7-chloro-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]-1-benzofuran-2-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-1,3-benzothiazole-6-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-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]-3-[[(3S)-1-methylsulfonylpyrrolidin-3-yl]methyl]benzamide

C193H216ClN27O23S2 — CID 159452023

IUPAC7-chloro-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]-1-benzofuran-2-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-1,3-benzothiazole-6-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-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]-3-[[(3S)-1-methylsulfonylpyrrolidin-3-yl]methyl]benzamide
SMILESCS(=O)(=O)N1CC[C@H](Cc2cccc(C(=O)NC[C@H](O)CN3CCc4ccccc4C3)c2)C1.Cc1cc2ncc(C(=O)NC[C@H](O)CN3CCc4ccccc4C3)c(C)n2n1.O=C(NC[C@H](O)CN1CCc2ccccc2C1)c1cc2cccc(Cl)c2[nH]1.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)c1ccc2c(c1)OCCO2.O=C(NC[C@H](O)CN1CCc2ccccc2C1)c1ccc2ncsc2c1.O=C(NC[C@H](O)CN1CCc2ccccc2C1)c1nccc2ccccc12
InChIInChI=1S/C25H33N3O4S.C22H23N3O2.C21H22ClN3O2.C21H25N5O2.2C21H23N3O2.C21H24N2O4.C21H22N2O3.C20H21N3O2S/c1-33(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;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;22-18-7-3-6-15-10-19(24-20(15)18)21(27)23-11-17(26)13-25-9-8-14-4-1-2-5-16(14)12-25;1-14-9-20-22-11-19(15(2)26(20)24-14)21(28)23-10-18(27)13-25-8-7-16-5-3-4-6-17(16)12-25;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(14-23-8-7-15-3-1-2-4-17(15)13-23)12-22-21(25)16-5-6-19-20(11-16)27-10-9-26-19;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;24-17(12-23-8-7-14-3-1-2-4-16(14)11-23)10-21-20(25)15-5-6-18-19(9-15)26-13-22-18/h2-8,14,20,24,29H,9-13,15-18H2,1H3,(H,26,30);1-9,11,19,26H,10,12-15H2,(H,24,27);1-7,10,17,24,26H,8-9,11-13H2,(H,23,27);3-6,9,11,18,27H,7-8,10,12-13H2,1-2H3,(H,23,28);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);1-6,11,18,24H,7-10,12-14H2,(H,22,25);1-8,11,18,24H,9-10,12-14H2,(H,22,25);1-6,9,13,17,24H,7-8,10-12H2,(H,21,25)/t20-,24+;19-;17-;2*18-;19-;2*18-;17-/m100000000/s1
InChIKeyLTMQHUDJYCRDLU-DYZAWXADSA-N
MW3381.60 g/mol
LogP19.78
Rot. Bonds48

About 7-chloro-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]-1-benzofuran-2-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-1,3-benzothiazole-6-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-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]-3-[[(3S)-1-methylsulfonylpyrrolidin-3-yl]methyl]benzamide

7-chloro-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]-1-benzofuran-2-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-1,3-benzothiazole-6-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-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]-3-[[(3S)-1-methylsulfonylpyrrolidin-3-yl]methyl]benzamide (PubChem CID 159452023) has the molecular formula C193H216ClN27O23S2 and a molecular weight of 3381.60 g/mol. Its IUPAC name is 7-chloro-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]-1-benzofuran-2-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-1,3-benzothiazole-6-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-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]-3-[[(3S)-1-methylsulfonylpyrrolidin-3-yl]methyl]benzamide.

