2-[7-(2,4-dimethylimidazol-1-yl)-3,4-dihydro-1H-isoquinolin-2-yl]-5-[(4-pyrazol-1-ylphenyl)methyl]-1,3-thiazole;1-methylidene-4-[4-[[2-(7-morpholin-4-yl-3,4-dihydro-1H-isoquinolin-2-yl)-1,3-thiazol-5-yl]methyl]phenyl]-1,4-thiazinane 1-oxide;3-[2-[5-[[4-(1-methylidene-1-oxo-1,4-thiazinan-4-yl)phenyl]methyl]-1,3-thiazol-2-yl]-3,4-dihydro-1H-isoquinolin-7-yl]-1,3-oxazolidin-2-one;3-[4-[[2-[7-(3-methyl-2-oxoimidazolidin-1-yl)-3,4-dihydro-1H-isoquinolin-2-yl]-1,3-thiazol-5-yl]methyl]phenyl]-1,3-oxazolidin-2-one;1-methyl-3-[2-[5-[(4-pyrazol-1-ylphenyl)methyl]-1,3-thiazol-2-yl]-3,4-dihydro-1H-isoquinolin-7-yl]imidazolidin-2-one;3-[2-[5-[(4-methylsulfonylphenyl)methyl]-1,3-thiazol-2-yl]-3,4-dihydro-1H-isoquinolin-7-yl]-1,3-oxazolidin-2-one;3-[2-[5-[(4-piperidin-1-ylphenyl)methyl]-1,3-thiazol-2-yl]-3,4-dihydro-1H-isoquinolin-7-yl]-1,3-oxazolidin-2-one;4-[2-[5-[(4-pyrazol-1-ylphenyl)methyl]-1,3-thiazol-2-yl]-3,4-dihydro-1H-isoquinolin-7-yl]morpholine;tris(3-[2-[5-[(4-pyrazol-1-ylphenyl)methyl]-1,3-thiazol-2-yl]-3,4-dihydro-1H-isoquinolin-7-yl]-1,3-oxazolidin-2-one);1-[2-[5-[(4-pyrazol-1-ylphenyl)methyl]-1,3-thiazol-2-yl]-3,4-dihydro-1H-isoquinolin-7-yl]pyrrolidin-2-one;4-[2-[5-[(4-pyrimidin-2-ylphenyl)methyl]-1,3-thiazol-2-yl]-3,4-dihydro-1H-isoquinolin-7-yl]morpholine;3-[2-[5-[(4-pyrimidin-2-ylphenyl)methyl]-1,3-thiazol-2-yl]-3,4-dihydro-1H-isoquinolin-7-yl]-1,3-oxazolidin-2-one

C364H367N67O26S17 — CID 161447077

IUPAC2-[7-(2,4-dimethylimidazol-1-yl)-3,4-dihydro-1H-isoquinolin-2-yl]-5-[(4-pyrazol-1-ylphenyl)methyl]-1,3-thiazole;1-methylidene-4-[4-[[2-(7-morpholin-4-yl-3,4-dihydro-1H-isoquinolin-2-yl)-1,3-thiazol-5-yl]methyl]phenyl]-1,4-thiazinane 1-oxide;3-[2-[5-[[4-(1-methylidene-1-oxo-1,4-thiazinan-4-yl)phenyl]methyl]-1,3-thiazol-2-yl]-3,4-dihydro-1H-isoquinolin-7-yl]-1,3-oxazolidin-2-one;3-[4-[[2-[7-(3-methyl-2-oxoimidazolidin-1-yl)-3,4-dihydro-1H-isoquinolin-2-yl]-1,3-thiazol-5-yl]methyl]phenyl]-1,3-oxazolidin-2-one;1-methyl-3-[2-[5-[(4-pyrazol-1-ylphenyl)methyl]-1,3-thiazol-2-yl]-3,4-dihydro-1H-isoquinolin-7-yl]imidazolidin-2-one;3-[2-[5-[(4-methylsulfonylphenyl)methyl]-1,3-thiazol-2-yl]-3,4-dihydro-1H-isoquinolin-7-yl]-1,3-oxazolidin-2-one;3-[2-[5-[(4-piperidin-1-ylphenyl)methyl]-1,3-thiazol-2-yl]-3,4-dihydro-1H-isoquinolin-7-yl]-1,3-oxazolidin-2-one;4-[2-[5-[(4-pyrazol-1-ylphenyl)methyl]-1,3-thiazol-2-yl]-3,4-dihydro-1H-isoquinolin-7-yl]morpholine;tris(3-[2-[5-[(4-pyrazol-1-ylphenyl)methyl]-1,3-thiazol-2-yl]-3,4-dihydro-1H-isoquinolin-7-yl]-1,3-oxazolidin-2-one);1-[2-[5-[(4-pyrazol-1-ylphenyl)methyl]-1,3-thiazol-2-yl]-3,4-dihydro-1H-isoquinolin-7-yl]pyrrolidin-2-one;4-[2-[5-[(4-pyrimidin-2-ylphenyl)methyl]-1,3-thiazol-2-yl]-3,4-dihydro-1H-isoquinolin-7-yl]morpholine;3-[2-[5-[(4-pyrimidin-2-ylphenyl)methyl]-1,3-thiazol-2-yl]-3,4-dihydro-1H-isoquinolin-7-yl]-1,3-oxazolidin-2-one
SMILESC=S1(=O)CCN(c2ccc(Cc3cnc(N4CCc5ccc(N6CCOC6=O)cc5C4)s3)cc2)CC1.C=S1(=O)CCN(c2ccc(Cc3cnc(N4CCc5ccc(N6CCOCC6)cc5C4)s3)cc2)CC1.CN1CCN(c2ccc3c(c2)CN(c2ncc(Cc4ccc(-n5cccn5)cc4)s2)CC3)C1=O.CN1CCN(c2ccc3c(c2)CN(c2ncc(Cc4ccc(N5CCOC5=O)cc4)s2)CC3)C1=O.CS(=O)(=O)c1ccc(Cc2cnc(N3CCc4ccc(N5CCOC5=O)cc4C3)s2)cc1.Cc1cn(-c2ccc3c(c2)CN(c2ncc(Cc4ccc(-n5cccn5)cc4)s2)CC3)c(C)n1.O=C1CCCN1c1ccc2c(c1)CN(c1ncc(Cc3ccc(-n4cccn4)cc3)s1)CC2.O=C1OCCN1c1ccc2c(c1)CN(c1ncc(Cc3ccc(-c4ncccn4)cc3)s1)CC2.O=C1OCCN1c1ccc2c(c1)CN(c1ncc(Cc3ccc(-n4cccn4)cc3)s1)CC2.O=C1OCCN1c1ccc2c(c1)CN(c1ncc(Cc3ccc(-n4cccn4)cc3)s1)CC2.O=C1OCCN1c1ccc2c(c1)CN(c1ncc(Cc3ccc(-n4cccn4)cc3)s1)CC2.O=C1OCCN1c1ccc2c(c1)CN(c1ncc(Cc3ccc(N4CCCCC4)cc3)s1)CC2.c1cnc(-c2ccc(Cc3cnc(N4CCc5ccc(N6CCOCC6)cc5C4)s3)cc2)nc1.c1cnn(-c2ccc(Cc3cnc(N4CCc5ccc(N6CCOCC6)cc5C4)s3)cc2)c1
