3-[[(3S)-1-acetylpyrrolidin-3-yl]methyl]-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]benzamide;N-[2-[[4-[(4S)-5-(3,4-dihydro-1H-isoquinolin-2-yl)-4-hydroxypentanoyl]-2-pyridinyl]amino]ethyl]-N-methylmethanesulfonamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-1-benzofuran-2-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-1H-indole-2-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-1H-indole-5-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]isoquinoline-1-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[methyl-[2-[methyl(methylsulfonyl)amino]ethyl]amino]pyridine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[2-(4-methylmorpholin-2-yl)ethyl]pyridine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[2-(1-methylpiperidin-3-yl)ethyl]pyridine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[[(3S)-1-methylsulfonylpyrrolidin-3-yl]methyl]benzamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[[(3R)-1-methylsulfonylpyrrolidin-3-yl]methyl]benzamide

C258H325N37O33S4 — CID 161361153

IUPAC3-[[(3S)-1-acetylpyrrolidin-3-yl]methyl]-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]benzamide;N-[2-[[4-[(4S)-5-(3,4-dihydro-1H-isoquinolin-2-yl)-4-hydroxypentanoyl]-2-pyridinyl]amino]ethyl]-N-methylmethanesulfonamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-1-benzofuran-2-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-1H-indole-2-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-1H-indole-5-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]isoquinoline-1-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[methyl-[2-[methyl(methylsulfonyl)amino]ethyl]amino]pyridine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[2-(4-methylmorpholin-2-yl)ethyl]pyridine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[2-(1-methylpiperidin-3-yl)ethyl]pyridine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[[(3S)-1-methylsulfonylpyrrolidin-3-yl]methyl]benzamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[[(3R)-1-methylsulfonylpyrrolidin-3-yl]methyl]benzamide
SMILESCC(=O)N1CC[C@H](Cc2cccc(C(=O)NC[C@H](O)CN3CCc4ccccc4C3)c2)C1.CN(CCN(C)S(C)(=O)=O)c1cc(C(=O)NC[C@H](O)CN2CCc3ccccc3C2)ccn1.CN(CCNc1cc(C(=O)CC[C@H](O)CN2CCc3ccccc3C2)ccn1)S(C)(=O)=O.CN1CCCC(CCc2cc(C(=O)NC[C@H](O)CN3CCc4ccccc4C3)ccn2)C1.CN1CCOC(CCc2cc(C(=O)NC[C@H](O)CN3CCc4ccccc4C3)ccn2)C1.CS(=O)(=O)N1CC[C@@H](Cc2cccc(C(=O)NC[C@H](O)CN3CCc4ccccc4C3)c2)C1.CS(=O)(=O)N1CC[C@H](Cc2cccc(C(=O)NC[C@H](O)CN3CCc4ccccc4C3)c2)C1.O=C(NC[C@H](O)CN1CCc2ccccc2C1)c1cc2ccccc2[nH]1.O=C(NC[C@H](O)CN1CCc2ccccc2C1)c1cc2ccccc2o1.O=C(NC[C@H](O)CN1CCc2ccccc2C1)c1ccc2[nH]ccc2c1.O=C(NC[C@H](O)CN1CCc2ccccc2C1)c1nccc2ccccc12
InChIInChI=1S/C26H36N4O2.C26H33N3O3.C25H34N4O3.2C25H33N3O4S.C23H33N5O4S.C23H32N4O4S.C22H23N3O2.2C21H23N3O2.C21H22N2O3/c1-29-13-4-5-20(17-29)8-9-24-15-22(10-12-27-24)26(32)28-16-25(31)19-30-14-11-21-6-2-3-7-23(21)18-30;1-19(30)29-12-9-21(16-29)13-20-5-4-8-23(14-20)26(32)27-15-25(31)18-28-11-10-22-6-2-3-7-24(22)17-28;1-28-12-13-32-24(18-28)7-6-22-14-20(8-10-26-22)25(31)27-15-23(30)17-29-11-9-19-4-2-3-5-21(19)16-29;2*1-33(31,32)28-12-9-20(16-28)13-19-5-4-8-22(14-19)25(30)26-15-24(29)18-27-11-10-21-6-2-3-7-23(21)17-27;1-26(12-13-27(2)33(3,31)32)22-14-19(8-10-24-22)23(30)25-15-21(29)17-28-11-9-18-6-4-5-7-20(18)16-28;1-26(32(2,30)31)14-12-25-23-15-19(9-11-24-23)22(29)8-7-21(28)17-27-13-10-18-5-3-4-6-20(18)16-27;26-19(15-25-12-10-16-5-1-2-7-18(16)14-25)13-24-22(27)21-20-8-4-3-6-17(20)9-11-23-21;25-18(14-24-10-9-15-5-1-2-7-17(15)13-24)12-22-21(26)20-11-16-6-3-4-8-19(16)23-20;25-19(14-24-10-8-15-3-1-2-4-18(15)13-24)12-23-21(26)17-5-6-20-16(11-17)7-9-22-20;24-18(14-23-10-9-15-5-1-2-7-17(15)13-23)12-22-21(25)20-11-16-6-3-4-8-19(16)26-20/h2-3,6-7,10,12,15,20,25,31H,4-5,8-9,11,13-14,16-19H2,1H3,(H,28,32);2-8,14,21,25,31H,9-13,15-18H2,1H3,(H,27,32);2-5,8,10,14,23-24,30H,6-7,9,11-13,15-18H2,1H3,(H,27,31);2*2-8,14,20,24,29H,9-13,15-18H2,1H3,(H,26,30);4-8,10,14,21,29H,9,11-13,15-17H2,1-3H3,(H,25,30);3-6,9,11,15,21,28H,7-8,10,12-14,16-17H2,1-2H3,(H,24,25);1-9,11,19,26H,10,12-15H2,(H,24,27);1-8,11,18,23,25H,9-10,12-14H2,(H,22,26);1-7,9,11,19,22,25H,8,10,12-14H2,(H,23,26);1-8,11,18,24H,9-10,12-14H2,(H,22,25)/t20?,25-;21-,25+;23-,24?;20-,24+;20-,24-;2*21-;19-;18-;19-;18-/m01010000000/s1