Molecular Properties

Compound Name7-chloro-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]-1-benzofuran-2-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-1,3-benzothiazole-6-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-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]-3-[[(3S)-1-methylsulfonylpyrrolidin-3-yl]methyl]benzamide
PubChem CID159452023
Molecular FormulaC193H216ClN27O23S2
Molecular Weight3381.60 g/mol
Exact Mass3378.57
IUPAC Name7-chloro-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]-1-benzofuran-2-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-1,3-benzothiazole-6-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-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]-3-[[(3S)-1-methylsulfonylpyrrolidin-3-yl]methyl]benzamide
SMILESCS(=O)(=O)N1CC[C@H](Cc2cccc(C(=O)NC[C@H](O)CN3CCc4ccccc4C3)c2)C1.Cc1cc2ncc(C(=O)NC[C@H](O)CN3CCc4ccccc4C3)c(C)n2n1.O=C(NC[C@H](O)CN1CCc2ccccc2C1)c1cc2cccc(Cl)c2[nH]1.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)c1ccc2c(c1)OCCO2.O=C(NC[C@H](O)CN1CCc2ccccc2C1)c1ccc2ncsc2c1.O=C(NC[C@H](O)CN1CCc2ccccc2C1)c1nccc2ccccc12
InChIInChI=1S/C25H33N3O4S.C22H23N3O2.C21H22ClN3O2.C21H25N5O2.2C21H23N3O2.C21H24N2O4.C21H22N2O3.C20H21N3O2S/c1-33(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;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;22-18-7-3-6-15-10-19(24-20(15)18)21(27)23-11-17(26)13-25-9-8-14-4-1-2-5-16(14)12-25;1-14-9-20-22-11-19(15(2)26(20)24-14)21(28)23-10-18(27)13-25-8-7-16-5-3-4-6-17(16)12-25;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(14-23-8-7-15-3-1-2-4-17(15)13-23)12-22-21(25)16-5-6-19-20(11-16)27-10-9-26-19;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;24-17(12-23-8-7-14-3-1-2-4-16(14)11-23)10-21-20(25)15-5-6-18-19(9-15)26-13-22-18/h2-8,14,20,24,29H,9-13,15-18H2,1H3,(H,26,30);1-9,11,19,26H,10,12-15H2,(H,24,27);1-7,10,17,24,26H,8-9,11-13H2,(H,23,27);3-6,9,11,18,27H,7-8,10,12-13H2,1-2H3,(H,23,28);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);1-6,11,18,24H,7-10,12-14H2,(H,22,25);1-8,11,18,24H,9-10,12-14H2,(H,22,25);1-6,9,13,17,24H,7-8,10-12H2,(H,21,25)/t20-,24+;19-;17-;2*18-;19-;2*18-;17-/m100000000/s1
InChIKeyLTMQHUDJYCRDLU-DYZAWXADSA-N
XLogP19.78
TPSA645.45 Ų
H-Bond Donors21
H-Bond Acceptors38
Rotatable Bonds48
Heavy Atoms246
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003381.60
LogP ≤ 519.78
H-Bond Donors ≤ 521
H-Bond Acceptors ≤ 1038

Analyze 7-chloro-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]-1-benzofuran-2-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-1,3-benzothiazole-6-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-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]-3-[[(3S)-1-methylsulfonylpyrrolidin-3-yl]methyl]benzamide with MolForge

