(4S)-5-(3,4-dihydro-1H-isoquinolin-2-yl)-4-hydroxy-1-(1-methylindol-3-yl)pentan-1-one;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-1H-benzimidazole-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-1,3-benzodioxole-5-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-1-benzothiophene-3-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2,3-dihydro-1-benzofuran-5-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-1H-indazole-3-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]quinoxaline-2-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide

C190H212N24O23S — CID 159351827

IUPAC(4S)-5-(3,4-dihydro-1H-isoquinolin-2-yl)-4-hydroxy-1-(1-methylindol-3-yl)pentan-1-one;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-1H-benzimidazole-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-1,3-benzodioxole-5-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-1-benzothiophene-3-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2,3-dihydro-1-benzofuran-5-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-1H-indazole-3-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]quinoxaline-2-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
SMILESCn1cc(C(=O)CC[C@H](O)CN2CCc3ccccc3C2)c2ccccc21.O=C(NC[C@H](O)CN1CCc2ccccc2C1)c1ccc2c(c1)CCCC2.O=C(NC[C@H](O)CN1CCc2ccccc2C1)c1ccc2c(c1)CCO2.O=C(NC[C@H](O)CN1CCc2ccccc2C1)c1ccc2c(c1)OCO2.O=C(NC[C@H](O)CN1CCc2ccccc2C1)c1cccc2[nH]cnc12.O=C(NC[C@H](O)CN1CCc2ccccc2C1)c1cccc2c1OCCO2.O=C(NC[C@H](O)CN1CCc2ccccc2C1)c1cnc2ccccc2n1.O=C(NC[C@H](O)CN1CCc2ccccc2C1)c1csc2ccccc12.O=C(NC[C@H](O)CN1CCc2ccccc2C1)c1n[nH]c2ccccc12
InChIInChI=1S/C23H26N2O2.C23H28N2O2.C21H22N4O2.C21H24N2O4.C21H24N2O3.C21H22N2O2S.2C20H22N4O2.C20H22N2O4/c1-24-16-21(20-8-4-5-9-22(20)24)23(27)11-10-19(26)15-25-13-12-17-6-2-3-7-18(17)14-25;26-22(16-25-12-11-18-6-2-4-8-21(18)15-25)14-24-23(27)20-10-9-17-5-1-3-7-19(17)13-20;26-17(14-25-10-9-15-5-1-2-6-16(15)13-25)11-23-21(27)20-12-22-18-7-3-4-8-19(18)24-20;24-17(14-23-9-8-15-4-1-2-5-16(15)13-23)12-22-21(25)18-6-3-7-19-20(18)27-11-10-26-19;24-19(14-23-9-7-15-3-1-2-4-18(15)13-23)12-22-21(25)17-5-6-20-16(11-17)8-10-26-20;24-17(13-23-10-9-15-5-1-2-6-16(15)12-23)11-22-21(25)19-14-26-20-8-4-3-7-18(19)20;25-16(13-24-10-9-14-5-1-2-6-15(14)12-24)11-21-20(26)19-17-7-3-4-8-18(17)22-23-19;25-16(12-24-9-8-14-4-1-2-5-15(14)11-24)10-21-20(26)17-6-3-7-18-19(17)23-13-22-18;23-17(12-22-8-7-14-3-1-2-4-16(14)11-22)10-21-20(24)15-5-6-18-19(9-15)26-13-25-18/h2-9,16,19,26H,10-15H2,1H3;2,4,6,8-10,13,22,26H,1,3,5,7,11-12,14-16H2,(H,24,27);1-8,12,17,26H,9-11,13-14H2,(H,23,27);1-7,17,24H,8-14H2,(H,22,25);1-6,11,19,24H,7-10,12-14H2,(H,22,25);1-8,14,17,24H,9-13H2,(H,22,25);1-8,16,25H,9-13H2,(H,21,26)(H,22,23);1-7,13,16,25H,8-12H2,(H,21,26)(H,22,23);1-6,9,17,23H,7-8,10-13H2,(H,21,24)/t19-;22-;2*17-;19-;17-;2*16-;17-/m000000000/s1
InChIKeyLHKNMWNDTWKVTO-FPCPSMLJSA-N
MW3232.00 g/mol
LogP19.47
Rot. Bonds46

About (4S)-5-(3,4-dihydro-1H-isoquinolin-2-yl)-4-hydroxy-1-(1-methylindol-3-yl)pentan-1-one;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-1H-benzimidazole-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-1,3-benzodioxole-5-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-1-benzothiophene-3-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2,3-dihydro-1-benzofuran-5-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-1H-indazole-3-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]quinoxaline-2-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide

(4S)-5-(3,4-dihydro-1H-isoquinolin-2-yl)-4-hydroxy-1-(1-methylindol-3-yl)pentan-1-one;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-1H-benzimidazole-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-1,3-benzodioxole-5-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-1-benzothiophene-3-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2,3-dihydro-1-benzofuran-5-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-1H-indazole-3-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]quinoxaline-2-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide (PubChem CID 159351827) has the molecular formula C190H212N24O23S and a molecular weight of 3232.00 g/mol. Its IUPAC name is (4S)-5-(3,4-dihydro-1H-isoquinolin-2-yl)-4-hydroxy-1-(1-methylindol-3-yl)pentan-1-one;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-1H-benzimidazole-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-1,3-benzodioxole-5-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-1-benzothiophene-3-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2,3-dihydro-1-benzofuran-5-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-1H-indazole-3-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]quinoxaline-2-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide.