InChIInChI=1S/C28H34N4O2S2.C27H26N6S.C27H27N5OS.C27H30N4O3S2.C27H30N4O2S.C26H26N6OS.C26H27N5O3S.C26H23N5O2S.C26H27N5OS.C26H25N5OS.3C25H23N5O2S.C23H23N3O4S2/c1-36(33)16-12-31(13-17-36)25-5-2-22(3-6-25)18-27-20-29-28(35-27)32-9-8-23-4-7-26(19-24(23)21-32)30-10-14-34-15-11-30;1-19-17-32(20(2)30-19)25-9-6-22-10-13-31(18-23(22)15-25)27-28-16-26(34-27)14-21-4-7-24(8-5-21)33-12-3-11-29-33;1-9-28-26(29-10-1)22-4-2-20(3-5-22)16-25-18-30-27(34-25)32-11-8-21-6-7-24(17-23(21)19-32)31-12-14-33-15-13-31;1-36(33)14-11-29(12-15-36)23-5-2-20(3-6-23)16-25-18-28-26(35-25)30-9-8-21-4-7-24(17-22(21)19-30)31-10-13-34-27(31)32;32-27-31(14-15-33-27)24-9-6-21-10-13-30(19-22(21)17-24)26-28-18-25(34-26)16-20-4-7-23(8-5-20)29-11-2-1-3-12-29;1-29-13-14-31(26(29)33)23-8-5-20-9-12-30(18-21(20)16-23)25-27-17-24(34-25)15-19-3-6-22(7-4-19)32-11-2-10-28-32;1-28-10-11-30(25(28)32)22-7-4-19-8-9-29(17-20(19)15-22)24-27-16-23(35-24)14-18-2-5-21(6-3-18)31-12-13-34-26(31)33;32-26-31(12-13-33-26)22-7-6-19-8-11-30(17-21(19)15-22)25-29-16-23(34-25)14-18-2-4-20(5-3-18)24-27-9-1-10-28-24;1-9-28-31(10-1)23-5-2-20(3-6-23)16-25-18-27-26(33-25)30-11-8-21-4-7-24(17-22(21)19-30)29-12-14-32-15-13-29;32-25-3-1-12-30(25)23-9-6-20-10-14-29(18-21(20)16-23)26-27-17-24(33-26)15-19-4-7-22(8-5-19)31-13-2-11-28-31;3*31-25-29(12-13-32-25)22-7-4-19-8-11-28(17-20(19)15-22)24-26-16-23(33-24)14-18-2-5-21(6-3-18)30-10-1-9-27-30;1-32(28,29)21-6-2-16(3-7-21)12-20-14-24-22(31-20)25-9-8-17-4-5-19(13-18(17)15-25)26-10-11-30-23(26)27/h2-7,19-20H,1,8-18,21H2;3-9,11-12,15-17H,10,13-14,18H2,1-2H3;1-7,9-10,17-18H,8,11-16,19H2;2-7,17-18H,1,8-16,19H2;4-9,17-18H,1-3,10-16,19H2;2-8,10-11,16-17H,9,12-15,18H2,1H3;2-7,15-16H,8-14,17H2,1H3;1-7,9-10,15-16H,8,11-14,17H2;1-7,9-10,17-18H,8,11-16,19H2;2,4-9,11,13,16-17H,1,3,10,12,14-15,18H2;3*1-7,9-10,15-16H,8,11-14,17H2;2-7,13-14H,8-12,15H2,1H3
InChIKeyWAARDPRCBSVTRM-UHFFFAOYSA-N
MW6641.52 g/mol
LogP61.67
Rot. Bonds70

About 2-[7-(2,4-dimethylimidazol-1-yl)-3,4-dihydro-1H-isoquinolin-2-yl]-5-[(4-pyrazol-1-ylphenyl)methyl]-1,3-thiazole;1-methylidene-4-[4-[[2-(7-morpholin-4-yl-3,4-dihydro-1H-isoquinolin-2-yl)-1,3-thiazol-5-yl]methyl]phenyl]-1,4-thiazinane 1-oxide;3-[2-[5-[[4-(1-methylidene-1-oxo-1,4-thiazinan-4-yl)phenyl]methyl]-1,3-thiazol-2-yl]-3,4-dihydro-1H-isoquinolin-7-yl]-1,3-oxazolidin-2-one;3-[4-[[2-[7-(3-methyl-2-oxoimidazolidin-1-yl)-3,4-dihydro-1H-isoquinolin-2-yl]-1,3-thiazol-5-yl]methyl]phenyl]-1,3-oxazolidin-2-one;1-methyl-3-[2-[5-[(4-pyrazol-1-ylphenyl)methyl]-1,3-thiazol-2-yl]-3,4-dihydro-1H-isoquinolin-7-yl]imidazolidin-2-one;3-[2-[5-[(4-methylsulfonylphenyl)methyl]-1,3-thiazol-2-yl]-3,4-dihydro-1H-isoquinolin-7-yl]-1,3-oxazolidin-2-one;3-[2-[5-[(4-piperidin-1-ylphenyl)methyl]-1,3-thiazol-2-yl]-3,4-dihydro-1H-isoquinolin-7-yl]-1,3-oxazolidin-2-one;4-[2-[5-[(4-pyrazol-1-ylphenyl)methyl]-1,3-thiazol-2-yl]-3,4-dihydro-1H-isoquinolin-7-yl]morpholine;tris(3-[2-[5-[(4-pyrazol-1-ylphenyl)methyl]-1,3-thiazol-2-yl]-3,4-dihydro-1H-isoquinolin-7-yl]-1,3-oxazolidin-2-one);1-[2-[5-[(4-pyrazol-1-ylphenyl)methyl]-1,3-thiazol-2-yl]-3,4-dihydro-1H-isoquinolin-7-yl]pyrrolidin-2-one;4-[2-[5-[(4-pyrimidin-2-ylphenyl)methyl]-1,3-thiazol-2-yl]-3,4-dihydro-1H-isoquinolin-7-yl]morpholine;3-[2-[5-[(4-pyrimidin-2-ylphenyl)methyl]-1,3-thiazol-2-yl]-3,4-dihydro-1H-isoquinolin-7-yl]-1,3-oxazolidin-2-one

2-[7-(2,4-dimethylimidazol-1-yl)-3,4-dihydro-1H-isoquinolin-2-yl]-5-[(4-pyrazol-1-ylphenyl)methyl]-1,3-thiazole;1-methylidene-4-[4-[[2-(7-morpholin-4-yl-3,4-dihydro-1H-isoquinolin-2-yl)-1,3-thiazol-5-yl]methyl]phenyl]-1,4-thiazinane 1-oxide;3-[2-[5-[[4-(1-methylidene-1-oxo-1,4-thiazinan-4-yl)phenyl]methyl]-1,3-thiazol-2-yl]-3,4-dihydro-1H-isoquinolin-7-yl]-1,3-oxazolidin-2-one;3-[4-[[2-[7-(3-methyl-2-oxoimidazolidin-1-yl)-3,4-dihydro-1H-isoquinolin-2-yl]-1,3-thiazol-5-yl]methyl]phenyl]-1,3-oxazolidin-2-one;1-methyl-3-[2-[5-[(4-pyrazol-1-ylphenyl)methyl]-1,3-thiazol-2-yl]-3,4-dihydro-1H-isoquinolin-7-yl]imidazolidin-2-one;3-[2-[5-[(4-methylsulfonylphenyl)methyl]-1,3-thiazol-2-yl]-3,4-dihydro-1H-isoquinolin-7-yl]-1,3-oxazolidin-2-one;3-[2-[5-[(4-piperidin-1-ylphenyl)methyl]-1,3-thiazol-2-yl]-3,4-dihydro-1H-isoquinolin-7-yl]-1,3-oxazolidin-2-one;4-[2-[5-[(4-pyrazol-1-ylphenyl)methyl]-1,3-thiazol-2-yl]-3,4-dihydro-1H-isoquinolin-7-yl]morpholine;tris(3-[2-[5-[(4-pyrazol-1-ylphenyl)methyl]-1,3-thiazol-2-yl]-3,4-dihydro-1H-isoquinolin-7-yl]-1,3-oxazolidin-2-one);1-[2-[5-[(4-pyrazol-1-ylphenyl)methyl]-1,3-thiazol-2-yl]-3,4-dihydro-1H-isoquinolin-7-yl]pyrrolidin-2-one;4-[2-[5-[(4-pyrimidin-2-ylphenyl)methyl]-1,3-thiazol-2-yl]-3,4-dihydro-1H-isoquinolin-7-yl]morpholine;3-[2-[5-[(4-pyrimidin-2-ylphenyl)methyl]-1,3-thiazol-2-yl]-3,4-dihydro-1H-isoquinolin-7-yl]-1,3-oxazolidin-2-one (PubChem CID 161447077) has the molecular formula C364H367N67O26S17 and a molecular weight of 6641.52 g/mol. Its IUPAC name is 2-[7-(2,4-dimethylimidazol-1-yl)-3,4-dihydro-1H-isoquinolin-2-yl]-5-[(4-pyrazol-1-ylphenyl)methyl]-1,3-thiazole;1-methylidene-4-[4-[[2-(7-morpholin-4-yl-3,4-dihydro-1H-isoquinolin-2-yl)-1,3-thiazol-5-yl]methyl]phenyl]-1,4-thiazinane 1-oxide;3-[2-[5-[[4-(1-methylidene-1-oxo-1,4-thiazinan-4-yl)phenyl]methyl]-1,3-thiazol-2-yl]-3,4-dihydro-1H-isoquinolin-7-yl]-1,3-oxazolidin-2-one;3-[4-[[2-[7-(3-methyl-2-oxoimidazolidin-1-yl)-3,4-dihydro-1H-isoquinolin-2-yl]-1,3-thiazol-5-yl]methyl]phenyl]-1,3-oxazolidin-2-one;1-methyl-3-[2-[5-[(4-pyrazol-1-ylphenyl)methyl]-1,3-thiazol-2-yl]-3,4-dihydro-1H-isoquinolin-7-yl]imidazolidin-2-one;3-[2-[5-[(4-methylsulfonylphenyl)methyl]-1,3-thiazol-2-yl]-3,4-dihydro-1H-isoquinolin-7-yl]-1,3-oxazolidin-2-one;3-[2-[5-[(4-piperidin-1-ylphenyl)methyl]-1,3-thiazol-2-yl]-3,4-dihydro-1H-isoquinolin-7-yl]-1,3-oxazolidin-2-one;4-[2-[5-[(4-pyrazol-1-ylphenyl)methyl]-1,3-thiazol-2-yl]-3,4-dihydro-1H-isoquinolin-7-yl]morpholine;tris(3-[2-[5-[(4-pyrazol-1-ylphenyl)methyl]-1,3-thiazol-2-yl]-3,4-dihydro-1H-isoquinolin-7-yl]-1,3-oxazolidin-2-one);1-[2-[5-[(4-pyrazol-1-ylphenyl)methyl]-1,3-thiazol-2-yl]-3,4-dihydro-1H-isoquinolin-7-yl]pyrrolidin-2-one;4-[2-[5-[(4-pyrimidin-2-ylphenyl)methyl]-1,3-thiazol-2-yl]-3,4-dihydro-1H-isoquinolin-7-yl]morpholine;3-[2-[5-[(4-pyrimidin-2-ylphenyl)methyl]-1,3-thiazol-2-yl]-3,4-dihydro-1H-isoquinolin-7-yl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name2-[7-(2,4-dimethylimidazol-1-yl)-3,4-dihydro-1H-isoquinolin-2-yl]-5-[(4-pyrazol-1-ylphenyl)methyl]-1,3-thiazole;1-methylidene-4-[4-[[2-(7-morpholin-4-yl-3,4-dihydro-1H-isoquinolin-2-yl)-1,3-thiazol-5-yl]methyl]phenyl]-1,4-thiazinane 1-oxide;3-[2-[5-[[4-(1-methylidene-1-oxo-1,4-thiazinan-4-yl)phenyl]methyl]-1,3-thiazol-2-yl]-3,4-dihydro-1H-isoquinolin-7-yl]-1,3-oxazolidin-2-one;3-[4-[[2-[7-(3-methyl-2-oxoimidazolidin-1-yl)-3,4-dihydro-1H-isoquinolin-2-yl]-1,3-thiazol-5-yl]methyl]phenyl]-1,3-oxazolidin-2-one;1-methyl-3-[2-[5-[(4-pyrazol-1-ylphenyl)methyl]-1,3-thiazol-2-yl]-3,4-dihydro-1H-isoquinolin-7-yl]imidazolidin-2-one;3-[2-[5-[(4-methylsulfonylphenyl)methyl]-1,3-thiazol-2-yl]-3,4-dihydro-1H-isoquinolin-7-yl]-1,3-oxazolidin-2-one;3-[2-[5-[(4-piperidin-1-ylphenyl)methyl]-1,3-thiazol-2-yl]-3,4-dihydro-1H-isoquinolin-7-yl]-1,3-oxazolidin-2-one;4-[2-[5-[(4-pyrazol-1-ylphenyl)methyl]-1,3-thiazol-2-yl]-3,4-dihydro-1H-isoquinolin-7-yl]morpholine;tris(3-[2-[5-[(4-pyrazol-1-ylphenyl)methyl]-1,3-thiazol-2-yl]-3,4-dihydro-1H-isoquinolin-7-yl]-1,3-oxazolidin-2-one);1-[2-[5-[(4-pyrazol-1-ylphenyl)methyl]-1,3-thiazol-2-yl]-3,4-dihydro-1H-isoquinolin-7-yl]pyrrolidin-2-one;4-[2-[5-[(4-pyrimidin-2-ylphenyl)methyl]-1,3-thiazol-2-yl]-3,4-dihydro-1H-isoquinolin-7-yl]morpholine;3-[2-[5-[(4-pyrimidin-2-ylphenyl)methyl]-1,3-thiazol-2-yl]-3,4-dihydro-1H-isoquinolin-7-yl]-1,3-oxazolidin-2-one
PubChem CID161447077
Molecular FormulaC364H367N67O26S17
Molecular Weight6641.52 g/mol
Exact Mass6635.47
IUPAC Name2-[7-(2,4-dimethylimidazol-1-yl)-3,4-dihydro-1H-isoquinolin-2-yl]-5-[(4-pyrazol-1-ylphenyl)methyl]-1,3-thiazole;1-methylidene-4-[4-[[2-(7-morpholin-4-yl-3,4-dihydro-1H-isoquinolin-2-yl)-1,3-thiazol-5-yl]methyl]phenyl]-1,4-thiazinane 1-oxide;3-[2-[5-[[4-(1-methylidene-1-oxo-1,4-thiazinan-4-yl)phenyl]methyl]-1,3-thiazol-2-yl]-3,4-dihydro-1H-isoquinolin-7-yl]-1,3-oxazolidin-2-one;3-[4-[[2-[7-(3-methyl-2-oxoimidazolidin-1-yl)-3,4-dihydro-1H-isoquinolin-2-yl]-1,3-thiazol-5-yl]methyl]phenyl]-1,3-oxazolidin-2-one;1-methyl-3-[2-[5-[(4-pyrazol-1-ylphenyl)methyl]-1,3-thiazol-2-yl]-3,4-dihydro-1H-isoquinolin-7-yl]imidazolidin-2-one;3-[2-[5-[(4-methylsulfonylphenyl)methyl]-1,3-thiazol-2-yl]-3,4-dihydro-1H-isoquinolin-7-yl]-1,3-oxazolidin-2-one;3-[2-[5-[(4-piperidin-1-ylphenyl)methyl]-1,3-thiazol-2-yl]-3,4-dihydro-1H-isoquinolin-7-yl]-1,3-oxazolidin-2-one;4-[2-[5-[(4-pyrazol-1-ylphenyl)methyl]-1,3-thiazol-2-yl]-3,4-dihydro-1H-isoquinolin-7-yl]morpholine;tris(3-[2-[5-[(4-pyrazol-1-ylphenyl)methyl]-1,3-thiazol-2-yl]-3,4-dihydro-1H-isoquinolin-7-yl]-1,3-oxazolidin-2-one);1-[2-[5-[(4-pyrazol-1-ylphenyl)methyl]-1,3-thiazol-2-yl]-3,4-dihydro-1H-isoquinolin-7-yl]pyrrolidin-2-one;4-[2-[5-[(4-pyrimidin-2-ylphenyl)methyl]-1,3-thiazol-2-yl]-3,4-dihydro-1H-isoquinolin-7-yl]morpholine;3-[2-[5-[(4-pyrimidin-2-ylphenyl)methyl]-1,3-thiazol-2-yl]-3,4-dihydro-1H-isoquinolin-7-yl]-1,3-oxazolidin-2-one