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Related Compounds

4-(azetidin-3-ylmethyl)-6-tert-butylpyrimidine;2-tert-butyl-1-benzofuran;6-tert-butyl-1,3-benzothiazole;2-tert-butyl-7-chloro-1H-indole;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;2-tert-butyl-1H-indole;1-tert-butylisoquinoline;4-tert-butyl-6-[(1-methylazetidin-3-yl)methyl]pyrimidine;4-tert-butyl-2-[(1-methylsulfonylazetidin-3-yl)methyl]pyridine;4-tert-butyl-6-[(1-methylsulfonylazetidin-3-yl)methyl]pyrimidine;1-[2-(3-tert-butylphenoxy)ethyl-methylamino]propan-2-one;1-[3-[(4-tert-butyl-2-pyridinyl)amino]azetidin-1-yl]ethanone;4-tert-butyl-6-[[1-(2,2,2-trifluoroethyl)azetidin-3-yl]methyl]pyrimidine
CID 158193775
4-(azetidin-3-ylmethyl)-6-tert-butylpyrimidine;2-tert-butyl-1-benzofuran;6-tert-butyl-1,3-benzothiazole;2-tert-butyl-7-chloro-1H-indole;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;1-tert-butylisoquinoline;4-tert-butyl-2-[(1-methylsulfonylazetidin-3-yl)methyl]pyridine;4-tert-butyl-6-[(1-methylsulfonylazetidin-3-yl)methyl]pyrimidine;1-[2-(3-tert-butylphenoxy)ethyl-methylamino]propan-2-one;1-[3-[(4-tert-butyl-2-pyridinyl)amino]azetidin-1-yl]ethanone;1-[3-[(6-tert-butylpyrimidin-4-yl)amino]azetidin-1-yl]ethanone;4-tert-butyl-6-[[1-(2,2,2-trifluoroethyl)azetidin-3-yl]methyl]pyrimidine;methane;4-[(1-methylazetidin-3-yl)methyl]-6-propan-2-ylpyrimidine
CID 159448199
4-(azetidin-3-ylmethyl)-6-tert-butylpyrimidine;2-tert-butyl-1-benzofuran;6-tert-butyl-1,3-benzothiazole;2-tert-butyl-7-chloro-1H-indole;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;2-tert-butyl-1H-indole;1-tert-butylisoquinoline;4-tert-butyl-6-[(1-methylazetidin-3-yl)methyl]pyrimidine;4-tert-butyl-2-[(1-methylsulfonylazetidin-3-yl)methyl]pyridine;2-[2-(3-tert-butylphenoxy)ethyl-methylamino]acetamide;1-[3-[(4-tert-butyl-2-pyridinyl)amino]azetidin-1-yl]ethanone;4-tert-butyl-6-[[1-(2,2,2-trifluoroethyl)azetidin-3-yl]methyl]pyrimidine
CID 160221961
CID 160753415
CID 160753415
CID 161396757
CID 161396757
4-(azetidin-3-ylmethyl)-6-tert-butylpyrimidine;2-tert-butyl-1-benzofuran;6-tert-butyl-1,3-benzothiazole;2-tert-butyl-7-chloro-1H-indole;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;2-tert-butyl-1H-indole;1-tert-butylisoquinoline;4-tert-butyl-2-[(1-methylsulfonylazetidin-3-yl)methyl]pyridine;2-[2-(3-tert-butylphenoxy)ethyl-methylamino]acetamide;(3S)-3-[(3-tert-butylphenyl)methyl]-1-methylsulfonylpyrrolidine;(3R)-3-[(3-tert-butylphenyl)methyl]-1-methylsulfonylpyrrolidine;1-[(3S)-3-[(3-tert-butylphenyl)methyl]pyrrolidin-1-yl]ethanone;1-[3-[(4-tert-butyl-2-pyridinyl)amino]azetidin-1-yl]ethanone
CID 157082365
2-tert-butyl-1-benzofuran;6-tert-butyl-1,3-benzothiazole;2-tert-butyl-7-chloro-1H-indole;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;2-tert-butyl-1H-indole;1-tert-butylisoquinoline;4-tert-butyl-2-[(1-methylsulfonylazetidin-3-yl)methyl]pyridine;2-[2-(3-tert-butylphenoxy)ethyl-methylamino]acetamide;(3S)-3-[(3-tert-butylphenyl)methyl]-1-methylsulfonylpyrrolidine;(3R)-3-[(3-tert-butylphenyl)methyl]-1-methylsulfonylpyrrolidine;1-[(3S)-3-[(3-tert-butylphenyl)methyl]pyrrolidin-1-yl]ethanone;1-[3-[(4-tert-butyl-2-pyridinyl)amino]azetidin-1-yl]ethanone