Molecular Properties

Compound Name(4S)-5-(3,4-dihydro-1H-isoquinolin-2-yl)-4-hydroxy-1-(1-methylindol-3-yl)pentan-1-one;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-1H-benzimidazole-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-1,3-benzodioxole-5-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-1-benzothiophene-3-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2,3-dihydro-1-benzofuran-5-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-1H-indazole-3-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]quinoxaline-2-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
PubChem CID159351827
Molecular FormulaC190H212N24O23S
Molecular Weight3232.00 g/mol
Exact Mass3229.59
IUPAC Name(4S)-5-(3,4-dihydro-1H-isoquinolin-2-yl)-4-hydroxy-1-(1-methylindol-3-yl)pentan-1-one;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-1H-benzimidazole-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-1,3-benzodioxole-5-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-1-benzothiophene-3-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2,3-dihydro-1-benzofuran-5-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-1H-indazole-3-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]quinoxaline-2-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
SMILESCn1cc(C(=O)CC[C@H](O)CN2CCc3ccccc3C2)c2ccccc21.O=C(NC[C@H](O)CN1CCc2ccccc2C1)c1ccc2c(c1)CCCC2.O=C(NC[C@H](O)CN1CCc2ccccc2C1)c1ccc2c(c1)CCO2.O=C(NC[C@H](O)CN1CCc2ccccc2C1)c1ccc2c(c1)OCO2.O=C(NC[C@H](O)CN1CCc2ccccc2C1)c1cccc2[nH]cnc12.O=C(NC[C@H](O)CN1CCc2ccccc2C1)c1cccc2c1OCCO2.O=C(NC[C@H](O)CN1CCc2ccccc2C1)c1cnc2ccccc2n1.O=C(NC[C@H](O)CN1CCc2ccccc2C1)c1csc2ccccc12.O=C(NC[C@H](O)CN1CCc2ccccc2C1)c1n[nH]c2ccccc12
InChIInChI=1S/C23H26N2O2.C23H28N2O2.C21H22N4O2.C21H24N2O4.C21H24N2O3.C21H22N2O2S.2C20H22N4O2.C20H22N2O4/c1-24-16-21(20-8-4-5-9-22(20)24)23(27)11-10-19(26)15-25-13-12-17-6-2-3-7-18(17)14-25;26-22(16-25-12-11-18-6-2-4-8-21(18)15-25)14-24-23(27)20-10-9-17-5-1-3-7-19(17)13-20;26-17(14-25-10-9-15-5-1-2-6-16(15)13-25)11-23-21(27)20-12-22-18-7-3-4-8-19(18)24-20;24-17(14-23-9-8-15-4-1-2-5-16(15)13-23)12-22-21(25)18-6-3-7-19-20(18)27-11-10-26-19;24-19(14-23-9-7-15-3-1-2-4-18(15)13-23)12-22-21(25)17-5-6-20-16(11-17)8-10-26-20;24-17(13-23-10-9-15-5-1-2-6-16(15)12-23)11-22-21(25)19-14-26-20-8-4-3-7-18(19)20;25-16(13-24-10-9-14-5-1-2-6-15(14)12-24)11-21-20(26)19-17-7-3-4-8-18(17)22-23-19;25-16(12-24-9-8-14-4-1-2-5-15(14)11-24)10-21-20(26)17-6-3-7-18-19(17)23-13-22-18;23-17(12-22-8-7-14-3-1-2-4-16(14)11-22)10-21-20(24)15-5-6-18-19(9-15)26-13-25-18/h2-9,16,19,26H,10-15H2,1H3;2,4,6,8-10,13,22,26H,1,3,5,7,11-12,14-16H2,(H,24,27);1-8,12,17,26H,9-11,13-14H2,(H,23,27);1-7,17,24H,8-14H2,(H,22,25);1-6,11,19,24H,7-10,12-14H2,(H,22,25);1-8,14,17,24H,9-13H2,(H,22,25);1-8,16,25H,9-13H2,(H,21,26)(H,22,23);1-7,13,16,25H,8-12H2,(H,21,26)(H,22,23);1-6,9,17,23H,7-8,10-13H2,(H,21,24)/t19-;22-;2*17-;19-;17-;2*16-;17-/m000000000/s1
InChIKeyLHKNMWNDTWKVTO-FPCPSMLJSA-N
XLogP19.47
TPSA595.32 Ų
H-Bond Donors19
H-Bond Acceptors38
Rotatable Bonds46
Heavy Atoms238
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003232.00
LogP ≤ 519.47
H-Bond Donors ≤ 519
H-Bond Acceptors ≤ 1038