InChIKeyVPEPPRVWVPCWIL-UITOMMSCSA-N
MW4600.93 g/mol
LogP21.49
Rot. Bonds80

About 3-[[(3S)-1-acetylpyrrolidin-3-yl]methyl]-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]benzamide;N-[2-[[4-[(4S)-5-(3,4-dihydro-1H-isoquinolin-2-yl)-4-hydroxypentanoyl]-2-pyridinyl]amino]ethyl]-N-methylmethanesulfonamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-1-benzofuran-2-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-1H-indole-2-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-1H-indole-5-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]isoquinoline-1-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[methyl-[2-[methyl(methylsulfonyl)amino]ethyl]amino]pyridine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[2-(4-methylmorpholin-2-yl)ethyl]pyridine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[2-(1-methylpiperidin-3-yl)ethyl]pyridine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[[(3S)-1-methylsulfonylpyrrolidin-3-yl]methyl]benzamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[[(3R)-1-methylsulfonylpyrrolidin-3-yl]methyl]benzamide

3-[[(3S)-1-acetylpyrrolidin-3-yl]methyl]-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]benzamide;N-[2-[[4-[(4S)-5-(3,4-dihydro-1H-isoquinolin-2-yl)-4-hydroxypentanoyl]-2-pyridinyl]amino]ethyl]-N-methylmethanesulfonamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-1-benzofuran-2-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-1H-indole-2-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-1H-indole-5-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]isoquinoline-1-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[methyl-[2-[methyl(methylsulfonyl)amino]ethyl]amino]pyridine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[2-(4-methylmorpholin-2-yl)ethyl]pyridine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[2-(1-methylpiperidin-3-yl)ethyl]pyridine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[[(3S)-1-methylsulfonylpyrrolidin-3-yl]methyl]benzamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[[(3R)-1-methylsulfonylpyrrolidin-3-yl]methyl]benzamide (PubChem CID 161361153) has the molecular formula C258H325N37O33S4 and a molecular weight of 4600.93 g/mol. Its IUPAC name is 3-[[(3S)-1-acetylpyrrolidin-3-yl]methyl]-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]benzamide;N-[2-[[4-[(4S)-5-(3,4-dihydro-1H-isoquinolin-2-yl)-4-hydroxypentanoyl]-2-pyridinyl]amino]ethyl]-N-methylmethanesulfonamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-1-benzofuran-2-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-1H-indole-2-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-1H-indole-5-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]isoquinoline-1-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[methyl-[2-[methyl(methylsulfonyl)amino]ethyl]amino]pyridine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[2-(4-methylmorpholin-2-yl)ethyl]pyridine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[2-(1-methylpiperidin-3-yl)ethyl]pyridine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[[(3S)-1-methylsulfonylpyrrolidin-3-yl]methyl]benzamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[[(3R)-1-methylsulfonylpyrrolidin-3-yl]methyl]benzamide.

