N-(3-aminopropyl)-N-[[3-[2-[3-(6-fluoro-1H-indol-3-yl)propyl]pyrimidin-4-yl]phenyl]methyl]methanesulfonamide;N-(3-aminopropyl)-N-[[3-[2-[3-(4-fluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]methanesulfonamide;N-(3-aminopropyl)-N-[[3-[2-[3-(4-hydroxy-3,5-dimethoxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]methanesulfonamide;N-(3-aminopropyl)-N-[[3-[2-[(3S)-3-hydroxy-3-(3-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]methanesulfonamide;N-(3-aminopropyl)-N-[[3-[2-[2-(4-hydroxy-3-methoxyphenyl)ethyl]pyrimidin-4-yl]phenyl]methyl]methanesulfonamide;N-(3-aminopropyl)-N-[[3-[2-[3-(4-hydroxy-3-methoxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]methanesulfonamide;N-(3-aminopropyl)-N-[[3-[2-[3-(1H-indol-3-yl)propyl]pyrimidin-4-yl]phenyl]methyl]methanesulfonamide;N-(3-aminopropyl)-N-[[3-[2-(3-phenylpropyl)pyrimidin-4-yl]phenyl]methyl]methanesulfonamide;N-(3-aminopropyl)-N-[[3-[2-(3-pyridin-4-ylpropyl)pyrimidin-4-yl]phenyl]methyl]methanesulfonamide;tert-butyl 5-[[3-[2-[3-(4-hydroxy-3-methoxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl-methylsulfonylamino]pentanoate

C253H316F2N42O33S10 — CID 158669498

IUPACN-(3-aminopropyl)-N-[[3-[2-[3-(6-fluoro-1H-indol-3-yl)propyl]pyrimidin-4-yl]phenyl]methyl]methanesulfonamide;N-(3-aminopropyl)-N-[[3-[2-[3-(4-fluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]methanesulfonamide;N-(3-aminopropyl)-N-[[3-[2-[3-(4-hydroxy-3,5-dimethoxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]methanesulfonamide;N-(3-aminopropyl)-N-[[3-[2-[(3S)-3-hydroxy-3-(3-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]methanesulfonamide;N-(3-aminopropyl)-N-[[3-[2-[2-(4-hydroxy-3-methoxyphenyl)ethyl]pyrimidin-4-yl]phenyl]methyl]methanesulfonamide;N-(3-aminopropyl)-N-[[3-[2-[3-(4-hydroxy-3-methoxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]methanesulfonamide;N-(3-aminopropyl)-N-[[3-[2-[3-(1H-indol-3-yl)propyl]pyrimidin-4-yl]phenyl]methyl]methanesulfonamide;N-(3-aminopropyl)-N-[[3-[2-(3-phenylpropyl)pyrimidin-4-yl]phenyl]methyl]methanesulfonamide;N-(3-aminopropyl)-N-[[3-[2-(3-pyridin-4-ylpropyl)pyrimidin-4-yl]phenyl]methyl]methanesulfonamide;tert-butyl 5-[[3-[2-[3-(4-hydroxy-3-methoxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl-methylsulfonylamino]pentanoate
SMILESCOc1cc(CCCc2nccc(-c3cccc(CN(CCCCC(=O)OC(C)(C)C)S(C)(=O)=O)c3)n2)ccc1O.COc1cc(CCCc2nccc(-c3cccc(CN(CCCN)S(C)(=O)=O)c3)n2)cc(OC)c1O.COc1cc(CCCc2nccc(-c3cccc(CN(CCCN)S(C)(=O)=O)c3)n2)ccc1O.COc1cc(CCc2nccc(-c3cccc(CN(CCCN)S(C)(=O)=O)c3)n2)ccc1O.CS(=O)(=O)N(CCCN)Cc1cccc(-c2ccnc(CCCc3c[nH]c4cc(F)ccc34)n2)c1.CS(=O)(=O)N(CCCN)Cc1cccc(-c2ccnc(CCCc3c[nH]c4ccccc34)n2)c1.CS(=O)(=O)N(CCCN)Cc1cccc(-c2ccnc(CCCc3ccc(F)cc3)n2)c1.CS(=O)(=O)N(CCCN)Cc1cccc(-c2ccnc(CCCc3ccccc3)n2)c1.CS(=O)(=O)N(CCCN)Cc1cccc(-c2ccnc(CCCc3ccncc3)n2)c1.CS(=O)(=O)N(CCCN)Cc1cccc(-c2ccnc(CC[C@H](O)c3cccc(O)c3)n2)c1
InChIInChI=1S/C31H41N3O6S.C26H30FN5O2S.C26H31N5O2S.C26H34N4O5S.C25H32N4O4S.C24H29FN4O2S.2C24H30N4O4S.C24H30N4O2S.C23H29N5O2S/c1-31(2,3)40-30(36)14-6-7-19-34(41(5,37)38)22-24-11-8-12-25(20-24)26-17-18-32-29(33-26)13-9-10-23-15-16-27(35)28(21-23)39-4;1-35(33,34)32(14-4-12-28)18-19-5-2-6-20(15-19)24-11-13-29-26(31-24)8-3-7-21-17-30-25-16-22(27)9-10-23(21)25;1-34(32,33)31(16-6-14-27)19-20-7-4-8-21(17-20)24-13-15-28-26(30-24)12-5-9-22-18-29-25-11-3-2-10-23(22)25;1-34-23-16-19(17-24(35-2)26(23)31)7-5-10-25-28-13-11-22(29-25)21-9-4-8-20(15-21)18-30(14-6-12-27)36(3,32)33;1-33-24-17-19(10-11-23(24)30)6-4-9-25-27-14-12-22(28-25)21-8-3-7-20(16-21)18-29(15-