SMILESC=S1(=O)CCN(c2ccc(Cc3cnc(N4CCc5ccc(N6CCOC6=O)cc5C4)s3)cc2)CC1.C=S1(=O)CCN(c2ccc(Cc3cnc(N4CCc5ccc(N6CCOCC6)cc5C4)s3)cc2)CC1.CN1CCN(c2ccc3c(c2)CN(c2ncc(Cc4ccc(-n5cccn5)cc4)s2)CC3)C1=O.CN1CCN(c2ccc3c(c2)CN(c2ncc(Cc4ccc(N5CCOC5=O)cc4)s2)CC3)C1=O.CS(=O)(=O)c1ccc(Cc2cnc(N3CCc4ccc(N5CCOC5=O)cc4C3)s2)cc1.Cc1cn(-c2ccc3c(c2)CN(c2ncc(Cc4ccc(-n5cccn5)cc4)s2)CC3)c(C)n1.O=C1CCCN1c1ccc2c(c1)CN(c1ncc(Cc3ccc(-n4cccn4)cc3)s1)CC2.O=C1OCCN1c1ccc2c(c1)CN(c1ncc(Cc3ccc(-c4ncccn4)cc3)s1)CC2.O=C1OCCN1c1ccc2c(c1)CN(c1ncc(Cc3ccc(-n4cccn4)cc3)s1)CC2.O=C1OCCN1c1ccc2c(c1)CN(c1ncc(Cc3ccc(-n4cccn4)cc3)s1)CC2.O=C1OCCN1c1ccc2c(c1)CN(c1ncc(Cc3ccc(-n4cccn4)cc3)s1)CC2.O=C1OCCN1c1ccc2c(c1)CN(c1ncc(Cc3ccc(N4CCCCC4)cc3)s1)CC2.c1cnc(-c2ccc(Cc3cnc(N4CCc5ccc(N6CCOCC6)cc5C4)s3)cc2)nc1.c1cnn(-c2ccc(Cc3cnc(N4CCc5ccc(N6CCOCC6)cc5C4)s3)cc2)c1
InChIInChI=1S/C28H34N4O2S2.C27H26N6S.C27H27N5OS.C27H30N4O3S2.C27H30N4O2S.C26H26N6OS.C26H27N5O3S.C26H23N5O2S.C26H27N5OS.C26H25N5OS.3C25H23N5O2S.C23H23N3O4S2/c1-36(33)16-12-31(13-17-36)25-5-2-22(3-6-25)18-27-20-29-28(35-27)32-9-8-23-4-7-26(19-24(23)21-32)30-10-14-34-15-11-30;1-19-17-32(20(2)30-19)25-9-6-22-10-13-31(18-23(22)15-25)27-28-16-26(34-27)14-21-4-7-24(8-5-21)33-12-3-11-29-33;1-9-28-26(29-10-1)22-4-2-20(3-5-22)16-25-18-30-27(34-25)32-11-8-21-6-7-24(17-23(21)19-32)31-12-14-33-15-13-31;1-36(33)14-11-29(12-15-36)23-5-2-20(3-6-23)16-25-18-28-26(35-25)30-9-8-21-4-7-24(17-22(21)19-30)31-10-13-34-27(31)32;32-27-31(14-15-33-27)24-9-6-21-10-13-30(19-22(21)17-24)26-28-18-25(34-26)16-20-4-7-23(8-5-20)29-11-2-1-3-12-29;1-29-13-14-31(26(29)33)23-8-5-20-9-12-30(18-21(20)16-23)25-27-17-24(34-25)15-19-3-6-22(7-4-19)32-11-2-10-28-32;1-28-10-11-30(25(28)32)22-7-4-19-8-9-29(17-20(19)15-22)24-27-16-23(35-24)14-18-2-5-21(6-3-18)31-12-13-34-26(31)33;32-26-31(12-13-33-26)22-7-6-19-8-11-30(17-21(19)15-22)25-29-16-23(34-25)14-18-2-4-20(5-3-18)24-27-9-1-10-28-24;1-9-28-31(10-1)23-5-2-20(3-6-23)16-25-18-27-26(33-25)30-11-8-21-4-7-24(17-22(21)19-30)29-12-14-32-15-13-29;32-25-3-1-12-30(25)23-9-6-20-10-14-29(18-21(20)16-23)26-27-17-24(33-26)15-19-4-7-22(8-5-19)31-13-2-11-28-31;3*31-25-29(12-13-32-25)22-7-4-19-8-11-28(17-20(19)15-22)24-26-16-23(33-24)14-18-2-5-21(6-3-18)30-10-1-9-27-30;1-32(28,29)21-6-2-16(3-7-21)12-20-14-24-22(31-20)25-9-8-17-4-5-19(13-18(17)15-25)26-10-11-30-23(26)27/h2-7,19-20H,1,8-18,21H2;3-9,11-12,15-17H,10,13-14,18H2,1-2H3;1-7,9-10,17-18H,8,11-16,19H2;2-7,17-18H,1,8-16,19H2;4-9,17-18H,1-3,10-16,19H2;2-8,10-11,16-17H,9,12-15,18H2,1H3;2-7,15-16H,8-14,17H2,1H3;1-7,9-10,15-16H,8,11-14,17H2;1-7,9-10,17-18H,8,11-16,19H2;2,4-9,11,13,16-17H,1,3,10,12,14-15,18H2;3*1-7,9-10,15-16H,8,11-14,17H2;2-7,13-14H,8-12,15H2,1H3
InChIKeyWAARDPRCBSVTRM-UHFFFAOYSA-N
XLogP61.67
TPSA839.08 Ų
H-Bond Donors
H-Bond Acceptors94
Rotatable Bonds70
Heavy Atoms474
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5006641.52
LogP ≤ 561.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1094

Analyze 2-[7-(2,4-dimethylimidazol-1-yl)-3,4-dihydro-1H-isoquinolin-2-yl]-5-[(4-pyrazol-1-ylphenyl)methyl]-1,3-thiazole;1-methylidene-4-[4-[[2-(7-morpholin-4-yl-3,4-dihydro-1H-isoquinolin-2-yl)-1,3-thiazol-5-yl]methyl]phenyl]-1,4-thiazinane 1-oxide;3-[2-[5-[[4-(1-methylidene-1-oxo-1,4-thiazinan-4-yl)phenyl]methyl]-1,3-thiazol-2-yl]-3,4-dihydro-1H-isoquinolin-7-yl]-1,3-oxazolidin-2-one;3-[4-[[2-[7-(3-methyl-2-oxoimidazolidin-1-yl)-3,4-dihydro-1H-isoquinolin-2-yl]-1,3-thiazol-5-yl]methyl]phenyl]-1,3-oxazolidin-2-one;1-methyl-3-[2-[5-[(4-pyrazol-1-ylphenyl)methyl]-1,3-thiazol-2-yl]-3,4-dihydro-1H-isoquinolin-7-yl]imidazolidin-2-one;3-[2-[5-[(4-methylsulfonylphenyl)methyl]-1,3-thiazol-2-yl]-3,4-dihydro-1H-isoquinolin-7-yl]-1,3-oxazolidin-2-one;3-[2-[5-[(4-piperidin-1-ylphenyl)methyl]-1,3-thiazol-2-yl]-3,4-dihydro-1H-isoquinolin-7-yl]-1,3-oxazolidin-2-one;4-[2-[5-[(4-pyrazol-1-ylphenyl)methyl]-1,3-thiazol-2-yl]-3,4-dihydro-1H-isoquinolin-7-yl]morpholine;tris(3-[2-