethyl)pyridine-3-carboxamide;N-[[3-[2-[3-(3-chlorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-ethylpiperidin-4-amine;2-[3-(3,5-difluorophenyl)propyl]-4-[3-[[(3S)-3-methylpiperazin-1-yl]methyl]phenyl]pyrimidine;2-[3-(3,5-difluorophenyl)propyl]-4-[3-[[(3R)-3-methylpiperazin-1-yl]methyl]phenyl]pyrimidine;N-ethyl-N-[[3-[2-[3-(1H-indol-5-yl)propyl]pyrimidin-4-yl]phenyl]methyl]piperidin-4-amine;4-[3-[4-[3-[(2-ethylpiperazin-1-yl)methyl]phenyl]pyrimidin-2-yl]propyl]phenol;N-ethyl-N-[[3-[2-(3-thiophen-2-ylpropyl)pyrimidin-4-yl]phenyl]methyl]piperidin-4-amine;methyl 4-[[3-[2-[3-(4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]piperazine-2-carboxylate;5-[3-[4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]-1H-indole;4-[3-[4-[3-[[(3S)-3-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]phenol;4-[3-[4-[3-[[(3R)-3-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]phenol;4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]-2-(3-thiophen-2-ylpropyl)pyrimidine;4-[3-[4-[3-[(2-propylpiperazin-1-yl)methyl]phenyl]pyrimidin-2-yl]propyl]phenol?
5-bromo-N-[[3-[2-[3-(3-chloro-4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-propan-2-ylpyridine-3-carboxamide;N-[[3-[2-[3-(3-chloro-4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-1-methyl-N-propan-2-ylpiperidine-4-carboxamide;N-[[3-[2-[3-(3-chloro-4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-propan-2-yl-4-(trifluoromethyl)pyridine-3-carboxamide;N-[[3-[2-[3-(3-chlorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-ethylpiperidin-4-amine;2-[3-(3,5-difluorophenyl)propyl]-4-[3-[[(3S)-3-methylpiperazin-1-yl]methyl]phenyl]pyrimidine;2-[3-(3,5-difluorophenyl)propyl]-4-[3-[[(3R)-3-methylpiperazin-1-yl]methyl]phenyl]pyrimidine;N-ethyl-N-[[3-[2-[3-(1H-indol-5-yl)propyl]pyrimidin-4-yl]phenyl]methyl]piperidin-4-amine;4-[3-[4-[3-[(2-ethylpiperazin-1-yl)methyl]phenyl]pyrimidin-2-yl]propyl]phenol;N-ethyl-N-[[3-[2-(3-thiophen-2-ylpropyl)pyrimidin-4-yl]phenyl]methyl]piperidin-4-amine;methyl 4-[[3-[2-[3-(4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]piperazine-2-carboxylate;5-[3-[4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]-1H-indole;4-[3-[4-[3-[[(3S)-3-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]phenol;4-[3-[4-[3-[[(3R)-3-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]phenol;4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]-2-(3-thiophen-2-ylpropyl)pyrimidine;4-[3-[4-[3-[(2-propylpiperazin-1-yl)methyl]phenyl]pyrimidin-2-yl]propyl]phenol has a molecular weight of 6755.36 g/mol, XLogP of 72.62, 121 rotatable bonds, 22 hydrogen bond donors, and 72 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[[3-[2-[3-(3-chloro-4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-propan-2-ylpyridine-3-carboxamide;N-[[3-[2-[3-(3-chloro-4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-1-methyl-N-propan-2-ylpiperidine-4-carboxamide;N-[[3-[2-[3-(3-chloro-4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-propan-2-yl-4-(trifluoromethyl)pyridine-3-carboxamide;N-[[3-[2-[3-(3-chlorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-ethylpiperidin-4-amine;2-[3-(3,5-difluorophenyl)propyl]-4-[3-[[(3S)-3-methylpiperazin-1-yl]methyl]phenyl]pyrimidine;2-[3-(3,5-difluorophenyl)propyl]-4-[3-[[(3R)-3-methylpiperazin-1-yl]methyl]phenyl]pyrimidine;N-ethyl-N-[[3-[2-[3-(1H-indol-5-yl)propyl]pyrimidin-4-yl]phenyl]methyl]piperidin-4-amine;4-[3-[4-[3-[(2-ethylpiperazin-1-yl)methyl]phenyl]pyrimidin-2-yl]propyl]phenol;N-ethyl-N-[[3-[2-(3-thiophen-2-ylpropyl)pyrimidin-4-yl]phenyl]methyl]piperidin-4-amine;methyl 4-[[3-[2-[3-(4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]piperazine-2-carboxylate;5-[3-[4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]-1H-indole;4-[3-[4-[3-[[(3S)-3-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]phenol;4-[3-[4-[3-[[(3R)-3-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]phenol;4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]-2-(3-thiophen-2-ylpropyl)pyrimidine;4-[3-[4-[3-[(2-propylpiperazin-1-yl)methyl]phenyl]pyrimidin-2-yl]propyl]phenol is sourced from PubChem (CID 162136585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).