5-13-26)34(2,31)32;1-32(30,31)29(16-4-14-26)18-20-6-2-7-21(17-20)23-13-15-27-24(28-23)8-3-5-19-9-11-22(25)12-10-19;1-32-23-16-18(7-9-22(23)29)8-10-24-26-13-11-21(27-24)20-6-3-5-19(15-20)17-28(14-4-12-25)33(2,30)31;1-33(31,32)28(14-4-12-25)17-18-5-2-6-19(15-18)22-11-13-26-24(27-22)10-9-23(30)20-7-3-8-21(29)16-20;1-31(29,30)28(17-7-15-25)19-21-11-5-12-22(18-21)23-14-16-26-24(27-23)13-6-10-20-8-3-2-4-9-20;1-31(29,30)28(16-4-12-24)18-20-6-2-7-21(17-20)22-11-15-26-23(27-22)8-3-5-19-9-13-25-14-10-19/h8,11-12,15-18,20-21,35H,6-7,9-10,13-14,19,22H2,1-5H3;2,5-6,9-11,13,15-17,30H,3-4,7-8,12,14,18,28H2,1H3;2-4,7-8,10-11,13,15,17-18,29H,5-6,9,12,14,16,19,27H2,1H3;4,8-9,11,13,15-17,31H,5-7,10,12,14,18,27H2,1-3H3;3,7-8,10-12,14,16-17,30H,4-6,9,13,15,18,26H2,1-2H3;2,6-7,9-13,15,17H,3-5,8,14,16,18,26H2,1H3;3,5-7,9,11,13,15-16,29H,4,8,10,12,14,17,25H2,1-2H3;2-3,5-8,11,13,15-16,23,29-30H,4,9-10,12,14,17,25H2,1H3;2-5,8-9,11-12,14,16,18H,6-7,10,13,15,17,19,25H2,1H3;2,6-7,9-11,13-15,17H,3-5,8,12,16,18,24H2,1H3/t;;;;;;;23-;;/m.......0../s1
InChIKeyIDTTVLGDYCECAJ-CBOZXYPUSA-N
MW4832.24 g/mol
LogP34.76
Rot. Bonds116

About N-(3-aminopropyl)-N-[[3-[2-[3-(6-fluoro-1H-indol-3-yl)propyl]pyrimidin-4-yl]phenyl]methyl]methanesulfonamide;N-(3-aminopropyl)-N-[[3-[2-[3-(4-fluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]methanesulfonamide;N-(3-aminopropyl)-N-[[3-[2-[3-(4-hydroxy-3,5-dimethoxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]methanesulfonamide;N-(3-aminopropyl)-N-[[3-[2-[(3S)-3-hydroxy-3-(3-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]methanesulfonamide;N-(3-aminopropyl)-N-[[3-[2-[2-(4-hydroxy-3-methoxyphenyl)ethyl]pyrimidin-4-yl]phenyl]methyl]methanesulfonamide;N-(3-aminopropyl)-N-[[3-[2-[3-(4-hydroxy-3-methoxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]methanesulfonamide;N-(3-aminopropyl)-N-[[3-[2-[3-(1H-indol-3-yl)propyl]pyrimidin-4-yl]phenyl]methyl]methanesulfonamide;N-(3-aminopropyl)-N-[[3-[2-(3-phenylpropyl)pyrimidin-4-yl]phenyl]methyl]methanesulfonamide;N-(3-aminopropyl)-N-[[3-[2-(3-pyridin-4-ylpropyl)pyrimidin-4-yl]phenyl]methyl]methanesulfonamide;tert-butyl 5-[[3-[2-[3-(4-hydroxy-3-methoxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl-methylsulfonylamino]pentanoate

N-(3-aminopropyl)-N-[[3-[2-[3-(6-fluoro-1H-indol-3-yl)propyl]pyrimidin-4-yl]phenyl]methyl]methanesulfonamide;N-(3-aminopropyl)-N-[[3-[2-[3-(4-fluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]methanesulfonamide;N-(3-aminopropyl)-N-[[3-[2-[3-(4-hydroxy-3,5-dimethoxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]methanesulfonamide;N-(3-aminopropyl)-N-[[3-[2-[(3S)-3-hydroxy-3-(3-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]methanesulfonamide;N-(3-aminopropyl)-N-[[3-[2-[2-(4-hydroxy-3-methoxyphenyl)ethyl]pyrimidin-4-yl]phenyl]methyl]methanesulfonamide;N-(3-aminopropyl)-N-[[3-[2-[3-(4-hydroxy-3-methoxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]methanesulfonamide;N-(3-aminopropyl)-N-[[3-[2-[3-(1H-indol-3-yl)propyl]pyrimidin-4-yl]phenyl]methyl]methanesulfonamide;N-(3-aminopropyl)-N-[[3-[2-(3-phenylpropyl)pyrimidin-4-yl]phenyl]methyl]methanesulfonamide;N-(3-aminopropyl)-N-[[3-[2-(3-pyridin-4-ylpropyl)pyrimidin-4-yl]phenyl]methyl]methanesulfonamide;tert-butyl 5-[[3-[2-[3-(4-hydroxy-3-methoxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl-methylsulfonylamino]pentanoate (PubChem CID 158669498) has the molecular formula C253H316F2N42O33S10 and a molecular weight of 4832.24 g/mol. Its IUPAC name is