Molecular Properties

Compound Name3-[[(3S)-1-acetylpyrrolidin-3-yl]methyl]-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]benzamide;N-[2-[[4-[(4S)-5-(3,4-dihydro-1H-isoquinolin-2-yl)-4-hydroxypentanoyl]-2-pyridinyl]amino]ethyl]-N-methylmethanesulfonamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-1-benzofuran-2-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-1H-indole-2-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-1H-indole-5-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]isoquinoline-1-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[methyl-[2-[methyl(methylsulfonyl)amino]ethyl]amino]pyridine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[2-(4-methylmorpholin-2-yl)ethyl]pyridine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[2-(1-methylpiperidin-3-yl)ethyl]pyridine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[[(3S)-1-methylsulfonylpyrrolidin-3-yl]methyl]benzamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[[(3R)-1-methylsulfonylpyrrolidin-3-yl]methyl]benzamide
PubChem CID161361153
Molecular FormulaC258H325N37O33S4
Molecular Weight4600.93 g/mol
Exact Mass4597.38
IUPAC Name3-[[(3S)-1-acetylpyrrolidin-3-yl]methyl]-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]benzamide;N-[2-[[4-[(4S)-5-(3,4-dihydro-1H-isoquinolin-2-yl)-4-hydroxypentanoyl]-2-pyridinyl]amino]ethyl]-N-methylmethanesulfonamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-1-benzofuran-2-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-1H-indole-2-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-1H-indole-5-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]isoquinoline-1-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[methyl-[2-[methyl(methylsulfonyl)amino]ethyl]amino]pyridine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[2-(4-methylmorpholin-2-yl)ethyl]pyridine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[2-(1-methylpiperidin-3-yl)ethyl]pyridine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[[(3S)-1-methylsulfonylpyrrolidin-3-yl]methyl]benzamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[[(3R)-1-methylsulfonylpyrrolidin-3-yl]methyl]benzamide
SMILESCC(=O)N1CC[C@H](Cc2cccc(C(=O)NC[C@H](O)CN3CCc4ccccc4C3)c2)C1.CN(CCN(C)S(C)(=O)=O)c1cc(C(=O)NC[C@H](O)CN2CCc3ccccc3C2)ccn1.CN(CCNc1cc(C(=O)CC[C@H](O)CN2CCc3ccccc3C2)ccn1)S(C)(=O)=O.CN1CCCC(CCc2cc(C(=O)NC[C@H](O)CN3CCc4ccccc4C3)ccn2)C1.CN1CCOC(CCc2cc(C(=O)NC[C@H](O)CN3CCc4ccccc4C3)ccn2)C1.CS(=O)(=O)N1CC[C@@H](Cc2cccc(C(=O)NC[C@H](O)CN3CCc4ccccc4C3)c2)C1.CS(=O)(=O)N1CC[C@H](Cc2cccc(C(=O)NC[C@H](O)CN3CCc4ccccc4C3)c2)C1.O=C(NC[C@H](O)CN1CCc2ccccc2C1)c1cc2ccccc2[nH]1.O=C(NC[C@H](O)CN1CCc2ccccc2C1)c1cc2ccccc2o1.O=C(NC[C@H](O)CN1CCc2ccccc2C1)c1ccc2[nH]ccc2c1.O=C(NC[C@H](O)CN1CCc2ccccc2C1)c1nccc2ccccc12
InChIInChI=1S/C26H36N4O2.C26H33N3O3.C25H34N4O3.2C25H33N3O4S.C23H33N5O4S.C23H32N4O4S.C22H23N3O2.2C21H23N3O2.C21H22N2O3/c1-29-13-4-5-20(17-29)8-9-24-15-22(10-12-27-24)26(32)28-16-25(31)19-30-14-11-21-6-2-3-7-23(21)18-30;1-19(30)29-12-9-21(16-29)13-20-5-4-8-23(14-20)26(32)27-15-25(31)18-28-11-10-22-6-2-3-7-24(22)17-28;1-28-12-13-32-24(18-28)7-6-22-14-20(8-10-26-22)25(31)27-15-23(30)17-29-11-9-19-4-2-3-5-21(19)16-29;2*1-33(31,32)28-12-9-20(16-28)13-19-5-4-8-22(14-19)25(30)26-15-24(29)18-27-11-10-21-6-2-3-7-23(21)17-27;1-26(12-13-27(2)33(3,31)32)22-14-19(8-10-24-22)23(30)25-15-21(29)17-28-11-9