hexasodium;2-[[2-[bis[(4-carboxylato-2-pyridinyl)methyl]amino]ethyl-[[6-[5-[4-(hydroxymethyl)phenyl]-1,3-thiazol-2-yl]-2-pyridinyl]methyl]amino]methyl]pyridine-4-carboxylate;4-[2-[6-[[bis(pyrimidin-2-ylmethyl)amino]methyl]-2-pyridinyl]-1,3-thiazol-5-yl]-N-propylaniline;2-[[(4-carboxylato-2-pyridinyl)methyl-[2-[[6-[5-[4-(hydroxymethyl)phenyl]-1,3-thiazol-2-yl]-2-pyridinyl]methyl-methylamino]ethyl]amino]methyl]pyridine-4-carboxylate;N,N-dimethyl-4-(2-pyridin-2-yl-1,3-thiazol-5-yl)aniline;2-[[2-hydroxyethyl-[[6-[5-[4-(hydroxymethyl)phenyl]-1,3-thiazol-2-yl]-2-pyridinyl]methyl]amino]methyl]pyridine-4-carboxylate;5-[5-(4-methoxyphenyl)thiophen-2-yl]-2-pyridin-2-yl-1,3-thiazole;methyl 2-[[2-[bis[(4-methoxycarbonyl-2-pyridinyl)methyl]amino]ethyl-[[6-[5-[4-(hydroxymethyl)phenyl]-1,3-thiazol-2-yl]-2-pyridinyl]methyl]amino]methyl]pyridine-4-carboxylate;methyl 2-[[2-hydroxyethyl-[[6-[5-[4-(hydroxymethyl)phenyl]-1,3-thiazol-2-yl]-2-pyridinyl]methyl]amino]methyl]pyridine-4-carboxylate;methyl 2-[[2-[[6-[5-[4-(hydroxymethyl)phenyl]-1,3-thiazol-2-yl]-2-pyridinyl]methyl-methylamino]ethyl-[(4-methoxycarbonyl-2-pyridinyl)methyl]amino]methyl]pyridine-4-carboxylate;1-[6-[5-(1-propyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]-2-pyridinyl]-N,N-bis(pyrimidin-2-ylmethyl)methanamine

C293H275N55Na6O33S11 — CID 158397089

IUPAChexasodium;2-[[2-[bis[(4-carboxylato-2-pyridinyl)methyl]amino]ethyl-[[6-[5-[4-(hydroxymethyl)phenyl]-1,3-thiazol-2-yl]-2-pyridinyl]methyl]amino]methyl]pyridine-4-carboxylate;4-[2-[6-[[bis(pyrimidin-2-ylmethyl)amino]methyl]-2-pyridinyl]-1,3-thiazol-5-yl]-N-propylaniline;2-[[(4-carboxylato-2-pyridinyl)methyl-[2-[[6-[5-[4-(hydroxymethyl)phenyl]-1,3-thiazol-2-yl]-2-pyridinyl]methyl-methylamino]ethyl]amino]methyl]pyridine-4-carboxylate;N,N-dimethyl-4-(2-pyridin-2-yl-1,3-thiazol-5-yl)aniline;2-[[2-hydroxyethyl-[[6-[5-[4-(hydroxymethyl)phenyl]-1,3-thiazol-2-yl]-2-pyridinyl]methyl]amino]methyl]pyridine-4-carboxylate;5-[5-(4-methoxyphenyl)thiophen-2-yl]-2-pyridin-2-yl-1,3-thiazole;methyl 2-[[2-[bis[(4-methoxycarbonyl-2-pyridinyl)methyl]amino]ethyl-[[6-[5-[4-(hydroxymethyl)phenyl]-1,3-thiazol-2-yl]-2-pyridinyl]methyl]amino]methyl]pyridine-4-carboxylate;methyl 2-[[2-hydroxyethyl-[[6-[5-[4-(hydroxymethyl)phenyl]-1,3-thiazol-2-yl]-2-pyridinyl]methyl]amino]methyl]pyridine-4-carboxylate;methyl 2-[[2-[[6-[5-[4-(hydroxymethyl)phenyl]-1,3-thiazol-2-yl]-2-pyridinyl]methyl-methylamino]ethyl-[(4-methoxycarbonyl-2-pyridinyl)methyl]amino]methyl]pyridine-4-carboxylate;1-[6-[5-(1-propyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]-2-pyridinyl]-N,N-bis(pyrimidin-2-ylmethyl)methanamine
SMILESCCCN1CCc2cc(-c3cnc(-c4cccc(CN(Cc5ncccn5)Cc5ncccn5)n4)s3)ccc21.CCCNc1ccc(-c2cnc(-c3cccc(CN(Cc4ncccn4)Cc4ncccn4)n3)s2)cc1.CN(C)c1ccc(-c2cnc(-c3ccccn3)s2)cc1.CN(CCN(Cc1cc(C(=O)[O-])ccn1)Cc1cc(C(=O)[O-])ccn1)Cc1cccc(-c2ncc(-c3ccc(CO)cc3)s2)n1.COC(=O)c1ccnc(CN(CCN(C)Cc2cccc(-c3ncc(-c4ccc(CO)cc4)s3)n2)Cc2cc(C(=O)OC)ccn2)c1.COC(=O)c1ccnc(CN(CCN(Cc2cc(C(=O)OC)ccn2)Cc2cccc(-c3ncc(-c4ccc(CO)cc4)s3)n2)Cc2cc(C(=O)OC)ccn2)c1.COC(=O)c1ccnc(CN(CCO)Cc2cccc(-c3ncc(-c4ccc(CO)cc4)s3)n2)c1.COc1ccc(-c2ccc(-c3cnc(-c4ccccn4)s3)s2)cc1.O=C([O-])c1ccnc(CN(CCN(Cc2cc(C(=O)[O-])ccn2)Cc2cccc(-c3ncc(-c4ccc(CO)cc4)s3)n2)Cc2cc(C(=O)[O-])ccn2)c1.O=C([O-])c1ccnc(CN(CCO)Cc2cccc(-c3ncc(-c4ccc(CO)cc4)s3)n2)c1.[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]
InChIInChI=1S/C42H41N7O7S.C39H35N7O7S.C35H36N6O5S.C33H32N6O5S.C30H30N8S.C28H28N8S.C26H26N4O4S.C25H24N4O4S.C19H14N2OS2.C16H15N3S.6Na/c1-54-40(51)30-11-14-43-34(19-30)24-48(23-33-5-4-6-37(47-33)39-46-22-38(57-39)29-9-7-28(27-50)8-10-29)17-18-49(25-35-20-31(12-15-44-35)41(52)55-2)26-36-21-32(13-16-45-36)42(53)56-3;47-24-25-4-6-26(7-5-25)35-19-43-36(54-35)34-3-1-2-30(44-34)20-45(21-31-16-27(37(48)49)8-11-40-31)14-15-46(22-32-17-28(38(50)51)9-12-41-32)23-33-18-29(39(52)53)10-13-42-33;1-40(20-28-5-4-6-31(39-28)33-38-19-32(47-33)25-9-7-24(23-42)8-10-25)15-16-41(21-29-17-26(11-13-36-29)34(43)45-2)22-30-18-27(12-14-37-30)35