N-(3-aminopropyl)-N-[[3-[2-[3-(6-fluoro-1H-indol-3-yl)propyl]pyrimidin-4-yl]phenyl]methyl]methanesulfonamide;N-(3-aminopropyl)-N-[[3-[2-[3-(4-fluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]methanesulfonamide;N-(3-aminopropyl)-N-[[3-[2-[3-(4-hydroxy-3,5-dimethoxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]methanesulfonamide;N-(3-aminopropyl)-N-[[3-[2-[(3S)-3-hydroxy-3-(3-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]methanesulfonamide;N-(3-aminopropyl)-N-[[3-[2-[2-(4-hydroxy-3-methoxyphenyl)ethyl]pyrimidin-4-yl]phenyl]methyl]methanesulfonamide;N-(3-aminopropyl)-N-[[3-[2-[3-(4-hydroxy-3-methoxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]methanesulfonamide;N-(3-aminopropyl)-N-[[3-[2-[3-(1H-indol-3-yl)propyl]pyrimidin-4-yl]phenyl]methyl]methanesulfonamide;N-(3-aminopropyl)-N-[[3-[2-(3-phenylpropyl)pyrimidin-4-yl]phenyl]methyl]methanesulfonamide;N-(3-aminopropyl)-N-[[3-[2-(3-pyridin-4-ylpropyl)pyrimidin-4-yl]phenyl]methyl]methanesulfonamide;tert-butyl 5-[[3-[2-[3-(4-hydroxy-3-methoxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl-methylsulfonylamino]pentanoate.

Molecular Properties

Compound NameN-(3-aminopropyl)-N-[[3-[2-[3-(6-fluoro-1H-indol-3-yl)propyl]pyrimidin-4-yl]phenyl]methyl]methanesulfonamide;N-(3-aminopropyl)-N-[[3-[2-[3-(4-fluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]methanesulfonamide;N-(3-aminopropyl)-N-[[3-[2-[3-(4-hydroxy-3,5-dimethoxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]methanesulfonamide;N-(3-aminopropyl)-N-[[3-[2-[(3S)-3-hydroxy-3-(3-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]methanesulfonamide;N-(3-aminopropyl)-N-[[3-[2-[2-(4-hydroxy-3-methoxyphenyl)ethyl]pyrimidin-4-yl]phenyl]methyl]methanesulfonamide;N-(3-aminopropyl)-N-[[3-[2-[3-(4-hydroxy-3-methoxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]methanesulfonamide;N-(3-aminopropyl)-N-[[3-[2-[3-(1H-indol-3-yl)propyl]pyrimidin-4-yl]phenyl]methyl]methanesulfonamide;N-(3-aminopropyl)-N-[[3-[2-(3-phenylpropyl)pyrimidin-4-yl]phenyl]methyl]methanesulfonamide;N-(3-aminopropyl)-N-[[3-[2-(3-pyridin-4-ylpropyl)pyrimidin-4-yl]phenyl]methyl]methanesulfonamide;tert-butyl 5-[[3-[2-[3-(4-hydroxy-3-methoxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl-methylsulfonylamino]pentanoate
PubChem CID158669498
Molecular FormulaC253H316F2N42O33S10
Molecular Weight4832.24 g/mol
Exact Mass4828.15
IUPAC NameN-(3-aminopropyl)-N-[[3-[2-[3-(6-fluoro-1H-indol-3-yl)propyl]pyrimidin-4-yl]phenyl]methyl]methanesulfonamide;N-(3-aminopropyl)-N-[[3-[2-[3-(4-fluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]methanesulfonamide;N-(3-aminopropyl)-N-[[3-[2-[3-(4-hydroxy-3,5-dimethoxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]methanesulfonamide;N-(3-aminopropyl)-N-[[3-[2-[(3S)-3-hydroxy-3-(3-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]methanesulfonamide;N-(3-aminopropyl)-N-[[3-[2-[2-(4-hydroxy-3-methoxyphenyl)ethyl]pyrimidin-4-yl]phenyl]methyl]methanesulfonamide;N-(3-aminopropyl)-N-[[3-[2-[3-(4-hydroxy-3-methoxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]methanesulfonamide;N-(3-aminopropyl)-N-[[3-[2-[3-(1H-indol-3-yl)propyl]pyrimidin-4-yl]phenyl]methyl]methanesulfonamide;N-(3-aminopropyl)-N-[[3-[2-(3-phenylpropyl)pyrimidin-4-yl]phenyl]methyl]methanesulfonamide;N-(3-aminopropyl)-N-[[3-[2-(3-pyridin-4-ylpropyl)pyrimidin-4-yl]phenyl]methyl]methanesulfonamide;tert-butyl 5-[[3-[2-[3-(4-hydroxy-3-methoxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl-methylsulfonylamino]pentanoate