[5-[(4-pyrazol-1-ylphenyl)methyl]-1,3-thiazol-2-yl]-3,4-dihydro-1H-isoquinolin-7-yl]-1,3-oxazolidin-2-one);1-[2-[5-[(4-pyrazol-1-ylphenyl)methyl]-1,3-thiazol-2-yl]-3,4-dihydro-1H-isoquinolin-7-yl]pyrrolidin-2-one;4-[2-[5-[(4-pyrimidin-2-ylphenyl)methyl]-1,3-thiazol-2-yl]-3,4-dihydro-1H-isoquinolin-7-yl]morpholine;3-[2-[5-[(4-pyrimidin-2-ylphenyl)methyl]-1,3-thiazol-2-yl]-3,4-dihydro-1H-isoquinolin-7-yl]-1,3-oxazolidin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[7-(2,4-dimethylimidazol-1-yl)-3,4-dihydro-1H-isoquinolin-2-yl]-5-[(4-pyrazol-1-ylphenyl)methyl]-1,3-thiazole;1-methylidene-4-[4-[[2-(7-morpholin-4-yl-3,4-dihydro-1H-isoquinolin-2-yl)-1,3-thiazol-5-yl]methyl]phenyl]-1,4-thiazinane 1-oxide;3-[2-[5-[[4-(1-methylidene-1-oxo-1,4-thiazinan-4-yl)phenyl]methyl]-1,3-thiazol-2-yl]-3,4-dihydro-1H-isoquinolin-7-yl]-1,3-oxazolidin-2-one;3-[4-[[2-[7-(3-methyl-2-oxoimidazolidin-1-yl)-3,4-dihydro-1H-isoquinolin-2-yl]-1,3-thiazol-5-yl]methyl]phenyl]-1,3-oxazolidin-2-one;1-methyl-3-[2-[5-[(4-pyrazol-1-ylphenyl)methyl]-1,3-thiazol-2-yl]-3,4-dihydro-1H-isoquinolin-7-yl]imidazolidin-2-one;3-[2-[5-[(4-methylsulfonylphenyl)methyl]-1,3-thiazol-2-yl]-3,4-dihydro-1H-isoquinolin-7-yl]-1,3-oxazolidin-2-one;3-[2-[5-[(4-piperidin-1-ylphenyl)methyl]-1,3-thiazol-2-yl]-3,4-dihydro-1H-isoquinolin-7-yl]-1,3-oxazolidin-2-one;4-[2-[5-[(4-pyrazol-1-ylphenyl)methyl]-1,3-thiazol-2-yl]-3,4-dihydro-1H-isoquinolin-7-yl]morpholine;tris(3-[2-[5-[(4-pyrazol-1-ylphenyl)methyl]-1,3-thiazol-2-yl]-3,4-dihydro-1H-isoquinolin-7-yl]-1,3-oxazolidin-2-one);1-[2-[5-[(4-pyrazol-1-ylphenyl)methyl]-1,3-thiazol-2-yl]-3,4-dihydro-1H-isoquinolin-7-yl]pyrrolidin-2-one;4-[2-[5-[(4-pyrimidin-2-ylphenyl)methyl]-1,3-thiazol-2-yl]-3,4-dihydro-1H-isoquinolin-7-yl]morpholine;3-[2-[5-[(4-pyrimidin-2-ylphenyl)methyl]-1,3-thiazol-2-yl]-3,4-dihydro-1H-isoquinolin-7-yl]-1,3-oxazolidin-2-one?
The IUPAC name of 2-[7-(2,4-dimethylimidazol-1-yl)-3,4-dihydro-1H-isoquinolin-2-yl]-5-[(4-pyrazol-1-ylphenyl)methyl]-1,3-thiazole;1-methylidene-4-[4-[[2-(7-morpholin-4-yl-3,4-dihydro-1H-isoquinolin-2-yl)-1,3-thiazol-5-yl]methyl]phenyl]-1,4-thiazinane 1-oxide;3-[2-[5-[[4-(1-methylidene-1-oxo-1,4-thiazinan-4-yl)phenyl]methyl]-1,3-thiazol-2-yl]-3,4-dihydro-1H-isoquinolin-7-yl]-1,3-oxazolidin-2-one;3-[4-[[2-[7-(3-methyl-2-oxoimidazolidin-1-yl)-3,4-dihydro-1H-isoquinolin-2-yl]-1,3-thiazol-5-yl]methyl]phenyl]-1,3-oxazolidin-2-one;1-methyl-3-[2-[5-[(4-pyrazol-1-ylphenyl)methyl]-1,3-thiazol-2-yl]-3,4-dihydro-1H-isoquinolin-7-yl]imidazolidin-2-one;3-[2-[5-[(4-methylsulfonylphenyl)methyl]-1,3-thiazol-2-yl]-3,4-dihydro-1H-isoquinolin-7-yl]-1,3-oxazolidin-2-one;3-[2-[5-[(4-piperidin-1-ylphenyl)methyl]-1,3-thiazol-2-yl]-3,4-dihydro-1H-isoquinolin-7-yl]-1,3-oxazolidin-2-one;4-[2-[5-[(4-pyrazol-1-ylphenyl)methyl]-1,3-thiazol-2-yl]-3,4-dihydro-1H-isoquinolin-7-yl]morpholine;tris(3-[2-[5-[(4-pyrazol-1-ylphenyl)methyl]-1,3-thiazol-2-yl]-3,4-dihydro-1H-isoquinolin-7-yl]-1,3-oxazolidin-2-one);1-[2-[5-[(4-pyrazol-1-ylphenyl)methyl]-1,3-thiazol-2-yl]-3,4-dihydro-1H-isoquinolin-7-yl]pyrrolidin-2-one;4-[2-[5-[(4-pyrimidin-2-ylphenyl)methyl]-1,3-thiazol-2-yl]-3,4-dihydro-1H-isoquinolin-7-yl]morpholine;3-[2-[5-[(4-pyrimidin-2-ylphenyl)methyl]-1,3-thiazol-2-yl]-3,4-dihydro-1H-isoquinolin-7-yl]-1,3-oxazolidin-2-one (CID 161447077) is 2-[7-(2,4-dimethylimidazol-1-yl)-3,4-dihydro-1H-isoquinolin-2-yl]-5-[(4-pyrazol-1-ylphenyl)methyl]-1,3-thiazole;1-methylidene-4-[4-[[2-(7-morpholin-4-yl-3,4-dihydro-1H-isoquinolin-2-yl)-1,3-thiazol-5-yl]methyl]phenyl]-1,4-thiazinane 1-oxide;3-[2-[5-[[4-(1-methylidene-1-oxo-1,4-thiazinan-4-yl)phenyl]methyl]-1,3-thiazol-2-yl]-3,4-dihydro-1H-isoquinolin-7-yl]-1,3-oxazolidin-2-one;3-[4-[[2-[7-(3-methyl-2-oxoimidazolidin-1-yl)-3,4-dihydro-1H-isoquinolin-2-yl]-1,3-thiazol-5-yl]methyl]phenyl]-1,3-oxazolidin-2-one;1-methyl-3-[2-[5-[(4-pyrazol-1-ylphenyl)methyl]-1,3-thiazol-2-yl]-3,4-dihydro-1H-isoquinolin-7-yl]imidazolidin-2-one;3-[2-[5-[(4-methylsulfonylphenyl)methyl]-1,3-thiazol-2-yl]-3,4-dihydro-1H-isoquinolin-7-yl]-1,3-oxazolidin-2-one;3-[2-[5-[(4-piperidin-1-ylphenyl)methyl]-1,3-thiazol-2-yl]-3,4-dihydro-1H-isoquinolin-7-yl]-1,3-oxazolidin-2-one;4-[2-[5-[(4-pyrazol-1-ylphenyl)methyl]-1,3-thiazol-2-yl]-3,4-dihydro-1H-isoquinolin-7-yl]morpholine;tris(3-[2-[5-[(4-pyrazol-1-ylphenyl)methyl]-1,3-thiazol-2-yl]-3,4-dihydro-1H-isoquinolin-7-yl]-1,3-oxazolidin-2-one);1-[2-[5-[(4-pyrazol-1-ylphenyl)methyl]-1,3-thiazol-2-yl]-3,4-dihydro-1H-isoquinolin-7-yl]pyrrolidin-2-one;4-[2-[5-[(4-pyrimidin-2-ylphenyl)methyl]-1,3-thiazol-2-yl]-3,4-dihydro-1H-isoquinolin-7-yl]morpholine;3-[2-[5-[(4-pyrimidin-2-ylphenyl)methyl]-1,3-thiazol-2-yl]-3,4-dihydro-1H-isoquinolin-7-yl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 