(44)46-3;1-38(18-26-3-2-4-29(37-26)31-36-17-30(45-31)23-7-5-22(21-40)6-8-23)13-14-39(19-27-15-24(32(41)42)9-11-34-27)20-28-16-25(33(43)44)10-12-35-28;1-2-15-38-16-10-22-17-23(8-9-26(22)38)27-18-35-30(39-27)25-7-3-6-24(36-25)19-37(20-28-31-11-4-12-32-28)21-29-33-13-5-14-34-29;1-2-12-29-22-10-8-21(9-11-22)25-17-34-28(37-25)24-7-3-6-23(35-24)18-36(19-26-30-13-4-14-31-26)20-27-32-15-5-16-33-27;1-34-26(33)20-9-10-27-22(13-20)16-30(11-12-31)15-21-3-2-4-23(29-21)25-28-14-24(35-25)19-7-5-18(17-32)6-8-19;30-11-10-29(15-21-12-19(25(32)33)8-9-26-21)14-20-2-1-3-22(28-20)24-27-13-23(34-24)18-6-4-17(16-31)5-7-18;1-22-14-7-5-13(6-8-14)16-9-10-17(23-16)18-12-21-19(24-18)15-4-2-3-11-20-15;1-19(2)13-8-6-12(7-9-13)15-11-18-16(20-15)14-5-3-4-10-17-14;;;;;;/h4-16,19-22,50H,17-18,23-27H2,1-3H3;1-13,16-19,47H,14-15,20-24H2,(H,48,49)(H,50,51)(H,52,53);4-14,17-19,42H,15-16,20-23H2,1-3H3;2-12,15-17,40H,13-14,18-21H2,1H3,(H,41,42)(H,43,44);3-9,11-14,17-18H,2,10,15-16,19-21H2,1H3;3-11,13-17,29H,2,12,18-20H2,1H3;2-10,13-14,31-32H,11-12,15-17H2,1H3;1-9,12-13,30-31H,10-11,14-16H2,(H,32,33);2-12H,1H3;3-11H,1-2H3;;;;;;/q;;;;;;;;;;6*+1/p-6
InChIKeyGXQGTIMLBAUIRM-UHFFFAOYSA-H
MW5585.45 g/mol
LogP21.97
Rot. Bonds110

About hexasodium;2-[[2-[bis[(4-carboxylato-2-pyridinyl)methyl]amino]ethyl-[[6-[5-[4-(hydroxymethyl)phenyl]-1,3-thiazol-2-yl]-2-pyridinyl]methyl]amino]methyl]pyridine-4-carboxylate;4-[2-[6-[[bis(pyrimidin-2-ylmethyl)amino]methyl]-2-pyridinyl]-1,3-thiazol-5-yl]-N-propylaniline;2-[[(4-carboxylato-2-pyridinyl)methyl-[2-[[6-[5-[4-(hydroxymethyl)phenyl]-1,3-thiazol-2-yl]-2-pyridinyl]methyl-methylamino]ethyl]amino]methyl]pyridine-4-carboxylate;N,N-dimethyl-4-(2-pyridin-2-yl-1,3-thiazol-5-yl)aniline;2-[[2-hydroxyethyl-[[6-[5-[4-(hydroxymethyl)phenyl]-1,3-thiazol-2-yl]-2-pyridinyl]methyl]amino]methyl]pyridine-4-carboxylate;5-[5-(4-methoxyphenyl)thiophen-2-yl]-2-pyridin-2-yl-1,3-thiazole;methyl 2-[[2-[bis[(4-methoxycarbonyl-2-pyridinyl)methyl]amino]ethyl-[[6-[5-[4-(hydroxymethyl)phenyl]-1,3-thiazol-2-yl]-2-pyridinyl]methyl]amino]methyl]pyridine-4-carboxylate;methyl 2-[[2-hydroxyethyl-[[6-[5-[4-(hydroxymethyl)phenyl]-1,3-thiazol-2-yl]-2-pyridinyl]methyl]amino]methyl]pyridine-4-carboxylate;methyl 2-[[2-[[6-[5-[4-(hydroxymethyl)phenyl]-1,3-thiazol-2-yl]-2-pyridinyl]methyl-methylamino]ethyl-[(4-methoxycarbonyl-2-pyridinyl)methyl]amino]methyl]pyridine-4-carboxylate;1-[6-[5-(1-propyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]-2-pyridinyl]-N,N-bis(pyrimidin-2-ylmethyl)methanamine

hexasodium;2-[[2-[bis[(4-carboxylato-2-pyridinyl)methyl]amino]ethyl-[[6-[5-[4-(hydroxymethyl)phenyl]-1,3-thiazol-2-yl]-2-pyridinyl]methyl]amino]methyl]pyridine-4-carboxylate;4-[2-[6-[[bis(pyrimidin-2-ylmethyl)amino]methyl]-2-pyridinyl]-1,3-thiazol-5-yl]-N-propylaniline;2-[[(4-carboxylato-2-pyridinyl)methyl-[2-[[6-[5-[4-(hydroxymethyl)phenyl]-1,3-thiazol-2-yl]-2-pyridinyl]methyl-methylamino]ethyl]amino]methyl]pyridine-4-carboxylate;N,N-dimethyl-4-(2-pyridin-2-yl-1,3-thiazol-5-yl)aniline;2-[[2-hydroxyethyl-[[6-[5-[4-(hydroxymethyl)phenyl]-1,3-thiazol-2-yl]-2-pyridinyl]methyl]amino]methyl]pyridine-4-carboxylate;5-[5-(4-methoxyphenyl)thiophen-2-yl]-2-pyridin-2-yl-1,3-thiazole;methyl 2-[[2-[bis[(4-methoxycarbonyl-2-pyridinyl)methyl]amino]ethyl-[[6-[5-[4-(hydroxymethyl)phenyl]-1,3-thiazol-2-yl]-2-pyridinyl]methyl]amino]methyl]pyridine-4-carboxylate;methyl 2-[[2-hydroxyethyl-[[6-[5-[4-(hydroxymethyl)phenyl]-1,3-thiazol-2-yl]-2-pyridinyl]methyl]amino]methyl]pyridine-4-carboxylate;methyl 2-[[2-[[6-[5-[4-(hydroxymethyl)phenyl]-1,3-thiazol-2-yl]-2-pyridinyl]methyl-methylamino]ethyl-[(4-methoxycarbonyl-2-pyridinyl)methyl]amino]methyl]pyridine-4-carboxylate;1-[6-[5-(1-propyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]-2-pyridinyl]-N,N-bis(pyrimidin-2-ylmethyl)methanamine (PubChem CID 158397089) has the molecular formula C293H275N55Na6O33S11 and a molecular weight of 5585.45 g/mol. Its IUPAC name is