-18-6-4-5-7-20(18)16-28;1-26(32(2,30)31)14-12-25-23-15-19(9-11-24-23)22(29)8-7-21(28)17-27-13-10-18-5-3-4-6-20(18)16-27;26-19(15-25-12-10-16-5-1-2-7-18(16)14-25)13-24-22(27)21-20-8-4-3-6-17(20)9-11-23-21;25-18(14-24-10-9-15-5-1-2-7-17(15)13-24)12-22-21(26)20-11-16-6-3-4-8-19(16)23-20;25-19(14-24-10-8-15-3-1-2-4-18(15)13-24)12-23-21(26)17-5-6-20-16(11-17)7-9-22-20;24-18(14-23-10-9-15-5-1-2-7-17(15)13-23)12-22-21(25)20-11-16-6-3-4-8-19(16)26-20/h2-3,6-7,10,12,15,20,25,31H,4-5,8-9,11,13-14,16-19H2,1H3,(H,28,32);2-8,14,21,25,31H,9-13,15-18H2,1H3,(H,27,32);2-5,8,10,14,23-24,30H,6-7,9,11-13,15-18H2,1H3,(H,27,31);2*2-8,14,20,24,29H,9-13,15-18H2,1H3,(H,26,30);4-8,10,14,21,29H,9,11-13,15-17H2,1-3H3,(H,25,30);3-6,9,11,15,21,28H,7-8,10,12-14,16-17H2,1-2H3,(H,24,25);1-9,11,19,26H,10,12-15H2,(H,24,27);1-8,11,18,23,25H,9-10,12-14H2,(H,22,26);1-7,9,11,19,22,25H,8,10,12-14H2,(H,23,26);1-8,11,18,24H,9-10,12-14H2,(H,22,25)/t20?,25-;21-,25+;23-,24?;20-,24+;20-,24-;2*21-;19-;18-;19-;18-/m01010000000/s1
InChIKeyVPEPPRVWVPCWIL-UITOMMSCSA-N
XLogP21.49
TPSA876.22 Ų
H-Bond Donors24
H-Bond Acceptors53
Rotatable Bonds80
Heavy Atoms332
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004600.93
LogP ≤ 521.49
H-Bond Donors ≤ 524
H-Bond Acceptors ≤ 1053

Analyze 3-[[(3S)-1-acetylpyrrolidin-3-yl]methyl]-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]benzamide;N-[2-[[4-[(4S)-5-(3,4-dihydro-1H-isoquinolin-2-yl)-4-hydroxypentanoyl]-2-pyridinyl]amino]ethyl]-N-methylmethanesulfonamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-1-benzofuran-2-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-1H-indole-2-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-1H-indole-5-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]isoquinoline-1-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[methyl-[2-[methyl(methylsulfonyl)amino]ethyl]amino]pyridine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[2-(4-methylmorpholin-2-yl)ethyl]pyridine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[2-(1-methylpiperidin-3-yl)ethyl]pyridine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[[(3S)-1-methylsulfonylpyrrolidin-3-yl]methyl]benzamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[[(3R)-1-methylsulfonylpyrrolidin-3-yl]methyl]benzamide with MolForge

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What is the IUPAC name of 3-[[(3S)-1-acetylpyrrolidin-3-yl]methyl]-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]benzamide;N-[2-[[4-[(4S)-5-(3,4-dihydro-1H-isoquinolin-2-yl)-4-hydroxypentanoyl]-2-pyridinyl]amino]ethyl]-N-methylmethanesulfonamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-1-benzofuran-2-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-1H-indole-2-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-1H-indole-5-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]isoquinoline-1-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[methyl-[2-[methyl(methylsulfonyl)amino]ethyl]amino]pyridine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[2-(4-methylmorpholin-2-yl)ethyl]pyridine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[2-(1-methylpiperidin-3-yl)ethyl]pyridine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[[(3S)-1-methylsulfonylpyrrolidin-3-yl]methyl]benzamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[[(3R)-1-methylsulfonylpyrrolidin-3-yl]methyl]benzamide?