Analyze (4S)-5-(3,4-dihydro-1H-isoquinolin-2-yl)-4-hydroxy-1-(1-methylindol-3-yl)pentan-1-one;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-1H-benzimidazole-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-1,3-benzodioxole-5-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-1-benzothiophene-3-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2,3-dihydro-1-benzofuran-5-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-1H-indazole-3-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]quinoxaline-2-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

4-tert-butyl-1H-benzimidazole;3-tert-butyl-1-benzothiophene;5-tert-butyl-1,3-benzoxazol-2-amine;4-tert-butyl-2,2-difluoro-1,3-benzodioxole;5-tert-butyl-2,3-dihydro-1,4-benzodioxine;4-tert-butyl-1,3-dihydroindol-2-one;5-tert-butyl-3,4-dihydro-1H-quinolin-2-one;6-tert-butyl-1H-indazole;7-tert-butyl-1H-indazole;3-tert-butyl-1-methylindazole;8-tert-butyl-1H-quinolin-2-one;5-tert-butyl-1,2,3,4-tetrahydroquinoline
CID 157243093
4-tert-butyl-1H-benzimidazole;3-tert-butyl-1-benzothiophene;5-tert-butyl-1,3-benzoxazol-2-amine;4-tert-butyl-2,2-difluoro-1,3-benzodioxole;5-tert-butyl-2,3-dihydro-1,4-benzodioxine;4-tert-butyl-1,3-dihydroindol-2-one;5-tert-butyl-3,4-dihydro-1H-quinolin-2-one;5-tert-butyl-1H-indazole;6-tert-butyl-1H-indazole;7-tert-butyl-1H-indazole;4-tert-butyl-5-methoxy-1H-indazole;4-tert-butyl-3-methyl-1,2-benzoxazole;4-tert-butyl-5-methyl-1H-indazole;8-tert-butylquinazoline;4-tert-butylquinoline
CID 157427896
4-tert-butyl-1H-benzimidazole;3-tert-butyl-1-benzothiophene;5-tert-butyl-1,3-benzoxazol-2-amine;4-tert-butyl-2,2-difluoro-1,3-benzodioxole;5-tert-butyl-2,3-dihydro-1,4-benzodioxine;4-tert-butyl-1,3-dihydroindol-2-one;5-tert-butyl-3,4-dihydro-1H-quinolin-2-one;7-tert-butyl-3,6-dimethyl-2H-indazole;7-tert-butyl-5,6-dimethyl-1H-indazole;7-tert-butyl-6-fluoro-3-methyl-2H-indazole;3-tert-butyl-1H-indole;6-tert-butyl-1H-isoindole;1-tert-butylisoquinolin-3-amine;1-tert-butyl-2H-isoquinolin-3-one;7-tert-butyl-6-methyl-1H-indazole;6-tert-butyl-3-methyl-1H-isoindole;5-tert-butyl-1,2,3,4-tetrahydroquinoline
CID 157437972
4-tert-butyl-1H-benzimidazole;3-tert-butyl-1-benzothiophene;4-tert-butyl-2,2-difluoro-1,3-benzodioxole;5-tert-butyl-2,3-dihydro-1,4-benzodioxine;4-tert-butyl-1,3-dihydroindol-2-one;5-tert-butyl-3,4-dihydro-1H-quinolin-2-one;7-tert-butyl-1H-indazole;6-tert-butyl-1H-isoindole;5-tert-butyl-2-methyl-1,3-benzoxazole;3-tert-butyl-1-methylindazole;8-tert-butyl-1H-quinolin-2-one;5-tert-butyl-1,2,3,4-tetrahydroquinoline
CID 158641726
4-tert-butyl-1H-benzimidazole;3-tert-butyl-1-benzothiophene;5-tert-butyl-1,3-benzoxazol-2-amine;4-tert-butyl-2,2-difluoro-1,3-benzodioxole;5-tert-butyl-2,3-dihydro-1,4-benzodioxine;4-tert-butyl-1,3-dihydroindol-2-one;5-tert-butyl-3,4-dihydro-1H-quinolin-2-one;6-tert-butyl-1H-indazole;7-tert-butyl-1H-indazole;bis(3-tert-butyl-1-methylindazole);tris(5-tert-butyl-1,2,3,4-tetrahydroquinoline)
CID 158766104
3-[[4-(1,3-benzodioxol-5-yl)-5H-pyrrolo[3,2-d]pyrimidin-2-yl]methyl]-4-methyl-N-[2-methyl-5-(trifluoromethyl)phenyl]benzamide;3-[[4-(1-benzofuran-2-yl)-5H-pyrrolo[3,2-d]pyrimidin-2-yl]methyl]-4-methyl-N-[2-methyl-5-(trifluoromethyl)phenyl]benzamide;3-[[4-(1-benzothiophen-2-yl)-5H-pyrrolo[3,2-d]pyrimidin-2-yl]methyl]-4-methyl-N-[2-methyl-5-(trifluoromethyl)phenyl]benzamide;4-methyl-N-[2-methyl-5-(trifluoromethyl)phenyl]-3-[(4-thiophen-2-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)methyl]benzamide