hexasodium;2-[[2-[bis[(4-carboxylato-2-pyridinyl)methyl]amino]ethyl-[[6-[5-[4-(hydroxymethyl)phenyl]-1,3-thiazol-2-yl]-2-pyridinyl]methyl]amino]methyl]pyridine-4-carboxylate;4-[2-[6-[[bis(pyrimidin-2-ylmethyl)amino]methyl]-2-pyridinyl]-1,3-thiazol-5-yl]-N-propylaniline;2-[[(4-carboxylato-2-pyridinyl)methyl-[2-[[6-[5-[4-(hydroxymethyl)phenyl]-1,3-thiazol-2-yl]-2-pyridinyl]methyl-methylamino]ethyl]amino]methyl]pyridine-4-carboxylate;N,N-dimethyl-4-(2-pyridin-2-yl-1,3-thiazol-5-yl)aniline;2-[[2-hydroxyethyl-[[6-[5-[4-(hydroxymethyl)phenyl]-1,3-thiazol-2-yl]-2-pyridinyl]methyl]amino]methyl]pyridine-4-carboxylate;5-[5-(4-methoxyphenyl)thiophen-2-yl]-2-pyridin-2-yl-1,3-thiazole;methyl 2-[[2-[bis[(4-methoxycarbonyl-2-pyridinyl)methyl]amino]ethyl-[[6-[5-[4-(hydroxymethyl)phenyl]-1,3-thiazol-2-yl]-2-pyridinyl]methyl]amino]methyl]pyridine-4-carboxylate;methyl 2-[[2-hydroxyethyl-[[6-[5-[4-(hydroxymethyl)phenyl]-1,3-thiazol-2-yl]-2-pyridinyl]methyl]amino]methyl]pyridine-4-carboxylate;methyl 2-[[2-[[6-[5-[4-(hydroxymethyl)phenyl]-1,3-thiazol-2-yl]-2-pyridinyl]methyl-methylamino]ethyl-[(4-methoxycarbonyl-2-pyridinyl)methyl]amino]methyl]pyridine-4-carboxylate;1-[6-[5-(1-propyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]-2-pyridinyl]-N,N-bis(pyrimidin-2-ylmethyl)methanamine.

Molecular Properties

Compound Namehexasodium;2-[[2-[bis[(4-carboxylato-2-pyridinyl)methyl]amino]ethyl-[[6-[5-[4-(hydroxymethyl)phenyl]-1,3-thiazol-2-yl]-2-pyridinyl]methyl]amino]methyl]pyridine-4-carboxylate;4-[2-[6-[[bis(pyrimidin-2-ylmethyl)amino]methyl]-2-pyridinyl]-1,3-thiazol-5-yl]-N-propylaniline;2-[[(4-carboxylato-2-pyridinyl)methyl-[2-[[6-[5-[4-(hydroxymethyl)phenyl]-1,3-thiazol-2-yl]-2-pyridinyl]methyl-methylamino]ethyl]amino]methyl]pyridine-4-carboxylate;N,N-dimethyl-4-(2-pyridin-2-yl-1,3-thiazol-5-yl)aniline;2-[[2-hydroxyethyl-[[6-[5-[4-(hydroxymethyl)phenyl]-1,3-thiazol-2-yl]-2-pyridinyl]methyl]amino]methyl]pyridine-4-carboxylate;5-[5-(4-methoxyphenyl)thiophen-2-yl]-2-pyridin-2-yl-1,3-thiazole;methyl 2-[[2-[bis[(4-methoxycarbonyl-2-pyridinyl)methyl]amino]ethyl-[[6-[5-[4-(hydroxymethyl)phenyl]-1,3-thiazol-2-yl]-2-pyridinyl]methyl]amino]methyl]pyridine-4-carboxylate;methyl 2-[[2-hydroxyethyl-[[6-[5-[4-(hydroxymethyl)phenyl]-1,3-thiazol-2-yl]-2-pyridinyl]methyl]amino]methyl]pyridine-4-carboxylate;methyl 2-[[2-[[6-[5-[4-(hydroxymethyl)phenyl]-1,3-thiazol-2-yl]-2-pyridinyl]methyl-methylamino]ethyl-[(4-methoxycarbonyl-2-pyridinyl)methyl]amino]methyl]pyridine-4-carboxylate;1-[6-[5-(1-propyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]-2-pyridinyl]-N,N-bis(pyrimidin-2-ylmethyl)methanamine
PubChem CID158397089
Molecular FormulaC293H275N55Na6O33S11
Molecular Weight5585.45 g/mol
Exact Mass5580.78
IUPAC Namehexasodium;2-[[2-[bis[(4-carboxylato-2-pyridinyl)methyl]amino]ethyl-[[6-[5-[4-(hydroxymethyl)phenyl]-1,3-thiazol-2-yl]-2-pyridinyl]methyl]amino]methyl]pyridine-4-carboxylate;4-[2-[6-[[bis(pyrimidin-2-ylmethyl)amino]methyl]-2-pyridinyl]-1,3-thiazol-5-yl]-N-propylaniline;2-[[(4-carboxylato-2-pyridinyl)methyl-[2-[[6-[5-[4-(hydroxymethyl)phenyl]-1,3-thiazol-2-yl]-2-pyridinyl]methyl-methylamino]ethyl]amino]methyl]pyridine-4-carboxylate;N,N-dimethyl-4-(2-pyridin-2-yl-1,3-thiazol-5-yl)aniline;2-[[2-hydroxyethyl-[[6-[5-[4-(hydroxymethyl)phenyl]-1,3-thiazol-2-yl]-2-pyridinyl]methyl]amino]methyl]pyridine-4-carboxylate;5-[5-(4-methoxyphenyl)thiophen-2-yl]-2-pyridin-2-yl-1,3-thiazole;methyl 2-[[2-[bis[(4-methoxycarbonyl-2-pyridinyl)methyl]amino]ethyl-[[6-[5-[4-(hydroxymethyl)phenyl]-1,3-thiazol-2-yl]-2-pyridinyl]methyl]amino]methyl]pyridine-4-carboxylate;methyl 2-[[2-hydroxyethyl-[[6-[5-[4-(hydroxymethyl)phenyl]-1,3-thiazol-2-yl]-2-pyridinyl]methyl]amino]methyl]pyridine-4-carboxylate;methyl 2-[[2-[[6-[5-[4-(hydroxymethyl)phenyl]-1,3-thiazol-2-yl]-2-pyridinyl]methyl-methylamino]ethyl-[(4-methoxycarbonyl-2-pyridinyl)methyl]amino]methyl]pyridine-4-carboxylate;1-[6-[5-(1-propyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]-2-pyridinyl]-N,N-bis(pyrimidin-2-ylmethyl)methanamine