The IUPAC name of 3-[[(3S)-1-acetylpyrrolidin-3-yl]methyl]-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]benzamide;N-[2-[[4-[(4S)-5-(3,4-dihydro-1H-isoquinolin-2-yl)-4-hydroxypentanoyl]-2-pyridinyl]amino]ethyl]-N-methylmethanesulfonamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-1-benzofuran-2-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-1H-indole-2-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-1H-indole-5-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]isoquinoline-1-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[methyl-[2-[methyl(methylsulfonyl)amino]ethyl]amino]pyridine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[2-(4-methylmorpholin-2-yl)ethyl]pyridine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[2-(1-methylpiperidin-3-yl)ethyl]pyridine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[[(3S)-1-methylsulfonylpyrrolidin-3-yl]methyl]benzamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[[(3R)-1-methylsulfonylpyrrolidin-3-yl]methyl]benzamide (CID 161361153) is 3-[[(3S)-1-acetylpyrrolidin-3-yl]methyl]-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]benzamide;N-[2-[[4-[(4S)-5-(3,4-dihydro-1H-isoquinolin-2-yl)-4-hydroxypentanoyl]-2-pyridinyl]amino]ethyl]-N-methylmethanesulfonamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-1-benzofuran-2-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-1H-indole-2-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-1H-indole-5-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]isoquinoline-1-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[methyl-[2-[methyl(methylsulfonyl)amino]ethyl]amino]pyridine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[2-(4-methylmorpholin-2-yl)ethyl]pyridine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[2-(1-methylpiperidin-3-yl)ethyl]pyridine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[[(3S)-1-methylsulfonylpyrrolidin-3-yl]methyl]benzamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[[(3R)-1-methylsulfonylpyrrolidin-3-yl]methyl]benzamide.
What is the SMILES notation for 3-[[(3S)-1-acetylpyrrolidin-3-yl]methyl]-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]benzamide;N-[2-[[4-[(4S)-5-(3,4-dihydro-1H-isoquinolin-2-yl)-4-hydroxypentanoyl]-2-pyridinyl]amino]ethyl]-N-methylmethanesulfonamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-1-benzofuran-2-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-1H-indole-2-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-1H-indole-5-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]isoquinoline-1-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[methyl-[2-[methyl(methylsulfonyl)amino]ethyl]amino]pyridine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[2-(4-methylmorpholin-2-yl)ethyl]pyridine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[2-(1-methylpiperidin-3-yl)ethyl]pyridine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[[(3S)-1-methylsulfonylpyrrolidin-3-yl]methyl]benzamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[[(3R)-1-methylsulfonylpyrrolidin-3-yl]methyl]benzamide?