SMILESCOc1cc(CCCc2nccc(-c3cccc(CN(CCCCC(=O)OC(C)(C)C)S(C)(=O)=O)c3)n2)ccc1O.COc1cc(CCCc2nccc(-c3cccc(CN(CCCN)S(C)(=O)=O)c3)n2)cc(OC)c1O.COc1cc(CCCc2nccc(-c3cccc(CN(CCCN)S(C)(=O)=O)c3)n2)ccc1O.COc1cc(CCc2nccc(-c3cccc(CN(CCCN)S(C)(=O)=O)c3)n2)ccc1O.CS(=O)(=O)N(CCCN)Cc1cccc(-c2ccnc(CCCc3c[nH]c4cc(F)ccc34)n2)c1.CS(=O)(=O)N(CCCN)Cc1cccc(-c2ccnc(CCCc3c[nH]c4ccccc34)n2)c1.CS(=O)(=O)N(CCCN)Cc1cccc(-c2ccnc(CCCc3ccc(F)cc3)n2)c1.CS(=O)(=O)N(CCCN)Cc1cccc(-c2ccnc(CCCc3ccccc3)n2)c1.CS(=O)(=O)N(CCCN)Cc1cccc(-c2ccnc(CCCc3ccncc3)n2)c1.CS(=O)(=O)N(CCCN)Cc1cccc(-c2ccnc(CC[C@H](O)c3cccc(O)c3)n2)c1
InChIInChI=1S/C31H41N3O6S.C26H30FN5O2S.C26H31N5O2S.C26H34N4O5S.C25H32N4O4S.C24H29FN4O2S.2C24H30N4O4S.C24H30N4O2S.C23H29N5O2S/c1-31(2,3)40-30(36)14-6-7-19-34(41(5,37)38)22-24-11-8-12-25(20-24)26-17-18-32-29(33-26)13-9-10-23-15-16-27(35)28(21-23)39-4;1-35(33,34)32(14-4-12-28)18-19-5-2-6-20(15-19)24-11-13-29-26(31-24)8-3-7-21-17-30-25-16-22(27)9-10-23(21)25;1-34(32,33)31(16-6-14-27)19-20-7-4-8-21(17-20)24-13-15-28-26(30-24)12-5-9-22-18-29-25-11-3-2-10-23(22)25;1-34-23-16-19(17-24(35-2)26(23)31)7-5-10-25-28-13-11-22(29-25)21-9-4-8-20(15-21)18-30(14-6-12-27)36(3,32)33;1-33-24-17-19(10-11-23(24)30)6-4-9-25-27-14-12-22(28-25)21-8-3-7-20(16-21)18-29(15-5-13-26)34(2,31)32;1-32(30,31)29(16-4-14-26)18-20-6-2-7-21(17-20)23-13-15-27-24(28-23)8-3-5-19-9-11-22(25)12-10-19;1-32-23-16-18(7-9-22(23)29)8-10-24-26-13-11-21(27-24)20-6-3-5-19(15-20)17-28(14-4-12-25)33(2,30)31;1-33(31,32)28(14-4-12-25)17-18-5-2-6-19(15-18)22-11-13-26-24(27-22)10-9-23(30)20-7-3-8-21(29)16-20;1-31(29,30)28(17-7-15-25)19-21-11-5-12-22(18-21)23-14-16-26-24(27-23)13-6-10-20-8-3-2-4-9-20;1-31(29,30)28(16-4-12-24)18-20-6-2-7-21(17-20)22-11-15-26-23(27-22)8-3-5-19-9-13-25-14-10-19/h8,11-12,15-18,20-21,35H,6-7,9-10,13-14,19,22H2,1-5H3;2,5-6,9-11,13,15-17,30H,3-4,7-8,12,14,18,28H2,1H3;2-4,7-8,10-11,13,15,17-18,29H,5-6,9,12,14,16,19,27H2,1H3;4,8-9,11,13,15-17,31H,5-7,10,12,14,18,27H2,1-3H3;3,7-8,10-12,14,16-17,30H,4-6,9,13,15,18,26H2,1-2H3;2,6-7,9-13,15,17H,3-5,8,14,16,18,26H2,1H3;3,5-7,9,11,13,15-16,29H,4,8,10,12,14,17,25H2,1-2H3;2-3,5-8,11,13,15-16,23,29-30H,4,9-10,12,14,17,25H2,1H3;2-5,8-9,11-12,14,16,18H,6-7,10,13,15,17,19,25H2,1H3;2,6-7,9-11,13-15,17H,3-5,8,12,16,18,24H2,1H3/t;;;;;;;23-;;/m.......0../s1
InChIKeyIDTTVLGDYCECAJ-CBOZXYPUSA-N
XLogP34.76
TPSA1104.08 Ų
H-Bond Donors17
H-Bond Acceptors63
Rotatable Bonds116
Heavy Atoms340
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004832.24
LogP ≤ 534.76
H-Bond Donors ≤ 517
H-Bond Acceptors ≤ 1063

Analyze N-(3-aminopropyl)-N-[[3-[2-[3-(6-fluoro-1H-indol-3-yl)propyl]pyrimidin-4-yl]phenyl]methyl]methanesulfonamide;N-(3-aminopropyl)-N-[[3-[2-[3-(4-fluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]methanesulfonamide;N-(3-aminopropyl)-N-[[3-[2-[3-(4-hydroxy-3,5-dimethoxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]methanesulfonamide;N-(3-aminopropyl)-N-[[3-[2-[(3S)-3-hydroxy-3-(3-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]methanesulfonamide;N-(3-aminopropyl)-N-[[3-[2-[2-(4-hydroxy-3-methoxyphenyl)ethyl]pyrimidin-4-yl]phenyl]methyl]methanesulfonamide;N-(3-aminopropyl)-N-[[3-[2-[3-(4-hydroxy-3-methoxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]methanesulfonamide;N-(3-aminopropyl)-N-[[3-[2-[3-(1H-indol-3-yl)propyl]pyrimidin-4-yl]phenyl]methyl]methanesulfonamide;N-(3-aminopropyl)-N-[[3-[2-(3-phenylpropyl)pyrimidin-4-yl]phenyl]methyl]methanesulfonamide;N-(3-aminopropyl)-N-[[3-[2-(3-pyridin-4-ylpropyl)pyrimidin-4-yl]phenyl]methyl]methanesulfonamide;tert-butyl 