SMILESCCCN1CCc2cc(-c3cnc(-c4cccc(CN(Cc5ncccn5)Cc5ncccn5)n4)s3)ccc21.CCCNc1ccc(-c2cnc(-c3cccc(CN(Cc4ncccn4)Cc4ncccn4)n3)s2)cc1.CN(C)c1ccc(-c2cnc(-c3ccccn3)s2)cc1.CN(CCN(Cc1cc(C(=O)[O-])ccn1)Cc1cc(C(=O)[O-])ccn1)Cc1cccc(-c2ncc(-c3ccc(CO)cc3)s2)n1.COC(=O)c1ccnc(CN(CCN(C)Cc2cccc(-c3ncc(-c4ccc(CO)cc4)s3)n2)Cc2cc(C(=O)OC)ccn2)c1.COC(=O)c1ccnc(CN(CCN(Cc2cc(C(=O)OC)ccn2)Cc2cccc(-c3ncc(-c4ccc(CO)cc4)s3)n2)Cc2cc(C(=O)OC)ccn2)c1.COC(=O)c1ccnc(CN(CCO)Cc2cccc(-c3ncc(-c4ccc(CO)cc4)s3)n2)c1.COc1ccc(-c2ccc(-c3cnc(-c4ccccn4)s3)s2)cc1.O=C([O-])c1ccnc(CN(CCN(Cc2cc(C(=O)[O-])ccn2)Cc2cccc(-c3ncc(-c4ccc(CO)cc4)s3)n2)Cc2cc(C(=O)[O-])ccn2)c1.O=C([O-])c1ccnc(CN(CCO)Cc2cccc(-c3ncc(-c4ccc(CO)cc4)s3)n2)c1.[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]
InChIInChI=1S/C42H41N7O7S.C39H35N7O7S.C35H36N6O5S.C33H32N6O5S.C30H30N8S.C28H28N8S.C26H26N4O4S.C25H24N4O4S.C19H14N2OS2.C16H15N3S.6Na/c1-54-40(51)30-11-14-43-34(19-30)24-48(23-33-5-4-6-37(47-33)39-46-22-38(57-39)29-9-7-28(27-50)8-10-29)17-18-49(25-35-20-31(12-15-44-35)41(52)55-2)26-36-21-32(13-16-45-36)42(53)56-3;47-24-25-4-6-26(7-5-25)35-19-43-36(54-35)34-3-1-2-30(44-34)20-45(21-31-16-27(37(48)49)8-11-40-31)14-15-46(22-32-17-28(38(50)51)9-12-41-32)23-33-18-29(39(52)53)10-13-42-33;1-40(20-28-5-4-6-31(39-28)33-38-19-32(47-33)25-9-7-24(23-42)8-10-25)15-16-41(21-29-17-26(11-13-36-29)34(43)45-2)22-30-18-27(12-14-37-30)35(44)46-3;1-38(18-26-3-2-4-29(37-26)31-36-17-30(45-31)23-7-5-22(21-40)6-8-23)13-14-39(19-27-15-24(32(41)42)9-11-34-27)20-28-16-25(33(43)44)10-12-35-28;1-2-15-38-16-10-22-17-23(8-9-26(22)38)27-18-35-30(39-27)25-7-3-6-24(36-25)19-37(20-28-31-11-4-12-32-28)21-29-33-13-5-14-34-29;1-2-12-29-22-10-8-21(9-11-22)25-17-34-28(37-25)24-7-3-6-23(35-24)18-36(19-26-30-13-4-14-31-26)20-27-32-15-5-16-33-27;1-34-26(33)20-9-10-27-22(13-20)16-30(11-12-31)15-21-3-2-4-23(29-21)25-28-14-24(35-25)19-7-5-18(17-32)6-8-19;30-11-10-29(15-21-12-19(25(32)33)8-9-26-21)14-20-2-1-3-22(28-20)24-27-13-23(34-24)18-6-4-17(16-31)5-7-18;1-22-14-7-5-13(6-8-14)16-9-10-17(23-16)18-12-21-19(24-18)15-4-2-3-11-20-15;1-19(2)13-8-6-12(7-9-13)15-11-18-16(20-15)14-5-3-4-10-17-14;;;;;;/h4-16,19-22,50H,17-18,23-27H2,1-3H3;1-13,16-19,47H,14-15,20-24H2,(H,48,49)(H,50,51)(H,52,53);4-14,17-19,42H,15-16,20-23H2,1-3H3;2-12,15-17,40H,13-14,18-21H2,1H3,(H,41,42)(H,43,44);3-9,11-14,17-18H,2,10,15-16,19-21H2,1H3;3-11,13-17,29H,2,12,18-20H2,1H3;2-10,13-14,31-32H,11-12,15-17H2,1H3;1-9,12-13,30-31H,10-11,14-16H2,(H,32,33);2-12H,1H3;3-11H,1-2H3;;;;;;/q;;;;;;;;;;6*+1/p-6
InChIKeyGXQGTIMLBAUIRM-UHFFFAOYSA-H
XLogP21.97
TPSA1142.64 Ų
H-Bond Donors9
H-Bond Acceptors99
Rotatable Bonds110
Heavy Atoms398
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5005585.45
LogP ≤ 521.97
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1099

Analyze hexasodium;2-[[2-[bis[(4-carboxylato-2-pyridinyl)methyl]amino]ethyl-[[6-[5-[4-(hydroxymethyl)phenyl]-1,3-thiazol-2-yl]-2-pyridinyl]methyl]amino]methyl]pyridine-4-carboxylate;4-[2-[6-[[bis(pyrimidin-2-ylmethyl)amino]methyl]-2-pyridinyl]-1,3-thiazol-5-yl]-N-propylaniline;2-[[(4-carboxylato-2-pyridinyl)methyl-[2-[[6-[5-[4-(hydroxymethyl)phenyl]-1,3-thiazol-2-yl]-2-pyridinyl]methyl-methylamino]ethyl]amino]methyl]pyridine-4-carboxylate;N,N-dimethyl-4-(2-pyridin-2-yl-1,3-thiazol-5-yl)aniline;2-[[2-hydroxyethyl-[[6-[5-[4-(hydroxymethyl)phenyl]-1,3-thiazol-2-yl]-2-pyridinyl]methyl]amino]methyl]pyridine-4-carboxylate;5-[5-(4-methoxyphenyl)thiophen-2-yl]-2-pyridin-2-yl-1,3-thiazole;methyl 2-[[2-[bis[(4-methoxycarbonyl-2-pyridinyl)methyl]amino]ethyl-[[6-[5-[4-(hydroxymethyl)phenyl]-1,3-thiazol-2-yl]-2-pyridinyl]methyl]amino]methyl]pyridine-4-carboxylate;methyl 2-[[2-hydroxyethyl-[[6-[5-[4-(hydroxymethyl)phenyl]-1,3-thiazol-2-yl]-2-pyridinyl]methyl]amino]methyl]pyridine-4-carboxylate;methyl 2-[[2-[[6-[5-[4-(hydroxymethyl)phenyl]-1,3-thiazol-2-yl]-2-pyridinyl]methyl-methylamino]ethyl-[(4-methoxycarbonyl-2-pyridinyl)methyl]amino]methyl]pyridine-4-carboxylate;1-[6-[5-(1-propyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]-2-pyridinyl]-N,N-bis(pyrimidin-2-ylmethyl)methanamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of