CID 158011129
N-[[4-[4-amino-1-(4-hydroxycyclohexyl)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]methyl]-1-benzofuran-2-carboxamide;N-[[4-[4-amino-1-(4-hydroxycyclohexyl)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]methyl]-1,3-benzothiazole-2-carboxamide;N-[[4-[4-amino-1-(4-hydroxycyclohexyl)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]methyl]-1-benzothiophene-2-carboxamide;N-[[4-[4-amino-1-(4-hydroxycyclohexyl)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]methyl]-1H-indole-2-carboxamide;N-[[4-[4-amino-1-(4-hydroxycyclohexyl)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]methyl]isoquinoline-1-carboxamide;N-[[4-[4-amino-1-(4-hydroxycyclohexyl)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]methyl]quinoline-8-carboxamide
CID 158632288
7-chloro-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-1H-indole-2-carboxamide;5-(3,4-dihydro-1H-isoquinolin-2-yl)-4-hydroxy-1-[3-[2-[methyl(2-oxopropyl)amino]ethoxy]phenyl]pentan-1-one;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-1,3-benzothiazole-6-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-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-[(1-methylsulfonylazetidin-3-yl)methyl]pyridine-4-carboxamide
CID 159398791
5-chloro-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-1-benzofuran-2-carboxamide;1-(1,3-dimethyl-6-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)-3-(4-piperidin-1-ylsulfonylphenyl)propan-1-one;2-ethyl-4,5-dimethyl-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]thieno[2,3-d]pyrimidine-6-carboxamide;1-[1-(2-methylpropyl)indol-3-yl]-3-(4-pyrrolidin-1-ylsulfonylphenyl)propan-1-one;N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-2-propan-2-ylquinoline-4-carboxamide;3,4,7-trimethyl-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]-1-benzofuran-2-carboxamide
CID 159408749
2-tert-butyl-1-benzofuran;6-tert-butyl-1,3-benzothiazole;2-tert-butyl-7-chloro-1H-indole;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;2-tert-butyl-1H-indole;1-tert-butylisoquinoline;4-tert-butyl-2-[2-(1-methylpiperidin-3-yl)ethyl]pyridine;(3S)-3-[(3-tert-butylphenyl)methyl]-1-methylsulfonylpyrrolidine;(3R)-3-[(3-tert-butylphenyl)methyl]-1-methylsulfonylpyrrolidine;1-[(3S)-3-[(3-tert-butylphenyl)methyl]pyrrolidin-1-yl]ethanone;N-[2-[(4-tert-butyl-2-pyridinyl)amino]ethyl]-N-methylmethanesulfonamide;2-[2-(4-tert-butyl-2-pyridinyl)ethyl]-4-methylmorpholine;N-[2-[(4-tert-butyl-2-pyridinyl)-methylamino]ethyl]-N-methylmethanesulfonamide
CID 159675294
4-(azetidin-3-ylmethyl)-6-tert-butylpyrimidine;2-tert-butyl-1-benzofuran;6-tert-butyl-1,3-benzothiazole;2-tert-butyl-7-chloro-1H-indole;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;2-tert-butyl-1H-indole;1-tert-butylisoquinoline;4-tert-butyl-2-[(1-methylsulfonylazetidin-3-yl)methyl]pyridine;2-[2-(3-tert-butylphenoxy)ethyl-methylamino]acetamide;(3S)-3-[(3-tert-butylphenyl)methyl]-1-methylsulfonylpyrrolidine;1-[3-[(4-tert-butyl-2-pyridinyl)amino]azetidin-1-yl]ethanone
CID 160035966