5-[[3-[2-[3-(4-hydroxy-3-methoxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl-methylsulfonylamino]pentanoate with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-N-[[3-[2-[3-(6-fluoro-1H-indol-3-yl)propyl]pyrimidin-4-yl]phenyl]methyl]methanesulfonamide;N-(3-aminopropyl)-N-[[3-[2-[3-(4-fluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]methanesulfonamide;N-(3-aminopropyl)-N-[[3-[2-[3-(4-hydroxy-3,5-dimethoxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]methanesulfonamide;N-(3-aminopropyl)-N-[[3-[2-[(3S)-3-hydroxy-3-(3-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]methanesulfonamide;N-(3-aminopropyl)-N-[[3-[2-[2-(4-hydroxy-3-methoxyphenyl)ethyl]pyrimidin-4-yl]phenyl]methyl]methanesulfonamide;N-(3-aminopropyl)-N-[[3-[2-[3-(4-hydroxy-3-methoxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]methanesulfonamide;N-(3-aminopropyl)-N-[[3-[2-[3-(1H-indol-3-yl)propyl]pyrimidin-4-yl]phenyl]methyl]methanesulfonamide;N-(3-aminopropyl)-N-[[3-[2-(3-phenylpropyl)pyrimidin-4-yl]phenyl]methyl]methanesulfonamide;N-(3-aminopropyl)-N-[[3-[2-(3-pyridin-4-ylpropyl)pyrimidin-4-yl]phenyl]methyl]methanesulfonamide;tert-butyl 5-[[3-[2-[3-(4-hydroxy-3-methoxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl-methylsulfonylamino]pentanoate?
The IUPAC name of N-(3-aminopropyl)-N-[[3-[2-[3-(6-fluoro-1H-indol-3-yl)propyl]pyrimidin-4-yl]phenyl]methyl]methanesulfonamide;N-(3-aminopropyl)-N-[[3-[2-[3-(4-fluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]methanesulfonamide;N-(3-aminopropyl)-N-[[3-[2-[3-(4-hydroxy-3,5-dimethoxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]methanesulfonamide;N-(3-aminopropyl)-N-[[3-[2-[(3S)-3-hydroxy-3-(3-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]methanesulfonamide;N-(3-aminopropyl)-N-[[3-[2-[2-(4-hydroxy-3-methoxyphenyl)ethyl]pyrimidin-4-yl]phenyl]methyl]methanesulfonamide;N-(3-aminopropyl)-N-[[3-[2-[3-(4-hydroxy-3-methoxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]methanesulfonamide;N-(3-aminopropyl)-N-[[3-[2-[3-(1H-indol-3-yl)propyl]pyrimidin-4-yl]phenyl]methyl]methanesulfonamide;N-(3-aminopropyl)-N-[[3-[2-(3-phenylpropyl)pyrimidin-4-yl]phenyl]methyl]methanesulfonamide;N-(3-aminopropyl)-N-[[3-[2-(3-pyridin-4-ylpropyl)pyrimidin-4-yl]phenyl]methyl]methanesulfonamide;tert-butyl 5-[[3-[2-[3-(4-hydroxy-3-methoxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl-methylsulfonylamino]pentanoate (CID 158669498) is N-(3-aminopropyl)-N-[[3-[2-[3-(6-fluoro-1H-indol-3-yl)propyl]pyrimidin-4-yl]phenyl]methyl]methanesulfonamide;N-(3-aminopropyl)-N-[[3-[2-[3-(4-fluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]methanesulfonamide;N-(3-aminopropyl)-N-[[3-[2-[3-(4-hydroxy-3,5-dimethoxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]methanesulfonamide;N-(3-aminopropyl)-N-[[3-[2-[(3S)-3-hydroxy-3-(3-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]methanesulfonamide;N-(3-aminopropyl)-N-[[3-[2-[2-(4-hydroxy-3-methoxyphenyl)ethyl]pyrimidin-4-yl]phenyl]methyl]methanesulfonamide;N-(3-aminopropyl)-N-[[3-[2-[3-(4-hydroxy-3-methoxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]methanesulfonamide;N-(3-aminopropyl)-N-[[3-[2-[3-(1H-indol-3-yl)propyl]pyrimidin-4-yl]phenyl]methyl]methanesulfonamide;N-(3-aminopropyl)-N-[[3-[2-(3-phenylpropyl)pyrimidin-4-yl]phenyl]methyl]methanesulfonamide;N-(3-aminopropyl)-N-[[3-[2-(3-pyridin-4-ylpropyl)pyrimidin-4-yl]phenyl]methyl]methanesulfonamide;tert-butyl 5-[[3-[2-[3-(4-hydroxy-3-methoxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl-methylsulfonylamino]pentanoate.