hexasodium;2-[[2-[bis[(4-carboxylato-2-pyridinyl)methyl]amino]ethyl-[[6-[5-[4-(hydroxymethyl)phenyl]-1,3-thiazol-2-yl]-2-pyridinyl]methyl]amino]methyl]pyridine-4-carboxylate;4-[2-[6-[[bis(pyrimidin-2-ylmethyl)amino]methyl]-2-pyridinyl]-1,3-thiazol-5-yl]-N-propylaniline;2-[[(4-carboxylato-2-pyridinyl)methyl-[2-[[6-[5-[4-(hydroxymethyl)phenyl]-1,3-thiazol-2-yl]-2-pyridinyl]methyl-methylamino]ethyl]amino]methyl]pyridine-4-carboxylate;N,N-dimethyl-4-(2-pyridin-2-yl-1,3-thiazol-5-yl)aniline;2-[[2-hydroxyethyl-[[6-[5-[4-(hydroxymethyl)phenyl]-1,3-thiazol-2-yl]-2-pyridinyl]methyl]amino]methyl]pyridine-4-carboxylate;5-[5-(4-methoxyphenyl)thiophen-2-yl]-2-pyridin-2-yl-1,3-thiazole;methyl 2-[[2-[bis[(4-methoxycarbonyl-2-pyridinyl)methyl]amino]ethyl-[[6-[5-[4-(hydroxymethyl)phenyl]-1,3-thiazol-2-yl]-2-pyridinyl]methyl]amino]methyl]pyridine-4-carboxylate;methyl 2-[[2-hydroxyethyl-[[6-[5-[4-(hydroxymethyl)phenyl]-1,3-thiazol-2-yl]-2-pyridinyl]methyl]amino]methyl]pyridine-4-carboxylate;methyl 2-[[2-[[6-[5-[4-(hydroxymethyl)phenyl]-1,3-thiazol-2-yl]-2-pyridinyl]methyl-methylamino]ethyl-[(4-methoxycarbonyl-2-pyridinyl)methyl]amino]methyl]pyridine-4-carboxylate;1-[6-[5-(1-propyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]-2-pyridinyl]-N,N-bis(pyrimidin-2-ylmethyl)methanamine?
The IUPAC name of hexasodium;2-[[2-[bis[(4-carboxylato-2-pyridinyl)methyl]amino]ethyl-[[6-[5-[4-(hydroxymethyl)phenyl]-1,3-thiazol-2-yl]-2-pyridinyl]methyl]amino]methyl]pyridine-4-carboxylate;4-[2-[6-[[bis(pyrimidin-2-ylmethyl)amino]methyl]-2-pyridinyl]-1,3-thiazol-5-yl]-N-propylaniline;2-[[(4-carboxylato-2-pyridinyl)methyl-[2-[[6-[5-[4-(hydroxymethyl)phenyl]-1,3-thiazol-2-yl]-2-pyridinyl]methyl-methylamino]ethyl]amino]methyl]pyridine-4-carboxylate;N,N-dimethyl-4-(2-pyridin-2-yl-1,3-thiazol-5-yl)aniline;2-[[2-hydroxyethyl-[[6-[5-[4-(hydroxymethyl)phenyl]-1,3-thiazol-2-yl]-2-pyridinyl]methyl]amino]methyl]pyridine-4-carboxylate;5-[5-(4-methoxyphenyl)thiophen-2-yl]-2-pyridin-2-yl-1,3-thiazole;methyl 2-[[2-[bis[(4-methoxycarbonyl-2-pyridinyl)methyl]amino]ethyl-[[6-[5-[4-(hydroxymethyl)phenyl]-1,3-thiazol-2-yl]-2-pyridinyl]methyl]amino]methyl]pyridine-4-carboxylate;methyl 2-[[2-hydroxyethyl-[[6-[5-[4-(hydroxymethyl)phenyl]-1,3-thiazol-2-yl]-2-pyridinyl]methyl]amino]methyl]pyridine-4-carboxylate;methyl 2-[[2-[[6-[5-[4-(hydroxymethyl)phenyl]-1,3-thiazol-2-yl]-2-pyridinyl]methyl-methylamino]ethyl-[(4-methoxycarbonyl-2-pyridinyl)methyl]amino]methyl]pyridine-4-carboxylate;1-[6-[5-(1-propyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]-2-pyridinyl]-N,N-bis(pyrimidin-2-ylmethyl)methanamine (CID 158397089) is hexasodium;2-[[2-[bis[(4-carboxylato-2-pyridinyl)methyl]amino]ethyl-[[6-[5-[4-(hydroxymethyl)phenyl]-1,3-thiazol-2-yl]-2-pyridinyl]methyl]amino]methyl]pyridine-4-carboxylate;4-[2-[6-[[bis(pyrimidin-2-ylmethyl)amino]methyl]-2-pyridinyl]-1,3-thiazol-5-yl]-N-propylaniline;2-[[(4-carboxylato-2-pyridinyl)methyl-[2-[[6-[5-[4-(hydroxymethyl)phenyl]-1,3-thiazol-2-yl]-2-pyridinyl]methyl-methylamino]ethyl]amino]methyl]pyridine-4-carboxylate;N,N-dimethyl-4-(2-pyridin-2-yl-1,3-thiazol-5-yl)aniline;2-[[2-hydroxyethyl-[[6-[5-[4-(hydroxymethyl)phenyl]-1,3-thiazol-2-yl]-2-pyridinyl]methyl]amino]methyl]pyridine-4-carboxylate;5-[5-(4-methoxyphenyl)thiophen-2-yl]-2-pyridin-2-yl-1,3-thiazole;methyl 2-[[2-[bis[(4-methoxycarbonyl-2-pyridinyl)methyl]amino]ethyl-[[6-[5-[4-(hydroxymethyl)phenyl]-1,3-thiazol-2-yl]-2-pyridinyl]methyl]amino]methyl]pyridine-4-carboxylate;methyl 2-[[2-hydroxyethyl-[[6-[5-[4-(hydroxymethyl)phenyl]-1,3-thiazol-2-yl]-2-pyridinyl]methyl]amino]methyl]pyridine-4-carboxylate;methyl 2-[[2-[[6-[5-[4-(hydroxymethyl)phenyl]-1,3-thiazol-2-yl]-2-pyridinyl]methyl-methylamino]ethyl-[(4-methoxycarbonyl-2-pyridinyl)methyl]amino]methyl]pyridine-4-carboxylate;1-[6-[5-(1-propyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]-2-pyridinyl]-N,N-bis(pyrimidin-2-ylmethyl)methanamine.