Frequently Asked Questions

What is the IUPAC name of 7-chloro-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]-1-benzofuran-2-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-1,3-benzothiazole-6-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-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]-3-[[(3S)-1-methylsulfonylpyrrolidin-3-yl]methyl]benzamide?
The IUPAC name of 7-chloro-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]-1-benzofuran-2-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-1,3-benzothiazole-6-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-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]-3-[[(3S)-1-methylsulfonylpyrrolidin-3-yl]methyl]benzamide (CID 159452023) is 7-chloro-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]-1-benzofuran-2-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-1,3-benzothiazole-6-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-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]-3-[[(3S)-1-methylsulfonylpyrrolidin-3-yl]methyl]benzamide.
What is the SMILES notation for 7-chloro-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]-1-benzofuran-2-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-1,3-benzothiazole-6-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-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]-3-[[(3S)-1-methylsulfonylpyrrolidin-3-yl]methyl]benzamide?
The canonical SMILES for 7-chloro-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]-1-benzofuran-2-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-1,3-benzothiazole-6-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-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]-3-[[(3S)-1-methylsulfonylpyrrolidin-3-yl]methyl]benzamide is CS(=O)(=O)N1CC[C@H](Cc2cccc(C(=O)NC[C@H](O)CN3CCc4ccccc4C3)c2)C1.Cc1cc2ncc(C(=O)NC[C@H](O)CN3CCc4ccccc4C3)c(C)n2n1.O=C(NC[C@H](O)CN1CCc2ccccc2C1)c1cc2cccc(Cl)c2[nH]1.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)c1ccc2c(c1)OCCO2.O=C(NC[C@H](O)CN1CCc2ccccc2C1)c1ccc2ncsc2c1.O=C(NC[C@H](O)CN1CCc2ccccc2C1)c1nccc2ccccc12.
What is the InChIKey of 7-chloro-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]-1-benzofuran-2-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-1,3-benzothiazole-6-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-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]-3-[[(3S)-1-methylsulfonylpyrrolidin-3-yl]methyl]benzamide?
The InChIKey is LTMQHUDJYCRDLU-DYZAWXADSA-N. The full InChI is InChI=1S/C25H33N3O4S.C22H23N3O2.C21H22ClN3O2.C21H25N5O2.2C21H23N3O2.C21H24N2O4.C21H22N2O3.C20H21N3O2S/c1-33(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;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;22-18-7-3-6-15-10-19(24-20(15)18)21(27)23-11-17(26)13-25-9-8-14-4-1-2-5-16(14)12-25;1-14-9-20-22-11-19(15(2)26(20)24-14)21(28)23-10-18(27)13-25-8-7-16-5-3-4-6-17(16)12-25;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(14-23-8-7-15-3-1-2-4-17(15)13-23)12-22-21(25)16-5-6-19-20(11-16)27-10-9-26-19;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;24-17(12-23-8-7-14-3-1-2-4-16(14)11-23)10-21-20(25)15-5-6-18-19(9-15)26-13-22-18/h2-8,14,20,24,29H,9-13,15-18H2,1H3,(H,26,30);1-9,11,19,26H,10,12-15H2,(H,24,27);1-7,10,17,24,26H,8-9,11-13H2,(H,23,27);3-6,9,11,18,27H,7-8,10,12-13H2,1-2H3,(H,23,28);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);1-6,11,18,24H,7-10,12-14H2,(H,22,25);1-8,11,18,24H,9-10,12-14H2,(H,22,25);1-6,9,13,17,24H,7-8,10-12H2,(H,21,25)/t20-,24+;19-;17-;2*18-;19-;2*18-;17-/m100000000/s1.
What are the key properties of 7-chloro-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]-1-benzofuran-2-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-1,3-benzothiazole-6-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-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]-3-[[(3S)-1-methylsulfonylpyrrolidin-3-yl]methyl]benzamide?
7-chloro-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]-1-benzofuran-2-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-1,3-benzothiazole-6-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-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]-3-[[(3S)-1-methylsulfonylpyrrolidin-3-yl]methyl]benzamide has a molecular weight of 3381.60 g/mol, XLogP of 19.78, 48 rotatable bonds, 21 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-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]-1-benzofuran-2-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-1,3-benzothiazole-6-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-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]-3-[[(3S)-1-methylsulfonylpyrrolidin-3-yl]methyl]benzamide is sourced from PubChem (CID 159452023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).