CID 159461289
4-tert-butyl-1H-benzimidazole;3-tert-butyl-1-benzothiophene;4-tert-butyl-2,2-difluoro-1,3-benzodioxole;5-tert-butyl-2,3-dihydro-1,4-benzodioxine;4-tert-butyl-1,3-dihydroindol-2-one;5-tert-butyl-3,4-dihydro-1H-quinolin-2-one;7-tert-butyl-1H-indazole;6-tert-butyl-1H-isoindole;5-tert-butyl-2-methyl-1,3-benzoxazole;8-tert-butyl-2-methylidene-1H-quinoline;3-tert-butyl-1-methylindazole;5-tert-butyl-1,2,3,4-tetrahydroquinoline
CID 161505078
4-tert-butyl-1H-benzimidazole;3-tert-butyl-1-benzothiophene;5-tert-butyl-1,3-benzoxazol-2-amine;4-tert-butyl-2,2-difluoro-1,3-benzodioxole;5-tert-butyl-2,3-dihydro-1,4-benzodioxine;4-tert-butyl-1,3-dihydroindol-2-one;5-tert-butyl-3,4-dihydro-1H-quinolin-2-one;7-tert-butyl-6-fluoro-3-methyl-2H-indazole;3-tert-butyl-1H-indole;1-tert-butylisoquinolin-3-amine;1-tert-butyl-2H-isoquinolin-3-one;6-tert-butyl-3-methyl-1H-isoindole;5-tert-butyl-1,2,3,4-tetrahydroquinoline
CID 161514862
7-acetamido-N-[[2-(2-amino-3,4-dioxocyclobuten-1-yl)-3,4-dihydro-1H-isoquinolin-7-yl]methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;7-acetamido-N-(1,3-benzodioxol-5-ylmethyl)-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;7-acetamido-N-(1-benzofuran-5-ylmethyl)-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;7-acetamido-N-[(2,2-difluoro-1,3-benzodioxol-5-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;7-acetamido-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;7-acetamido-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;7-acetamido-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;7-(1-benzothiophene-2-carbonylamino)-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide
CID 161931983
4-tert-butyl-1H-benzimidazole;3-tert-butyl-1-benzothiophene;4-tert-butyl-2,2-difluoro-1,3-benzodioxole;5-tert-butyl-2,3-dihydro-1,4-benzodioxine;4-tert-butyl-1,3-dihydroindol-2-one;5-tert-butyl-3,4-dihydro-1H-quinolin-2-one;7-tert-butyl-6-fluoro-3-methyl-2H-indazole;3-tert-butyl-1H-indole;6-tert-butyl-1H-isoindole;1-tert-butylisoquinolin-3-amine;1-tert-butyl-2H-isoquinolin-3-one;5-tert-butyl-2-methyl-1,3-benzoxazole;6-tert-butyl-3-methyl-1H-isoindole;5-tert-butyl-1,2,3,4-tetrahydroquinoline;methane
CID 167587651
4-tert-butyl-1H-benzimidazole;3-tert-butyl-1-benzothiophene;4-tert-butyl-2,2-difluoro-1,3-benzodioxole;5-tert-butyl-2,3-dihydro-1,4-benzodioxine;5-tert-butyl-2,3-dihydro-1,3-benzoxazol-2-amine;4-tert-butyl-1,3-dihydroindol-2-one;5-tert-butyl-3,4-dihydro-1H-quinolin-2-one;5-tert-butyl-1H-indazole;6-tert-butyl-1H-indazole;7-tert-butyl-1H-indazole;4-tert-butyl-5-methoxy-1H-indazole;4-tert-butyl-3-methyl-1,2-benzoxazole;4-tert-butyl-5-methyl-1H-indazole;8-tert-butylquinazoline;4-tert-butylquinoline;5-tert-butyl-1,2,3,4-tetrahydroquinoline
CID 167618027
2-[2-[2-[2-[3-[2-[3-[2-[3-[2-[5-(9H-carbazol-1-yl)-6-dibenzofuran-1-yl-7-pyridin-2-yl-3H-benzimidazol-4-yl]-1-benzofuran-3-yl]-2H-isoindol-1-yl]quinazolin-4-yl]quinoxalin-2-yl]pyrimidin-4-yl]-1H-indazol-4-yl]furan-3-yl]thiophen-3-yl]-1H-pyrrol-3-yl]-1,3-oxazole
CID 91005795

Frequently Asked Questions