What is the SMILES notation for hexasodium;2-[[2-[bis[(4-carboxylato-2-pyridinyl)methyl]amino]ethyl-[[6-[5-[4-(hydroxymethyl)phenyl]-1,3-thiazol-2-yl]-2-pyridinyl]methyl]amino]methyl]pyridine-4-carboxylate;4-[2-[6-[[bis(pyrimidin-2-ylmethyl)amino]methyl]-2-pyridinyl]-1,3-thiazol-5-yl]-N-propylaniline;2-[[(4-carboxylato-2-pyridinyl)methyl-[2-[[6-[5-[4-(hydroxymethyl)phenyl]-1,3-thiazol-2-yl]-2-pyridinyl]methyl-methylamino]ethyl]amino]methyl]pyridine-4-carboxylate;N,N-dimethyl-4-(2-pyridin-2-yl-1,3-thiazol-5-yl)aniline;2-[[2-hydroxyethyl-[[6-[5-[4-(hydroxymethyl)phenyl]-1,3-thiazol-2-yl]-2-pyridinyl]methyl]amino]methyl]pyridine-4-carboxylate;5-[5-(4-methoxyphenyl)thiophen-2-yl]-2-pyridin-2-yl-1,3-thiazole;methyl 2-[[2-[bis[(4-methoxycarbonyl-2-pyridinyl)methyl]amino]ethyl-[[6-[5-[4-(hydroxymethyl)phenyl]-1,3-thiazol-2-yl]-2-pyridinyl]methyl]amino]methyl]pyridine-4-carboxylate;methyl 2-[[2-hydroxyethyl-[[6-[5-[4-(hydroxymethyl)phenyl]-1,3-thiazol-2-yl]-2-pyridinyl]methyl]amino]methyl]pyridine-4-carboxylate;methyl 2-[[2-[[6-[5-[4-(hydroxymethyl)phenyl]-1,3-thiazol-2-yl]-2-pyridinyl]methyl-methylamino]ethyl-[(4-methoxycarbonyl-2-pyridinyl)methyl]amino]methyl]pyridine-4-carboxylate;1-[6-[5-(1-propyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]-2-pyridinyl]-N,N-bis(pyrimidin-2-ylmethyl)methanamine?
The canonical SMILES for hexasodium;2-[[2-[bis[(4-carboxylato-2-pyridinyl)methyl]amino]ethyl-[[6-[5-[4-(hydroxymethyl)phenyl]-1,3-thiazol-2-yl]-2-pyridinyl]methyl]amino]methyl]pyridine-4-carboxylate;4-[2-[6-[[bis(pyrimidin-2-ylmethyl)amino]methyl]-2-pyridinyl]-1,3-thiazol-5-yl]-N-propylaniline;2-[[(4-carboxylato-2-pyridinyl)methyl-[2-[[6-[5-[4-(hydroxymethyl)phenyl]-1,3-thiazol-2-yl]-2-pyridinyl]methyl-methylamino]ethyl]amino]methyl]pyridine-4-carboxylate;N,N-dimethyl-4-(2-pyridin-2-yl-1,3-thiazol-5-yl)aniline;2-[[2-hydroxyethyl-[[6-[5-[4-(hydroxymethyl)phenyl]-1,3-thiazol-2-yl]-2-pyridinyl]methyl]amino]methyl]pyridine-4-carboxylate;5-[5-(4-methoxyphenyl)thiophen-2-yl]-2-pyridin-2-yl-1,3-thiazole;methyl 2-[[2-[bis[(4-methoxycarbonyl-2-pyridinyl)methyl]amino]ethyl-[[6-[5-[4-(hydroxymethyl)phenyl]-1,3-thiazol-2-yl]-2-pyridinyl]methyl]amino]methyl]pyridine-4-carboxylate;methyl 2-[[2-hydroxyethyl-[[6-[5-[4-(hydroxymethyl)phenyl]-1,3-thiazol-2-yl]-2-pyridinyl]methyl]amino]methyl]pyridine-4-carboxylate;methyl 2-[[2-[[6-[5-[4-(hydroxymethyl)phenyl]-1,3-thiazol-2-yl]-2-pyridinyl]methyl-methylamino]ethyl-[(4-methoxycarbonyl-2-pyridinyl)methyl]amino]methyl]pyridine-4-carboxylate;1-[6-[5-(1-propyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]-2-pyridinyl]-N,N-bis(pyrimidin-2-ylmethyl)methanamine is CCCN1CCc2cc(-c3cnc(-c4cccc(CN(Cc5ncccn5)Cc5ncccn5)n4)s3)ccc21.CCCNc1ccc(-c2cnc(-c3cccc(CN(Cc4ncccn4)Cc4ncccn4)n3)s2)cc1.CN(C)c1ccc(-c2cnc(-c3ccccn3)s2)cc1.CN(CCN(Cc1cc(C(=O)[O-])ccn1)Cc1cc(C(=O)[O-])ccn1)Cc1cccc(-c2ncc(-c3ccc(CO)cc3)s2)n1.COC(=O)c1ccnc(CN(CCN(C)Cc2cccc(-c3ncc(-c4ccc(CO)cc4)s3)n2)Cc2cc(C(=O)OC)ccn2)c1.COC(=O)c1ccnc(CN(CCN(Cc2cc(C(=O)OC)ccn2)Cc2cccc(-c3ncc(-c4ccc(CO)cc4)s3)n2)Cc2cc(C(=O)OC)ccn2)c1.COC(=O)c1ccnc(CN(CCO)Cc2cccc(-c3ncc(-c4ccc(CO)cc4)s3)n2)c1.COc1ccc(-c2ccc(-c3cnc(-c4ccccn4)s3)s2)cc1.O=C([O-])c1ccnc(CN(CCN(Cc2cc(C(=O)[O-])ccn2)Cc2cccc(-c3ncc(-c4ccc(CO)cc4)s3)n2)Cc2cc(C(=O)[O-])ccn2)c1.O=C([O-])c1ccnc(CN(CCO)Cc2cccc(-c3ncc(-c4ccc(CO)cc4)s3)n2)c1.[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].