2-[7-(2,4-dimethylimidazol-1-yl)-3,4-dihydro-1H-isoquinolin-2-yl]-5-[(4-pyrazol-1-ylphenyl)methyl]-1,3-thiazole;1-methylidene-4-[4-[[2-(7-morpholin-4-yl-3,4-dihydro-1H-isoquinolin-2-yl)-1,3-thiazol-5-yl]methyl]phenyl]-1,4-thiazinane 1-oxide;3-[2-[5-[[4-(1-methylidene-1-oxo-1,4-thiazinan-4-yl)phenyl]methyl]-1,3-thiazol-2-yl]-3,4-dihydro-1H-isoquinolin-7-yl]-1,3-oxazolidin-2-one;3-[4-[[2-[7-(3-methyl-2-oxoimidazolidin-1-yl)-3,4-dihydro-1H-isoquinolin-2-yl]-1,3-thiazol-5-yl]methyl]phenyl]-1,3-oxazolidin-2-one;1-methyl-3-[2-[5-[(4-pyrazol-1-ylphenyl)methyl]-1,3-thiazol-2-yl]-3,4-dihydro-1H-isoquinolin-7-yl]imidazolidin-2-one;3-[2-[5-[(4-methylsulfonylphenyl)methyl]-1,3-thiazol-2-yl]-3,4-dihydro-1H-isoquinolin-7-yl]-1,3-oxazolidin-2-one;3-[2-[5-[(4-piperidin-1-ylphenyl)methyl]-1,3-thiazol-2-yl]-3,4-dihydro-1H-isoquinolin-7-yl]-1,3-oxazolidin-2-one;4-[2-[5-[(4-pyrazol-1-ylphenyl)methyl]-1,3-thiazol-2-yl]-3,4-dihydro-1H-isoquinolin-7-yl]morpholine;tris(3-[2-[5-[(4-pyrazol-1-ylphenyl)methyl]-1,3-thiazol-2-yl]-3,4-dihydro-1H-isoquinolin-7-yl]-1,3-oxazolidin-2-one);1-[2-[5-[(4-pyrazol-1-ylphenyl)methyl]-1,3-thiazol-2-yl]-3,4-dihydro-1H-isoquinolin-7-yl]pyrrolidin-2-one;4-[2-[5-[(4-pyrimidin-2-ylphenyl)methyl]-1,3-thiazol-2-yl]-3,4-dihydro-1H-isoquinolin-7-yl]morpholine;3-[2-[5-[(4-pyrimidin-2-ylphenyl)methyl]-1,3-thiazol-2-yl]-3,4-dihydro-1H-isoquinolin-7-yl]-1,3-oxazolidin-2-one?
The canonical SMILES for 2-[7-(2,4-dimethylimidazol-1-yl)-3,4-dihydro-1H-isoquinolin-2-yl]-5-[(4-pyrazol-1-ylphenyl)methyl]-1,3-thiazole;1-methylidene-4-[4-[[2-(7-morpholin-4-yl-3,4-dihydro-1H-isoquinolin-2-yl)-1,3-thiazol-5-yl]methyl]phenyl]-1,4-thiazinane 1-oxide;3-[2-[5-[[4-(1-methylidene-1-oxo-1,4-thiazinan-4-yl)phenyl]methyl]-1,3-thiazol-2-yl]-3,4-dihydro-1H-isoquinolin-7-yl]-1,3-oxazolidin-2-one;3-[4-[[2-[7-(3-methyl-2-oxoimidazolidin-1-yl)-3,4-dihydro-1H-isoquinolin-2-yl]-1,3-thiazol-5-yl]methyl]phenyl]-1,3-oxazolidin-2-one;1-methyl-3-[2-[5-[(4-pyrazol-1-ylphenyl)methyl]-1,3-thiazol-2-yl]-3,4-dihydro-1H-isoquinolin-7-yl]imidazolidin-2-one;3-[2-[5-[(4-methylsulfonylphenyl)methyl]-1,3-thiazol-2-yl]-3,4-dihydro-1H-isoquinolin-7-yl]-1,3-oxazolidin-2-one;3-[2-[5-[(4-piperidin-1-ylphenyl)methyl]-1,3-thiazol-2-yl]-3,4-dihydro-1H-isoquinolin-7-yl]-1,3-oxazolidin-2-one;4-[2-[5-[(4-pyrazol-1-ylphenyl)methyl]-1,3-thiazol-2-yl]-3,4-dihydro-1H-isoquinolin-7-yl]morpholine;tris(3-[2-[5-[(4-pyrazol-1-ylphenyl)methyl]-1,3-thiazol-2-yl]-3,4-dihydro-1H-isoquinolin-7-yl]-1,3-oxazolidin-2-one);1-[2-[5-[(4-pyrazol-1-ylphenyl)methyl]-1,3-thiazol-2-yl]-3,4-dihydro-1H-isoquinolin-7-yl]pyrrolidin-2-one;4-[2-[5-[(4-pyrimidin-2-ylphenyl)methyl]-1,3-thiazol-2-yl]-3,4-dihydro-1H-isoquinolin-7-yl]morpholine;3-[2-[5-[(4-pyrimidin-2-ylphenyl)methyl]-1,3-thiazol-2-yl]-3,4-dihydro-1H-isoquinolin-7-yl]-1,3-oxazolidin-2-one is C=S1(=O)CCN(c2ccc(Cc3cnc(N4CCc5ccc(N6CCOC6=O)cc5C4)s3)cc2)CC1.C=S1(=O)CCN(c2ccc(Cc3cnc(N4CCc5ccc(N6CCOCC6)cc5C4)s3)cc2)CC1.CN1CCN(c2ccc3c(c2)CN(c2ncc(Cc4ccc(-n5cccn5)cc4)s2)CC3)C1=O.CN1CCN(c2ccc3c(c2)CN(c2ncc(Cc4ccc(N5CCOC5=O)cc4)s2)CC3)C1=O.CS(=O)(=O)c1ccc(Cc2cnc(N3CCc4ccc(N5CCOC5=O)cc4C3)s2)cc1.Cc1cn(-c2ccc3c(c2)CN(c2ncc(Cc4ccc(-n5cccn5)cc4)s2)CC3)c(C)n1.O=C1CCCN1c1ccc2c(c1)CN(c1ncc(Cc3ccc(-n4cccn4)cc3)s1)CC2.O=C1OCCN1c1ccc2c(c1)CN(c1ncc(Cc3ccc(-c4ncccn4)cc3)s1)CC2.O=C1OCCN1c1ccc2c(c1)CN(c1ncc(Cc3ccc(-n4cccn4)cc3)s1)CC2.O=C1OCCN1c1ccc2c(c1)CN(c1ncc(Cc3ccc(-n4cccn4)cc3)s1)CC2.O=C1OCCN1c1ccc2c(c1)CN(c1ncc(Cc3ccc(-n4cccn4)cc3)s1)CC2.O=C1OCCN1c1ccc2c(c1)CN(c1ncc(Cc3ccc(N4CCCCC4)cc3)s1)CC2.c1cnc(-c2ccc(Cc3cnc(N4CCc5ccc(N6CCOCC6)cc5C4)s3)cc2)nc1.c1cnn(-c2ccc(Cc3cnc(N4CCc5ccc(N6CCOCC6)cc5C4)s3)cc2)c1.
