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

C154H179ClN22O20S2 — CID 159398791

IUPAC7-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
SMILESCC(=O)CN(C)CCOc1cccc(C(=O)CCC(O)CN2CCc3ccccc3C2)c1.CS(=O)(=O)N1CC(Cc2cc(C(=O)NC[C@H](O)CN3CCc4ccccc4C3)ccn2)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)c1ccc2c(c1)OCCO2.O=C(NC[C@H](O)CN1CCc2ccccc2C1)c1ccc2ncsc2c1.O=C(NC[C@H](O)CN1CCc2ccccc2C1)c1nccc2ccccc12
InChIInChI=1S/C26H34N2O4.C23H30N4O4S.C22H23N3O2.C21H22ClN3O2.C21H25N5O2.C21H24N2O4.C20H21N3O2S/c1-20(29)17-27(2)14-15-32-25-9-5-8-22(16-25)26(31)11-10-24(30)19-28-13-12-21-6-3-4-7-23(21)18-28;1-32(30,31)27-13-17(14-27)10-21-11-19(6-8-24-21)23(29)25-12-22(28)16-26-9-7-18-4-2-3-5-20(18)15-26;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;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;24-17(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/h3-9,16,24,30H,10-15,17-19H2,1-2H3;2-6,8,11,17,22,28H,7,9-10,12-16H2,1H3,(H,25,29);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);1-6,11,18,24H,7-10,12-14H2,(H,22,25);1-6,9,13,17,24H,7-8,10-12H2,(H,21,25)/t;22-;19-;17-;2*18-;17-/m.000000/s1
InChIKeyLNBNRBUUQJEKRX-KUWMUWHESA-N
MW2757.85 g/mol
LogP14.53
Rot. Bonds45

About 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

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 (PubChem CID 159398791) has the molecular formula C154H179ClN22O20S2 and a molecular weight of 2757.85 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name7-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
PubChem CID159398791
Molecular FormulaC154H179ClN22O20S2
Molecular Weight2757.85 g/mol
Exact Mass2755.28
IUPAC Name7-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
SMILESCC(=O)CN(C)CCOc1cccc(C(=O)CCC(O)CN2CCc3ccccc3C2)c1.CS(=O)(=O)N1CC(Cc2cc(C(=O)NC[C@H](O)CN3CCc4ccccc4C3)ccn2)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)c1ccc2c(c1)OCCO2.O=C(NC[C@H](O)CN1CCc2ccccc2C1)c1ccc2ncsc2c1.O=C(NC[C@H](O)CN1CCc2ccccc2C1)c1nccc2ccccc12
InChIInChI=1S/C26H34N2O4.C23H30N4O4S.C22H23N3O2.C21H22ClN3O2.C21H25N5O2.C21H24N2O4.C20H21N3O2S/c1-20(29)17-27(2)14-15-32-25-9-5-8-22(16-25)26(31)11-10-24(30)19-28-13-12-21-6-3-4-7-23(21)18-28;1-32(30,31)27-13-17(14-27)10-21-11-19(6-8-24-21)23(29)25-12-22(28)16-26-9-7-18-4-2-3-5-20(18)15-26;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;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;24-17(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/h3-9,16,24,30H,10-15,17-19H2,1-2H3;2-6,8,11,17,22,28H,7,9-10,12-16H2,1H3,(H,25,29);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);1-6,11,18,24H,7-10,12-14H2,(H,22,25);1-6,9,13,17,24H,7-8,10-12H2,(H,21,25)/t;22-;19-;17-;2*18-;17-/m.000000/s1
InChIKeyLNBNRBUUQJEKRX-KUWMUWHESA-N
XLogP14.53
TPSA525.99 Ų
H-Bond Donors14
H-Bond Acceptors35
Rotatable Bonds45
Heavy Atoms199
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002757.85
LogP ≤ 514.53
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1035

Analyze 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 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 160912200
CID 160912200
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
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
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
2-[(1S)-1-[(6-amino-5-cyanopyrimidin-4-yl)amino]ethyl]-8-fluoro-N-propan-2-ylquinoline-3-carboxamide;3-[[4-amino-3-[2-(2-oxopropyl)-1,3-benzothiazol-6-yl]pyrazolo[3,4-d]pyrimidin-1-yl]methyl]-8-methyl-2-(2-methylphenyl)isoquinolin-1-one;1-[8-chloro-4-[[5-(5-methoxy-3-pyridinyl)-2-morpholin-4-yl-4-pyridinyl]amino]-3-methylquinolin-2-yl]pyrrolidin-2-one;3-fluoro-5-[4-methyl-2-(methylamino)quinazolin-6-yl]phenol;N-(7-fluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)-5-morpholin-4-yl-1,2,4-thiadiazol-3-amine
CID 159955123
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
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;1-[2-(3-tert-butylphenoxy)ethyl-methylamino]propan-2-one;3-[(3-tert-butylphenyl)methyl]-1-methylsulfonylazetidine;(3S)-3-[(3-tert-butylphenyl)methyl]-1-methylsulfonylpyrrolidine;1-[3-[(4-tert-butyl-2-pyridinyl)amino]azetidin-1-yl]ethanone
CID 160738065

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;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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(=O)CN(C)CCOc1cccc(C(=O)CCC(O)CN2CCc3ccccc3C2)c1.CS(=O)(=O)N1CC(Cc2cc(C(=O)NC[C@H](O)CN3CCc4ccccc4C3)ccn2)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)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;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?
The InChIKey is LNBNRBUUQJEKRX-KUWMUWHESA-N. The full InChI is InChI=1S/C26H34N2O4.C23H30N4O4S.C22H23N3O2.C21H22ClN3O2.C21H25N5O2.C21H24N2O4.C20H21N3O2S/c1-20(29)17-27(2)14-15-32-25-9-5-8-22(16-25)26(31)11-10-24(30)19-28-13-12-21-6-3-4-7-23(21)18-28;1-32(30,31)27-13-17(14-27)10-21-11-19(6-8-24-21)23(29)25-12-22(28)16-26-9-7-18-4-2-3-5-20(18)15-26;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;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;24-17(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/h3-9,16,24,30H,10-15,17-19H2,1-2H3;2-6,8,11,17,22,28H,7,9-10,12-16H2,1H3,(H,25,29);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);1-6,11,18,24H,7-10,12-14H2,(H,22,25);1-6,9,13,17,24H,7-8,10-12H2,(H,21,25)/t;22-;19-;17-;2*18-;17-/m.000000/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;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?
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 has a molecular weight of 2757.85 g/mol, XLogP of 14.53, 45 rotatable bonds, 14 hydrogen bond donors, and 35 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;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 is sourced from PubChem (CID 159398791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).