What is the SMILES notation for N-(3-aminopropyl)-N-[[3-[2-[3-(6-fluoro-1H-indol-3-yl)propyl]pyrimidin-4-yl]phenyl]methyl]methanesulfonamide;N-(3-aminopropyl)-N-[[3-[2-[3-(4-fluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]methanesulfonamide;N-(3-aminopropyl)-N-[[3-[2-[3-(4-hydroxy-3,5-dimethoxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]methanesulfonamide;N-(3-aminopropyl)-N-[[3-[2-[(3S)-3-hydroxy-3-(3-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]methanesulfonamide;N-(3-aminopropyl)-N-[[3-[2-[2-(4-hydroxy-3-methoxyphenyl)ethyl]pyrimidin-4-yl]phenyl]methyl]methanesulfonamide;N-(3-aminopropyl)-N-[[3-[2-[3-(4-hydroxy-3-methoxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]methanesulfonamide;N-(3-aminopropyl)-N-[[3-[2-[3-(1H-indol-3-yl)propyl]pyrimidin-4-yl]phenyl]methyl]methanesulfonamide;N-(3-aminopropyl)-N-[[3-[2-(3-phenylpropyl)pyrimidin-4-yl]phenyl]methyl]methanesulfonamide;N-(3-aminopropyl)-N-[[3-[2-(3-pyridin-4-ylpropyl)pyrimidin-4-yl]phenyl]methyl]methanesulfonamide;tert-butyl 5-[[3-[2-[3-(4-hydroxy-3-methoxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl-methylsulfonylamino]pentanoate?
The canonical SMILES for N-(3-aminopropyl)-N-[[3-[2-[3-(6-fluoro-1H-indol-3-yl)propyl]pyrimidin-4-yl]phenyl]methyl]methanesulfonamide;N-(3-aminopropyl)-N-[[3-[2-[3-(4-fluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]methanesulfonamide;N-(3-aminopropyl)-N-[[3-[2-[3-(4-hydroxy-3,5-dimethoxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]methanesulfonamide;N-(3-aminopropyl)-N-[[3-[2-[(3S)-3-hydroxy-3-(3-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]methanesulfonamide;N-(3-aminopropyl)-N-[[3-[2-[2-(4-hydroxy-3-methoxyphenyl)ethyl]pyrimidin-4-yl]phenyl]methyl]methanesulfonamide;N-(3-aminopropyl)-N-[[3-[2-[3-(4-hydroxy-3-methoxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]methanesulfonamide;N-(3-aminopropyl)-N-[[3-[2-[3-(1H-indol-3-yl)propyl]pyrimidin-4-yl]phenyl]methyl]methanesulfonamide;N-(3-aminopropyl)-N-[[3-[2-(3-phenylpropyl)pyrimidin-4-yl]phenyl]methyl]methanesulfonamide;N-(3-aminopropyl)-N-[[3-[2-(3-pyridin-4-ylpropyl)pyrimidin-4-yl]phenyl]methyl]methanesulfonamide;tert-butyl 5-[[3-[2-[3-(4-hydroxy-3-methoxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl-methylsulfonylamino]pentanoate is COc1cc(CCCc2nccc(-c3cccc(CN(CCCCC(=O)OC(C)(C)C)S(C)(=O)=O)c3)n2)ccc1O.COc1cc(CCCc2nccc(-c3cccc(CN(CCCN)S(C)(=O)=O)c3)n2)cc(OC)c1O.COc1cc(CCCc2nccc(-c3cccc(CN(CCCN)S(C)(=O)=O)c3)n2)ccc1O.COc1cc(CCc2nccc(-c3cccc(CN(CCCN)S(C)(=O)=O)c3)n2)ccc1O.CS(=O)(=O)N(CCCN)Cc1cccc(-c2ccnc(CCCc3c[nH]c4cc(F)ccc34)n2)c1.CS(=O)(=O)N(CCCN)Cc1cccc(-c2ccnc(CCCc3c[nH]c4ccccc34)n2)c1.CS(=O)(=O)N(CCCN)Cc1cccc(-c2ccnc(CCCc3ccc(F)cc3)n2)c1.CS(=O)(=O)N(CCCN)Cc1cccc(-c2ccnc(CCCc3ccccc3)n2)c1.CS(=O)(=O)N(CCCN)Cc1cccc(-c2ccnc(CCCc3ccncc3)n2)c1.CS(=O)(=O)N(CCCN)Cc1cccc(-c2ccnc(CC[C@H](O)c3cccc(O)c3)n2)c1.