What is the InChIKey of 2-[7-(2,4-dimethylimidazol-1-yl)-3,4-dihydro-1H-isoquinolin-2-yl]-5-[(4-pyrazol-1-ylphenyl)methyl]-1,3-thiazole;1-methylidene-4-[4-[[2-(7-morpholin-4-yl-3,4-dihydro-1H-isoquinolin-2-yl)-1,3-thiazol-5-yl]methyl]phenyl]-1,4-thiazinane 1-oxide;3-[2-[5-[[4-(1-methylidene-1-oxo-1,4-thiazinan-4-yl)phenyl]methyl]-1,3-thiazol-2-yl]-3,4-dihydro-1H-isoquinolin-7-yl]-1,3-oxazolidin-2-one;3-[4-[[2-[7-(3-methyl-2-oxoimidazolidin-1-yl)-3,4-dihydro-1H-isoquinolin-2-yl]-1,3-thiazol-5-yl]methyl]phenyl]-1,3-oxazolidin-2-one;1-methyl-3-[2-[5-[(4-pyrazol-1-ylphenyl)methyl]-1,3-thiazol-2-yl]-3,4-dihydro-1H-isoquinolin-7-yl]imidazolidin-2-one;3-[2-[5-[(4-methylsulfonylphenyl)methyl]-1,3-thiazol-2-yl]-3,4-dihydro-1H-isoquinolin-7-yl]-1,3-oxazolidin-2-one;3-[2-[5-[(4-piperidin-1-ylphenyl)methyl]-1,3-thiazol-2-yl]-3,4-dihydro-1H-isoquinolin-7-yl]-1,3-oxazolidin-2-one;4-[2-[5-[(4-pyrazol-1-ylphenyl)methyl]-1,3-thiazol-2-yl]-3,4-dihydro-1H-isoquinolin-7-yl]morpholine;tris(3-[2-[5-[(4-pyrazol-1-ylphenyl)methyl]-1,3-thiazol-2-yl]-3,4-dihydro-1H-isoquinolin-7-yl]-1,3-oxazolidin-2-one);1-[2-[5-[(4-pyrazol-1-ylphenyl)methyl]-1,3-thiazol-2-yl]-3,4-dihydro-1H-isoquinolin-7-yl]pyrrolidin-2-one;4-[2-[5-[(4-pyrimidin-2-ylphenyl)methyl]-1,3-thiazol-2-yl]-3,4-dihydro-1H-isoquinolin-7-yl]morpholine;3-[2-[5-[(4-pyrimidin-2-ylphenyl)methyl]-1,3-thiazol-2-yl]-3,4-dihydro-1H-isoquinolin-7-yl]-1,3-oxazolidin-2-one?
The InChIKey is WAARDPRCBSVTRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N4O2S2.C27H26N6S.C27H27N5OS.C27H30N4O3S2.C27H30N4O2S.C26H26N6OS.C26H27N5O3S.C26H23N5O2S.C26H27N5OS.C26H25N5OS.3C25H23N5O2S.C23H23N3O4S2/c1-36(33)16-12-31(13-17-36)25-5-2-22(3-6-25)18-27-20-29-28(35-27)32-9-8-23-4-7-26(19-24(23)21-32)30-10-14-34-15-11-30;1-19-17-32(20(2)30-19)25-9-6-22-10-13-31(18-23(22)15-25)27-28-16-26(34-27)14-21-4-7-24(8-5-21)33-12-3-11-29-33;1-9-28-26(29-10-1)22-4-2-20(3-5-22)16-25-18-30-27(34-25)32-11-8-21-6-7-24(17-23(21)19-32)31-12-14-33-15-13-31;1-36(33)14-11-29(12-15-36)23-5-2-20(3-6-23)16-25-18-28-26(35-25)30-9-8-21-4-7-24(17-22(21)19-30)31-10-13-34-27(31)32;32-27-31(14-15-33-27)24-9-6-21-10-13-30(19-22(21)17-24)26-28-18-25(34-26)16-20-4-7-23(8-5-20)29-11-2-1-3-12-29;1-29-13-14-31(26(29)33)23-8-5-20-9-12-30(18-21(20)16-23)25-27-17-24(34-25)15-19-3-6-22(7-4-19)32-11-2-10-28-32;1-28-10-11-30(25(28)32)22-7-4-19-8-9-29(17-20(19)15-22)24-27-16-23(35-24)14-18-2-5-21(6-3-18)31-12-13-34-26(31)33;32-26-31(12-13-33-26)22-7-6-19-8-11-30(17-21(19)15-22)25-29-16-23(34-25)14-18-2-4-20(5-3-18)24-27-9-1-10-28-24;1-9-28-31(10-1)23-5-2-20(3-6-23)16-25-18-27-26(33-25)30-11-8-21-4-7-24(17-22(21)19-30)29-12-14-32-15-13-29;32-25-3-1-12-30(25)23-9-6-20-10-14-29(18-21(20)16-23)26-27-17-24(33-26)15-19-4-7-22(8-5-19)31-13-2-11-28-31;3*31-25-29(12-13-32-25)22-7-4-19-8-11-28(17-20(19)15-22)24-26-16-23(33-24)14-18-2-5-21(6-3-18)30-10-1-9-27-30;1-32(28,29)21-6-2-16(3-7-21)12-20-14-24-22(31-20)25-9-8-17-4-5-19(13-18(17)15-25)26-10-11-30-23(26)27/h2-7,19-20H,1,8-18,21H2;3-9,11-12,15-17H,10,13-14,18H2,1-2H3;1-7,9-10,17-18H,8,11-16,19H2;2-7,17-18H,1,8-16,19H2;4-9,17-18H,1-3,10-16,19H2;2-8,10-11,16-17H,9,12-15,18H2,1H3;2-7,15-16H,8-14,17H2,1H3;1-7,9-10,15-16H,8,11-14,17H2;1-7,9-10,17-18H,8,11-16,19H2;2,4-9,11,13,16-17H,1,3,10,12,14-15,18H2;3*1-7,9-10,15-16H,8,11-14,17H2;2-7,13-14H,8-12,15H2,1H3.