What is the InChIKey of hexasodium;2-[[2-[bis[(4-carboxylato-2-pyridinyl)methyl]amino]ethyl-[[6-[5-[4-(hydroxymethyl)phenyl]-1,3-thiazol-2-yl]-2-pyridinyl]methyl]amino]methyl]pyridine-4-carboxylate;4-[2-[6-[[bis(pyrimidin-2-ylmethyl)amino]methyl]-2-pyridinyl]-1,3-thiazol-5-yl]-N-propylaniline;2-[[(4-carboxylato-2-pyridinyl)methyl-[2-[[6-[5-[4-(hydroxymethyl)phenyl]-1,3-thiazol-2-yl]-2-pyridinyl]methyl-methylamino]ethyl]amino]methyl]pyridine-4-carboxylate;N,N-dimethyl-4-(2-pyridin-2-yl-1,3-thiazol-5-yl)aniline;2-[[2-hydroxyethyl-[[6-[5-[4-(hydroxymethyl)phenyl]-1,3-thiazol-2-yl]-2-pyridinyl]methyl]amino]methyl]pyridine-4-carboxylate;5-[5-(4-methoxyphenyl)thiophen-2-yl]-2-pyridin-2-yl-1,3-thiazole;methyl 2-[[2-[bis[(4-methoxycarbonyl-2-pyridinyl)methyl]amino]ethyl-[[6-[5-[4-(hydroxymethyl)phenyl]-1,3-thiazol-2-yl]-2-pyridinyl]methyl]amino]methyl]pyridine-4-carboxylate;methyl 2-[[2-hydroxyethyl-[[6-[5-[4-(hydroxymethyl)phenyl]-1,3-thiazol-2-yl]-2-pyridinyl]methyl]amino]methyl]pyridine-4-carboxylate;methyl 2-[[2-[[6-[5-[4-(hydroxymethyl)phenyl]-1,3-thiazol-2-yl]-2-pyridinyl]methyl-methylamino]ethyl-[(4-methoxycarbonyl-2-pyridinyl)methyl]amino]methyl]pyridine-4-carboxylate;1-[6-[5-(1-propyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]-2-pyridinyl]-N,N-bis(pyrimidin-2-ylmethyl)methanamine?
The InChIKey is GXQGTIMLBAUIRM-UHFFFAOYSA-H. The full InChI is InChI=1S/C42H41N7O7S.C39H35N7O7S.C35H36N6O5S.C33H32N6O5S.C30H30N8S.C28H28N8S.C26H26N4O4S.C25H24N4O4S.C19H14N2OS2.C16H15N3S.6Na/c1-54-40(51)30-11-14-43-34(19-30)24-48(23-33-5-4-6-37(47-33)39-46-22-38(57-39)29-9-7-28(27-50)8-10-29)17-18-49(25-35-20-31(12-15-44-35)41(52)55-2)26-36-21-32(13-16-45-36)42(53)56-3;47-24-25-4-6-26(7-5-25)35-19-43-36(54-35)34-3-1-2-30(44-34)20-45(21-31-16-27(37(48)49)8-11-40-31)14-15-46(22-32-17-28(38(50)51)9-12-41-32)23-33-18-29(39(52)53)10-13-42-33;1-40(20-28-5-4-6-31(39-28)33-38-19-32(47-33)25-9-7-24(23-42)8-10-25)15-16-41(21-29-17-26(11-13-36-29)34(43)45-2)22-30-18-27(12-14-37-30)35(44)46-3;1-38(18-26-3-2-4-29(37-26)31-36-17-30(45-31)23-7-5-22(21-40)6-8-23)13-14-39(19-27-15-24(32(41)42)9-11-34-27)20-28-16-25(33(43)44)10-12-35-28;1-2-15-38-16-10-22-17-23(8-9-26(22)38)27-18-35-30(39-27)25-7-3-6-24(36-25)19-37(20-28-31-11-4-12-32-28)21-29-33-13-5-14-34-29;1-2-12-29-22-10-8-21(9-11-22)25-17-34-28(37-25)24-7-3-6-23(35-24)18-36(19-26-30-13-4-14-31-26)20-27-32-15-5-16-33-27;1-34-26(33)20-9-10-27-22(13-20)16-30(11-12-31)15-21-3-2-4-23(29-21)25-28-14-24(35-25)19-7-5-18(17-32)6-8-19;30-11-10-29(15-21-12-19(25(32)33)8-9-26-21)14-20-2-1-3-22(28-20)24-27-13-23(34-24)18-6-4-17(16-31)5-7-18;1-22-14-7-5-13(6-8-14)16-9-10-17(23-16)18-12-21-19(24-18)15-4-2-3-11-20-15;1-19(2)13-8-6-12(7-9-13)15-11-18-16(20-15)14-5-3-4-10-17-14;;;;;;/h4-16,19-22,50H,17-18,23-27H2,1-3H3;1-13,16-19,47H,14-15,20-24H2,(H,48,49)(H,50,51)(H,52,53);4-14,17-19,42H,15-16,20-23H2,1-3H3;2-12,15-17,40H,13-14,18-21H2,1H3,(H,41,42)(H,43,44);3-9,11-14,17-18H,2,10,15-16,19-21H2,1H3;3-11,13-17,29H,2,12,18-20H2,1H3;2-10,13-14,31-32H,11-12,15-17H2,1H3;1-9,12-13,30-31H,10-11,14-16H2,(H,32,33);2-12H,1H3;3-11H,1-2H3;;;;;;/q;;;;;;;;;;6*+1/p-6.