What is the InChIKey of N-(3-aminopropyl)-N-[[3-[2-[3-(6-fluoro-1H-indol-3-yl)propyl]pyrimidin-4-yl]phenyl]methyl]methanesulfonamide;N-(3-aminopropyl)-N-[[3-[2-[3-(4-fluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]methanesulfonamide;N-(3-aminopropyl)-N-[[3-[2-[3-(4-hydroxy-3,5-dimethoxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]methanesulfonamide;N-(3-aminopropyl)-N-[[3-[2-[(3S)-3-hydroxy-3-(3-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]methanesulfonamide;N-(3-aminopropyl)-N-[[3-[2-[2-(4-hydroxy-3-methoxyphenyl)ethyl]pyrimidin-4-yl]phenyl]methyl]methanesulfonamide;N-(3-aminopropyl)-N-[[3-[2-[3-(4-hydroxy-3-methoxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]methanesulfonamide;N-(3-aminopropyl)-N-[[3-[2-[3-(1H-indol-3-yl)propyl]pyrimidin-4-yl]phenyl]methyl]methanesulfonamide;N-(3-aminopropyl)-N-[[3-[2-(3-phenylpropyl)pyrimidin-4-yl]phenyl]methyl]methanesulfonamide;N-(3-aminopropyl)-N-[[3-[2-(3-pyridin-4-ylpropyl)pyrimidin-4-yl]phenyl]methyl]methanesulfonamide;tert-butyl 5-[[3-[2-[3-(4-hydroxy-3-methoxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl-methylsulfonylamino]pentanoate?
The InChIKey is IDTTVLGDYCECAJ-CBOZXYPUSA-N. The full InChI is InChI=1S/C31H41N3O6S.C26H30FN5O2S.C26H31N5O2S.C26H34N4O5S.C25H32N4O4S.C24H29FN4O2S.2C24H30N4O4S.C24H30N4O2S.C23H29N5O2S/c1-31(2,3)40-30(36)14-6-7-19-34(41(5,37)38)22-24-11-8-12-25(20-24)26-17-18-32-29(33-26)13-9-10-23-15-16-27(35)28(21-23)39-4;1-35(33,34)32(14-4-12-28)18-19-5-2-6-20(15-19)24-11-13-29-26(31-24)8-3-7-21-17-30-25-16-22(27)9-10-23(21)25;1-34(32,33)31(16-6-14-27)19-20-7-4-8-21(17-20)24-13-15-28-26(30-24)12-5-9-22-18-29-25-11-3-2-10-23(22)25;1-34-23-16-19(17-24(35-2)26(23)31)7-5-10-25-28-13-11-22(29-25)21-9-4-8-20(15-21)18-30(14-6-12-27)36(3,32)33;1-33-24-17-19(10-11-23(24)30)6-4-9-25-27-14-12-22(28-25)21-8-3-7-20(16-21)18-29(15-5-13-26)34(2,31)32;1-32(30,31)29(16-4-14-26)18-20-6-2-7-21(17-20)23-13-15-27-24(28-23)8-3-5-19-9-11-22(25)12-10-19;1-32-23-16-18(7-9-22(23)29)8-10-24-26-13-11-21(27-24)20-6-3-5-19(15-20)17-28(14-4-12-25)33(2,30)31;1-33(31,32)28(14-4-12-25)17-18-5-2-6-19(15-18)22-11-13-26-24(27-22)10-9-23(30)20-7-3-8-21(29)16-20;1-31(29,30)28(17-7-15-25)19-21-11-5-12-22(18-21)23-14-16-26-24(27-23)13-6-10-20-8-3-2-4-9-20;1-31(29,30)28(16-4-12-24)18-20-6-2-7-21(17-20)22-11-15-26-23(27-22)8-3-5-19-9-13-25-14-10-19/h8,11-12,15-18,20-21,35H,6-7,9-10,13-14,19,22H2,1-5H3;2,5-6,9-11,13,15-17,30H,3-4,7-8,12,14,18,28H2,1H3;2-4,7-8,10-11,13,15,17-18,29H,5-6,9,12,14,16,19,27H2,1H3;4,8-9,11,13,15-17,31H,5-7,10,12,14,18,27H2,1-3H3;3,7-8,10-12,14,16-17,30H,4-6,9,13,15,18,26H2,1-2H3;2,6-7,9-13,15,17H,3-5,8,14,16,18,26H2,1H3;3,5-7,9,11,13,15-16,29H,4,8,10,12,14,17,25H2,1-2H3;2-3,5-8,11,13,15-16,23,29-30H,4,9-10,12,14,17,25H2,1H3;2-5,8-9,11-12,14,16,18H,6-7,10,13,15,17,19,25H2,1H3;2,6-7,9-11,13-15,17H,3-5,8,12,16,18,24H2,1H3/t;;;;;;;23-;;/m.......0../s1.