What are the key properties of 2-[7-(2,4-dimethylimidazol-1-yl)-3,4-dihydro-1H-isoquinolin-2-yl]-5-[(4-pyrazol-1-ylphenyl)methyl]-1,3-thiazole;1-methylidene-4-[4-[[2-(7-morpholin-4-yl-3,4-dihydro-1H-isoquinolin-2-yl)-1,3-thiazol-5-yl]methyl]phenyl]-1,4-thiazinane 1-oxide;3-[2-[5-[[4-(1-methylidene-1-oxo-1,4-thiazinan-4-yl)phenyl]methyl]-1,3-thiazol-2-yl]-3,4-dihydro-1H-isoquinolin-7-yl]-1,3-oxazolidin-2-one;3-[4-[[2-[7-(3-methyl-2-oxoimidazolidin-1-yl)-3,4-dihydro-1H-isoquinolin-2-yl]-1,3-thiazol-5-yl]methyl]phenyl]-1,3-oxazolidin-2-one;1-methyl-3-[2-[5-[(4-pyrazol-1-ylphenyl)methyl]-1,3-thiazol-2-yl]-3,4-dihydro-1H-isoquinolin-7-yl]imidazolidin-2-one;3-[2-[5-[(4-methylsulfonylphenyl)methyl]-1,3-thiazol-2-yl]-3,4-dihydro-1H-isoquinolin-7-yl]-1,3-oxazolidin-2-one;3-[2-[5-[(4-piperidin-1-ylphenyl)methyl]-1,3-thiazol-2-yl]-3,4-dihydro-1H-isoquinolin-7-yl]-1,3-oxazolidin-2-one;4-[2-[5-[(4-pyrazol-1-ylphenyl)methyl]-1,3-thiazol-2-yl]-3,4-dihydro-1H-isoquinolin-7-yl]morpholine;tris(3-[2-[5-[(4-pyrazol-1-ylphenyl)methyl]-1,3-thiazol-2-yl]-3,4-dihydro-1H-isoquinolin-7-yl]-1,3-oxazolidin-2-one);1-[2-[5-[(4-pyrazol-1-ylphenyl)methyl]-1,3-thiazol-2-yl]-3,4-dihydro-1H-isoquinolin-7-yl]pyrrolidin-2-one;4-[2-[5-[(4-pyrimidin-2-ylphenyl)methyl]-1,3-thiazol-2-yl]-3,4-dihydro-1H-isoquinolin-7-yl]morpholine;3-[2-[5-[(4-pyrimidin-2-ylphenyl)methyl]-1,3-thiazol-2-yl]-3,4-dihydro-1H-isoquinolin-7-yl]-1,3-oxazolidin-2-one?
2-[7-(2,4-dimethylimidazol-1-yl)-3,4-dihydro-1H-isoquinolin-2-yl]-5-[(4-pyrazol-1-ylphenyl)methyl]-1,3-thiazole;1-methylidene-4-[4-[[2-(7-morpholin-4-yl-3,4-dihydro-1H-isoquinolin-2-yl)-1,3-thiazol-5-yl]methyl]phenyl]-1,4-thiazinane 1-oxide;3-[2-[5-[[4-(1-methylidene-1-oxo-1,4-thiazinan-4-yl)phenyl]methyl]-1,3-thiazol-2-yl]-3,4-dihydro-1H-isoquinolin-7-yl]-1,3-oxazolidin-2-one;3-[4-[[2-[7-(3-methyl-2-oxoimidazolidin-1-yl)-3,4-dihydro-1H-isoquinolin-2-yl]-1,3-thiazol-5-yl]methyl]phenyl]-1,3-oxazolidin-2-one;1-methyl-3-[2-[5-[(4-pyrazol-1-ylphenyl)methyl]-1,3-thiazol-2-yl]-3,4-dihydro-1H-isoquinolin-7-yl]imidazolidin-2-one;3-[2-[5-[(4-methylsulfonylphenyl)methyl]-1,3-thiazol-2-yl]-3,4-dihydro-1H-isoquinolin-7-yl]-1,3-oxazolidin-2-one;3-[2-[5-[(4-piperidin-1-ylphenyl)methyl]-1,3-thiazol-2-yl]-3,4-dihydro-1H-isoquinolin-7-yl]-1,3-oxazolidin-2-one;4-[2-[5-[(4-pyrazol-1-ylphenyl)methyl]-1,3-thiazol-2-yl]-3,4-dihydro-1H-isoquinolin-7-yl]morpholine;tris(3-[2-[5-[(4-pyrazol-1-ylphenyl)methyl]-1,3-thiazol-2-yl]-3,4-dihydro-1H-isoquinolin-7-yl]-1,3-oxazolidin-2-one);1-[2-[5-[(4-pyrazol-1-ylphenyl)methyl]-1,3-thiazol-2-yl]-3,4-dihydro-1H-isoquinolin-7-yl]pyrrolidin-2-one;4-[2-[5-[(4-pyrimidin-2-ylphenyl)methyl]-1,3-thiazol-2-yl]-3,4-dihydro-1H-isoquinolin-7-yl]morpholine;3-[2-[5-[(4-pyrimidin-2-ylphenyl)methyl]-1,3-thiazol-2-yl]-3,4-dihydro-1H-isoquinolin-7-yl]-1,3-oxazolidin-2-one has a molecular weight of 6641.52 g/mol, XLogP of 61.67, 70 rotatable bonds, 0 hydrogen bond donors, and 94 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-(2,4-dimethylimidazol-1-yl)-3,4-dihydro-1H-isoquinolin-2-yl]-5-[(4-pyrazol-1-ylphenyl)methyl]-1,3-thiazole;1-methylidene-4-[4-[[2-(7-morpholin-4-yl-3,4-dihydro-1H-isoquinolin-2-yl)-1,3-thiazol-5-yl]methyl]phenyl]-1,4-thiazinane 1-oxide;3-[2-[5-[[4-(1-methylidene-1-oxo-1,4-thiazinan-4-yl)phenyl]methyl]-1,3-thiazol-2-yl]-3,4-dihydro-1H-isoquinolin-7-yl]-1,3-oxazolidin-2-one;3-[4-[[2-[7-(3-methyl-2-oxoimidazolidin-1-yl)-3,4-dihydro-1H-isoquinolin-2-yl]-1,3-thiazol-5-yl]methyl]phenyl]-1,3-oxazolidin-2-one;1-methyl-3-[2-[5-[(4-pyrazol-1-ylphenyl)methyl]-1,3-thiazol-2-yl]-3,4-dihydro-1H-isoquinolin-7-yl]imidazolidin-2-one;3-[2-[5-[(4-methylsulfonylphenyl)methyl]-1,3-thiazol-2-yl]-3,4-dihydro-1H-isoquinolin-7-yl]-1,3-oxazolidin-2-one;3-[2-[5-[(4-piperidin-1-ylphenyl)methyl]-1,3-thiazol-2-yl]-3,4-dihydro-1H-isoquinolin-7-yl]-1,3-oxazolidin-2-one;4-[2-[5-[(4-pyrazol-1-ylphenyl)methyl]-1,3-thiazol-2-yl]-3,4-dihydro-1H-isoquinolin-7-yl]morpholine;tris(3-[2-[5-[(4-pyrazol-1-ylphenyl)methyl]-1,3-thiazol-2-yl]-3,4-dihydro-1H-isoquinolin-7-yl]-1,3-oxazolidin-2-one);1-[2-[5-[(4-pyrazol-1-ylphenyl)methyl]-1,3-thiazol-2-yl]-3,4-dihydro-1H-isoquinolin-7-yl]pyrrolidin-2-one;4-[2-[5-[(4-pyrimidin-2-ylphenyl)methyl]-1,3-thiazol-2-yl]-3,4-dihydro-1H-isoquinolin-7-yl]morpholine;3-[2-[5-[(4-pyrimidin-2-ylphenyl)methyl]-1,3-thiazol-2-yl]-3,4-dihydro-1H-isoquinolin-7-yl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 161447077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).