What are the key properties of hexasodium;2-[[2-[bis[(4-carboxylato-2-pyridinyl)methyl]amino]ethyl-[[6-[5-[4-(hydroxymethyl)phenyl]-1,3-thiazol-2-yl]-2-pyridinyl]methyl]amino]methyl]pyridine-4-carboxylate;4-[2-[6-[[bis(pyrimidin-2-ylmethyl)amino]methyl]-2-pyridinyl]-1,3-thiazol-5-yl]-N-propylaniline;2-[[(4-carboxylato-2-pyridinyl)methyl-[2-[[6-[5-[4-(hydroxymethyl)phenyl]-1,3-thiazol-2-yl]-2-pyridinyl]methyl-methylamino]ethyl]amino]methyl]pyridine-4-carboxylate;N,N-dimethyl-4-(2-pyridin-2-yl-1,3-thiazol-5-yl)aniline;2-[[2-hydroxyethyl-[[6-[5-[4-(hydroxymethyl)phenyl]-1,3-thiazol-2-yl]-2-pyridinyl]methyl]amino]methyl]pyridine-4-carboxylate;5-[5-(4-methoxyphenyl)thiophen-2-yl]-2-pyridin-2-yl-1,3-thiazole;methyl 2-[[2-[bis[(4-methoxycarbonyl-2-pyridinyl)methyl]amino]ethyl-[[6-[5-[4-(hydroxymethyl)phenyl]-1,3-thiazol-2-yl]-2-pyridinyl]methyl]amino]methyl]pyridine-4-carboxylate;methyl 2-[[2-hydroxyethyl-[[6-[5-[4-(hydroxymethyl)phenyl]-1,3-thiazol-2-yl]-2-pyridinyl]methyl]amino]methyl]pyridine-4-carboxylate;methyl 2-[[2-[[6-[5-[4-(hydroxymethyl)phenyl]-1,3-thiazol-2-yl]-2-pyridinyl]methyl-methylamino]ethyl-[(4-methoxycarbonyl-2-pyridinyl)methyl]amino]methyl]pyridine-4-carboxylate;1-[6-[5-(1-propyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]-2-pyridinyl]-N,N-bis(pyrimidin-2-ylmethyl)methanamine?
hexasodium;2-[[2-[bis[(4-carboxylato-2-pyridinyl)methyl]amino]ethyl-[[6-[5-[4-(hydroxymethyl)phenyl]-1,3-thiazol-2-yl]-2-pyridinyl]methyl]amino]methyl]pyridine-4-carboxylate;4-[2-[6-[[bis(pyrimidin-2-ylmethyl)amino]methyl]-2-pyridinyl]-1,3-thiazol-5-yl]-N-propylaniline;2-[[(4-carboxylato-2-pyridinyl)methyl-[2-[[6-[5-[4-(hydroxymethyl)phenyl]-1,3-thiazol-2-yl]-2-pyridinyl]methyl-methylamino]ethyl]amino]methyl]pyridine-4-carboxylate;N,N-dimethyl-4-(2-pyridin-2-yl-1,3-thiazol-5-yl)aniline;2-[[2-hydroxyethyl-[[6-[5-[4-(hydroxymethyl)phenyl]-1,3-thiazol-2-yl]-2-pyridinyl]methyl]amino]methyl]pyridine-4-carboxylate;5-[5-(4-methoxyphenyl)thiophen-2-yl]-2-pyridin-2-yl-1,3-thiazole;methyl 2-[[2-[bis[(4-methoxycarbonyl-2-pyridinyl)methyl]amino]ethyl-[[6-[5-[4-(hydroxymethyl)phenyl]-1,3-thiazol-2-yl]-2-pyridinyl]methyl]amino]methyl]pyridine-4-carboxylate;methyl 2-[[2-hydroxyethyl-[[6-[5-[4-(hydroxymethyl)phenyl]-1,3-thiazol-2-yl]-2-pyridinyl]methyl]amino]methyl]pyridine-4-carboxylate;methyl 2-[[2-[[6-[5-[4-(hydroxymethyl)phenyl]-1,3-thiazol-2-yl]-2-pyridinyl]methyl-methylamino]ethyl-[(4-methoxycarbonyl-2-pyridinyl)methyl]amino]methyl]pyridine-4-carboxylate;1-[6-[5-(1-propyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]-2-pyridinyl]-N,N-bis(pyrimidin-2-ylmethyl)methanamine has a molecular weight of 5585.45 g/mol, XLogP of 21.97, 110 rotatable bonds, 9 hydrogen bond donors, and 99 hydrogen bond acceptors.
Where does this data come from?
All data for hexasodium;2-[[2-[bis[(4-carboxylato-2-pyridinyl)methyl]amino]ethyl-[[6-[5-[4-(hydroxymethyl)phenyl]-1,3-thiazol-2-yl]-2-pyridinyl]methyl]amino]methyl]pyridine-4-carboxylate;4-[2-[6-[[bis(pyrimidin-2-ylmethyl)amino]methyl]-2-pyridinyl]-1,3-thiazol-5-yl]-N-propylaniline;2-[[(4-carboxylato-2-pyridinyl)methyl-[2-[[6-[5-[4-(hydroxymethyl)phenyl]-1,3-thiazol-2-yl]-2-pyridinyl]methyl-methylamino]ethyl]amino]methyl]pyridine-4-carboxylate;N,N-dimethyl-4-(2-pyridin-2-yl-1,3-thiazol-5-yl)aniline;2-[[2-hydroxyethyl-[[6-[5-[4-(hydroxymethyl)phenyl]-1,3-thiazol-2-yl]-2-pyridinyl]methyl]amino]methyl]pyridine-4-carboxylate;5-[5-(4-methoxyphenyl)thiophen-2-yl]-2-pyridin-2-yl-1,3-thiazole;methyl 2-[[2-[bis[(4-methoxycarbonyl-2-pyridinyl)methyl]amino]ethyl-[[6-[5-[4-(hydroxymethyl)phenyl]-1,3-thiazol-2-yl]-2-pyridinyl]methyl]amino]methyl]pyridine-4-carboxylate;methyl 2-[[2-hydroxyethyl-[[6-[5-[4-(hydroxymethyl)phenyl]-1,3-thiazol-2-yl]-2-pyridinyl]methyl]amino]methyl]pyridine-4-carboxylate;methyl 2-[[2-[[6-[5-[4-(hydroxymethyl)phenyl]-1,3-thiazol-2-yl]-2-pyridinyl]methyl-methylamino]ethyl-[(4-methoxycarbonyl-2-pyridinyl)methyl]amino]methyl]pyridine-4-carboxylate;1-[6-[5-(1-propyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]-2-pyridinyl]-N,N-bis(pyrimidin-2-ylmethyl)methanamine is sourced from PubChem (CID 158397089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).