What is the IUPAC name of (4S)-5-(3,4-dihydro-1H-isoquinolin-2-yl)-4-hydroxy-1-(1-methylindol-3-yl)pentan-1-one;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-1H-benzimidazole-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-1,3-benzodioxole-5-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-1-benzothiophene-3-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2,3-dihydro-1-benzofuran-5-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-1H-indazole-3-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]quinoxaline-2-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
The IUPAC name of (4S)-5-(3,4-dihydro-1H-isoquinolin-2-yl)-4-hydroxy-1-(1-methylindol-3-yl)pentan-1-one;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-1H-benzimidazole-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-1,3-benzodioxole-5-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-1-benzothiophene-3-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2,3-dihydro-1-benzofuran-5-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-1H-indazole-3-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]quinoxaline-2-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide (CID 159351827) is (4S)-5-(3,4-dihydro-1H-isoquinolin-2-yl)-4-hydroxy-1-(1-methylindol-3-yl)pentan-1-one;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-1H-benzimidazole-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-1,3-benzodioxole-5-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-1-benzothiophene-3-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2,3-dihydro-1-benzofuran-5-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-1H-indazole-3-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]quinoxaline-2-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide.
What is the SMILES notation for (4S)-5-(3,4-dihydro-1H-isoquinolin-2-yl)-4-hydroxy-1-(1-methylindol-3-yl)pentan-1-one;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-1H-benzimidazole-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-1,3-benzodioxole-5-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-1-benzothiophene-3-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2,3-dihydro-1-benzofuran-5-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-1H-indazole-3-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]quinoxaline-2-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
The canonical SMILES for (4S)-5-(3,4-dihydro-1H-isoquinolin-2-yl)-4-hydroxy-1-(1-methylindol-3-yl)pentan-1-one;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-1H-benzimidazole-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-1,3-benzodioxole-5-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-1-benzothiophene-3-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2,3-dihydro-1-benzofuran-5-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-1H-indazole-3-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]quinoxaline-2-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide is Cn1cc(C(=O)CC[C@H](O)CN2CCc3ccccc3C2)c2ccccc21.O=C(NC[C@H](O)CN1CCc2ccccc2C1)c1ccc2c(c1)CCCC2.O=C(NC[C@H](O)CN1CCc2ccccc2C1)c1ccc2c(c1)CCO2.O=C(NC[C@H](O)CN1CCc2ccccc2C1)c1ccc2c(c1)OCO2.O=C(NC[C@H](O)CN1CCc2ccccc2C1)c1cccc2[nH]cnc12.O=C(NC[C@H](O)CN1CCc2ccccc2C1)c1cccc2c1OCCO2.O=C(NC[C@H](O)CN1CCc2ccccc2C1)c1cnc2ccccc2n1.O=C(NC[C@H](O)CN1CCc2ccccc2C1)c1csc2ccccc12.O=C(NC[C@H](O)CN1CCc2ccccc2C1)c1n[nH]c2ccccc12.