The canonical SMILES for 3-[[(3S)-1-acetylpyrrolidin-3-yl]methyl]-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]benzamide;N-[2-[[4-[(4S)-5-(3,4-dihydro-1H-isoquinolin-2-yl)-4-hydroxypentanoyl]-2-pyridinyl]amino]ethyl]-N-methylmethanesulfonamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-1-benzofuran-2-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-1H-indole-2-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-1H-indole-5-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]isoquinoline-1-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[methyl-[2-[methyl(methylsulfonyl)amino]ethyl]amino]pyridine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[2-(4-methylmorpholin-2-yl)ethyl]pyridine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[2-(1-methylpiperidin-3-yl)ethyl]pyridine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[[(3S)-1-methylsulfonylpyrrolidin-3-yl]methyl]benzamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[[(3R)-1-methylsulfonylpyrrolidin-3-yl]methyl]benzamide is CC(=O)N1CC[C@H](Cc2cccc(C(=O)NC[C@H](O)CN3CCc4ccccc4C3)c2)C1.CN(CCN(C)S(C)(=O)=O)c1cc(C(=O)NC[C@H](O)CN2CCc3ccccc3C2)ccn1.CN(CCNc1cc(C(=O)CC[C@H](O)CN2CCc3ccccc3C2)ccn1)S(C)(=O)=O.CN1CCCC(CCc2cc(C(=O)NC[C@H](O)CN3CCc4ccccc4C3)ccn2)C1.CN1CCOC(CCc2cc(C(=O)NC[C@H](O)CN3CCc4ccccc4C3)ccn2)C1.CS(=O)(=O)N1CC[C@@H](Cc2cccc(C(=O)NC[C@H](O)CN3CCc4ccccc4C3)c2)C1.CS(=O)(=O)N1CC[C@H](Cc2cccc(C(=O)NC[C@H](O)CN3CCc4ccccc4C3)c2)C1.O=C(NC[C@H](O)CN1CCc2ccccc2C1)c1cc2ccccc2[nH]1.O=C(NC[C@H](O)CN1CCc2ccccc2C1)c1cc2ccccc2o1.O=C(NC[C@H](O)CN1CCc2ccccc2C1)c1ccc2[nH]ccc2c1.O=C(NC[C@H](O)CN1CCc2ccccc2C1)c1nccc2ccccc12.
What is the InChIKey of 3-[[(3S)-1-acetylpyrrolidin-3-yl]methyl]-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]benzamide;N-[2-[[4-[(4S)-5-(3,4-dihydro-1H-isoquinolin-2-yl)-4-hydroxypentanoyl]-2-pyridinyl]amino]ethyl]-N-methylmethanesulfonamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-1-benzofuran-2-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-1H-indole-2-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-1H-indole-5-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]isoquinoline-1-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[methyl-[2-[methyl(methylsulfonyl)amino]ethyl]amino]pyridine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[2-(4-methylmorpholin-2-yl)ethyl]pyridine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[2-(1-methylpiperidin-3-yl)ethyl]pyridine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[[(3S)-1-methylsulfonylpyrrolidin-3-yl]methyl]benzamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[[(3R)-1-methylsulfonylpyrrolidin-3-yl]methyl]benzamide?
The InChIKey is VPEPPRVWVPCWIL-UITOMMSCSA-N. The full InChI is InChI=1S/C26H36N4O2.C26H33N3O3.C25H34N4O3.2C25H33N3O4S.C23H33N5O4S.C23H32N4O4S.C22H23N3O2.2C21H23N3O2.C21H22N2O3/c1-29-13-4-5-20(17-29)8-9-24-15-22(10-12-27-24)26(32)28-16-25(31)19-30-14-11-21-6-2-3-7-23(21)18-30;1-19(30)29-12-9-21(16-29)13-20-5-4-8-23(14-20)26(32)27-15-25(31)18-28-11-10-22-6-2-3-7-24(22)17-28;1-28-12-13-32-24(18-28)7-6-22-14-20(8-10-26-22)25(31)27-15-23(30)17-29-11-9-19-4-2-3-5-21(19)16-29;2*1-33(31,32)28-12-9-20(16-28)13-19-5-4-8-22(14-19)25(30)26-15-24(29)18-27-11-10-21-6-2-3-7-23(21)17-27;1-26(12-13-27(2)33(3,31)32)22-14-19(8-10-24-22)23(30)25-15-21(29)17-28-11-9-18-6-4-5-7-20(18)16-28;1-26(32(2,30)31)14-12-25-23-15-19(9-11-24-23)22(29)8-7-21(28)17-27-13-10-18-5-3-4-6-20(18)16-27;26-19(15-25-12-10-16-5-1-2-7-18(16)14-25)13-24-22(27)21-20-8-4-3-6-17(20)9-11-23-21;25-18(14-24-10-9-15-5-1-2-7-17(15)13-24)12-22-21(26)20-11-16-6-3-4-8-19(16)23-20;25-19(14-24-10-8-15-3-1-2-4-18(15)13-24)12-23-21(26)17-5-6-20-16(11-17)7-9-22-20;24-18(14-23-10-9-15-5-1-2-7-17(15)13-23)12-22-21(25)20-11-16-6-3-4-8-19(16)26-20/h2-3,6-7,10,12,15,20,25,31H,4-5,8-9,11,13-14,16-19H2,1H3,(H,28,32);2-8,14,21,25,31H,9-13,15-18H2,1H3,(H,27,32);2-5,8,10,14,23-24,30H,6-7,9,11-13,15-18H2,1H3,(H,27,31);2*2-8,14,20,24,29H,9-13,15-18H2,1H3,(H,26,30);4-8,10,14,21,29H,9,11-13,15-17H2,1-3H3,(H,25,30);3-6,9,11,15,21,28H,7-8,10,12-14,16-17H2,1-2H3,(H,24,25);1-9,11,19,26H,10,12-15H2,(H,24,27);1-8,11,18,23,25H,9-10,12-14H2,(H,22,26);1-7,9,11,19,22,25H,8,10,12-14H2,(H,23,26);1-8,11,18,24H,9-10,12-14H2,(H,22,25)/t20?,25-;21-,25+;23-,24?;20-,24+;20-,24-;2*21-;19-;18-;19-;18-/m01010000000/s1.