What are the key properties of N-(3-aminopropyl)-N-[[3-[2-[3-(6-fluoro-1H-indol-3-yl)propyl]pyrimidin-4-yl]phenyl]methyl]methanesulfonamide;N-(3-aminopropyl)-N-[[3-[2-[3-(4-fluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]methanesulfonamide;N-(3-aminopropyl)-N-[[3-[2-[3-(4-hydroxy-3,5-dimethoxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]methanesulfonamide;N-(3-aminopropyl)-N-[[3-[2-[(3S)-3-hydroxy-3-(3-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]methanesulfonamide;N-(3-aminopropyl)-N-[[3-[2-[2-(4-hydroxy-3-methoxyphenyl)ethyl]pyrimidin-4-yl]phenyl]methyl]methanesulfonamide;N-(3-aminopropyl)-N-[[3-[2-[3-(4-hydroxy-3-methoxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]methanesulfonamide;N-(3-aminopropyl)-N-[[3-[2-[3-(1H-indol-3-yl)propyl]pyrimidin-4-yl]phenyl]methyl]methanesulfonamide;N-(3-aminopropyl)-N-[[3-[2-(3-phenylpropyl)pyrimidin-4-yl]phenyl]methyl]methanesulfonamide;N-(3-aminopropyl)-N-[[3-[2-(3-pyridin-4-ylpropyl)pyrimidin-4-yl]phenyl]methyl]methanesulfonamide;tert-butyl 5-[[3-[2-[3-(4-hydroxy-3-methoxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl-methylsulfonylamino]pentanoate?
N-(3-aminopropyl)-N-[[3-[2-[3-(6-fluoro-1H-indol-3-yl)propyl]pyrimidin-4-yl]phenyl]methyl]methanesulfonamide;N-(3-aminopropyl)-N-[[3-[2-[3-(4-fluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]methanesulfonamide;N-(3-aminopropyl)-N-[[3-[2-[3-(4-hydroxy-3,5-dimethoxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]methanesulfonamide;N-(3-aminopropyl)-N-[[3-[2-[(3S)-3-hydroxy-3-(3-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]methanesulfonamide;N-(3-aminopropyl)-N-[[3-[2-[2-(4-hydroxy-3-methoxyphenyl)ethyl]pyrimidin-4-yl]phenyl]methyl]methanesulfonamide;N-(3-aminopropyl)-N-[[3-[2-[3-(4-hydroxy-3-methoxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]methanesulfonamide;N-(3-aminopropyl)-N-[[3-[2-[3-(1H-indol-3-yl)propyl]pyrimidin-4-yl]phenyl]methyl]methanesulfonamide;N-(3-aminopropyl)-N-[[3-[2-(3-phenylpropyl)pyrimidin-4-yl]phenyl]methyl]methanesulfonamide;N-(3-aminopropyl)-N-[[3-[2-(3-pyridin-4-ylpropyl)pyrimidin-4-yl]phenyl]methyl]methanesulfonamide;tert-butyl 5-[[3-[2-[3-(4-hydroxy-3-methoxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl-methylsulfonylamino]pentanoate has a molecular weight of 4832.24 g/mol, XLogP of 34.76, 116 rotatable bonds, 17 hydrogen bond donors, and 63 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-N-[[3-[2-[3-(6-fluoro-1H-indol-3-yl)propyl]pyrimidin-4-yl]phenyl]methyl]methanesulfonamide;N-(3-aminopropyl)-N-[[3-[2-[3-(4-fluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]methanesulfonamide;N-(3-aminopropyl)-N-[[3-[2-[3-(4-hydroxy-3,5-dimethoxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]methanesulfonamide;N-(3-aminopropyl)-N-[[3-[2-[(3S)-3-hydroxy-3-(3-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]methanesulfonamide;N-(3-aminopropyl)-N-[[3-[2-[2-(4-hydroxy-3-methoxyphenyl)ethyl]pyrimidin-4-yl]phenyl]methyl]methanesulfonamide;N-(3-aminopropyl)-N-[[3-[2-[3-(4-hydroxy-3-methoxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]methanesulfonamide;N-(3-aminopropyl)-N-[[3-[2-[3-(1H-indol-3-yl)propyl]pyrimidin-4-yl]phenyl]methyl]methanesulfonamide;N-(3-aminopropyl)-N-[[3-[2-(3-phenylpropyl)pyrimidin-4-yl]phenyl]methyl]methanesulfonamide;N-(3-aminopropyl)-N-[[3-[2-(3-pyridin-4-ylpropyl)pyrimidin-4-yl]phenyl]methyl]methanesulfonamide;tert-butyl 5-[[3-[2-[3-(4-hydroxy-3-methoxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl-methylsulfonylamino]pentanoate is sourced from PubChem (CID 158669498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).