What is the InChIKey of (4S)-5-(3,4-dihydro-1H-isoquinolin-2-yl)-4-hydroxy-1-(1-methylindol-3-yl)pentan-1-one;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-1H-benzimidazole-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-1,3-benzodioxole-5-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-1-benzothiophene-3-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2,3-dihydro-1-benzofuran-5-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-1H-indazole-3-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]quinoxaline-2-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
The InChIKey is LHKNMWNDTWKVTO-FPCPSMLJSA-N. The full InChI is InChI=1S/C23H26N2O2.C23H28N2O2.C21H22N4O2.C21H24N2O4.C21H24N2O3.C21H22N2O2S.2C20H22N4O2.C20H22N2O4/c1-24-16-21(20-8-4-5-9-22(20)24)23(27)11-10-19(26)15-25-13-12-17-6-2-3-7-18(17)14-25;26-22(16-25-12-11-18-6-2-4-8-21(18)15-25)14-24-23(27)20-10-9-17-5-1-3-7-19(17)13-20;26-17(14-25-10-9-15-5-1-2-6-16(15)13-25)11-23-21(27)20-12-22-18-7-3-4-8-19(18)24-20;24-17(14-23-9-8-15-4-1-2-5-16(15)13-23)12-22-21(25)18-6-3-7-19-20(18)27-11-10-26-19;24-19(14-23-9-7-15-3-1-2-4-18(15)13-23)12-22-21(25)17-5-6-20-16(11-17)8-10-26-20;24-17(13-23-10-9-15-5-1-2-6-16(15)12-23)11-22-21(25)19-14-26-20-8-4-3-7-18(19)20;25-16(13-24-10-9-14-5-1-2-6-15(14)12-24)11-21-20(26)19-17-7-3-4-8-18(17)22-23-19;25-16(12-24-9-8-14-4-1-2-5-15(14)11-24)10-21-20(26)17-6-3-7-18-19(17)23-13-22-18;23-17(12-22-8-7-14-3-1-2-4-16(14)11-22)10-21-20(24)15-5-6-18-19(9-15)26-13-25-18/h2-9,16,19,26H,10-15H2,1H3;2,4,6,8-10,13,22,26H,1,3,5,7,11-12,14-16H2,(H,24,27);1-8,12,17,26H,9-11,13-14H2,(H,23,27);1-7,17,24H,8-14H2,(H,22,25);1-6,11,19,24H,7-10,12-14H2,(H,22,25);1-8,14,17,24H,9-13H2,(H,22,25);1-8,16,25H,9-13H2,(H,21,26)(H,22,23);1-7,13,16,25H,8-12H2,(H,21,26)(H,22,23);1-6,9,17,23H,7-8,10-13H2,(H,21,24)/t19-;22-;2*17-;19-;17-;2*16-;17-/m000000000/s1.
What are the key properties of (4S)-5-(3,4-dihydro-1H-isoquinolin-2-yl)-4-hydroxy-1-(1-methylindol-3-yl)pentan-1-one;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-1H-benzimidazole-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-1,3-benzodioxole-5-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-1-benzothiophene-3-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2,3-dihydro-1-benzofuran-5-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-1H-indazole-3-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]quinoxaline-2-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
(4S)-5-(3,4-dihydro-1H-isoquinolin-2-yl)-4-hydroxy-1-(1-methylindol-3-yl)pentan-1-one;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-1H-benzimidazole-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-1,3-benzodioxole-5-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-1-benzothiophene-3-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2,3-dihydro-1-benzofuran-5-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-1H-indazole-3-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]quinoxaline-2-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide has a molecular weight of 3232.00 g/mol, XLogP of 19.47, 46 rotatable bonds, 19 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-5-(3,4-dihydro-1H-isoquinolin-2-yl)-4-hydroxy-1-(1-methylindol-3-yl)pentan-1-one;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-1H-benzimidazole-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-1,3-benzodioxole-5-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-1-benzothiophene-3-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2,3-dihydro-1-benzofuran-5-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-1H-indazole-3-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]quinoxaline-2-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide is sourced from PubChem (CID 159351827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).