What are the key properties of 3-[[(3S)-1-acetylpyrrolidin-3-yl]methyl]-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]benzamide;N-[2-[[4-[(4S)-5-(3,4-dihydro-1H-isoquinolin-2-yl)-4-hydroxypentanoyl]-2-pyridinyl]amino]ethyl]-N-methylmethanesulfonamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-1-benzofuran-2-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-1H-indole-2-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-1H-indole-5-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]isoquinoline-1-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[methyl-[2-[methyl(methylsulfonyl)amino]ethyl]amino]pyridine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[2-(4-methylmorpholin-2-yl)ethyl]pyridine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[2-(1-methylpiperidin-3-yl)ethyl]pyridine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[[(3S)-1-methylsulfonylpyrrolidin-3-yl]methyl]benzamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[[(3R)-1-methylsulfonylpyrrolidin-3-yl]methyl]benzamide?
3-[[(3S)-1-acetylpyrrolidin-3-yl]methyl]-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]benzamide;N-[2-[[4-[(4S)-5-(3,4-dihydro-1H-isoquinolin-2-yl)-4-hydroxypentanoyl]-2-pyridinyl]amino]ethyl]-N-methylmethanesulfonamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-1-benzofuran-2-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-1H-indole-2-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-1H-indole-5-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]isoquinoline-1-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[methyl-[2-[methyl(methylsulfonyl)amino]ethyl]amino]pyridine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[2-(4-methylmorpholin-2-yl)ethyl]pyridine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[2-(1-methylpiperidin-3-yl)ethyl]pyridine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[[(3S)-1-methylsulfonylpyrrolidin-3-yl]methyl]benzamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[[(3R)-1-methylsulfonylpyrrolidin-3-yl]methyl]benzamide has a molecular weight of 4600.93 g/mol, XLogP of 21.49, 80 rotatable bonds, 24 hydrogen bond donors, and 53 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(3S)-1-acetylpyrrolidin-3-yl]methyl]-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]benzamide;N-[2-[[4-[(4S)-5-(3,4-dihydro-1H-isoquinolin-2-yl)-4-hydroxypentanoyl]-2-pyridinyl]amino]ethyl]-N-methylmethanesulfonamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-1-benzofuran-2-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-1H-indole-2-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-1H-indole-5-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]isoquinoline-1-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[methyl-[2-[methyl(methylsulfonyl)amino]ethyl]amino]pyridine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[2-(4-methylmorpholin-2-yl)ethyl]pyridine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[2-(1-methylpiperidin-3-yl)ethyl]pyridine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[[(3S)-1-methylsulfonylpyrrolidin-3-yl]methyl]benzamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[[(3R)-1-methylsulfonylpyrrolidin-3-yl]methyl]benzamide is sourced from PubChem (CID 161361153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).