About 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3-fluoro-4-pyridinyl)phenoxy]propan-2-ol;N-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]-3-methylimidazole-4-carboxamide;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3-methylimidazo[4,5-b]pyridin-5-yl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(9-methylpurin-2-yl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)phenoxy]propan-2-ol;ethyl 2-[2-hydroxy-3-[3-(3-methylbenzimidazol-5-yl)phenoxy]propyl]-3,4-dihydro-1H-isoquinoline-1-carboxylate;1-[3-(3-methylbenzimidazol-5-yl)phenoxy]-3-(8-methyl-3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol
1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3-fluoro-4-pyridinyl)phenoxy]propan-2-ol;N-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]-3-methylimidazole-4-carboxamide;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3-methylimidazo[4,5-b]pyridin-5-yl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(9-methylpurin-2-yl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)phenoxy]propan-2-ol;ethyl 2-[2-hydroxy-3-[3-(3-methylbenzimidazol-5-yl)phenoxy]propyl]-3,4-dihydro-1H-isoquinoline-1-carboxylate;1-[3-(3-methylbenzimidazol-5-yl)phenoxy]-3-(8-methyl-3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol (PubChem CID 162032725) has the molecular formula C181H192FN25O17
and a molecular weight of 3008.68 g/mol. Its IUPAC name is 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3-fluoro-4-pyridinyl)phenoxy]propan-2-ol;N-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]-3-methylimidazole-4-carboxamide;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3-methylimidazo[4,5-b]pyridin-5-yl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(9-methylpurin-2-yl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)phenoxy]propan-2-ol;ethyl 2-[2-hydroxy-3-[3-(3-methylbenzimidazol-5-yl)phenoxy]propyl]-3,4-dihydro-1H-isoquinoline-1-carboxylate;1-[3-(3-methylbenzimidazol-5-yl)phenoxy]-3-(8-methyl-3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol.
Frequently Asked Questions
What is the IUPAC name of 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3-fluoro-4-pyridinyl)phenoxy]propan-2-ol;N-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]-3-methylimidazole-4-carboxamide;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3-methylimidazo[4,5-b]pyridin-5-yl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(9-methylpurin-2-yl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)phenoxy]propan-2-ol;ethyl 2-[2-hydroxy-3-[3-(3-methylbenzimidazol-5-yl)phenoxy]propyl]-3,4-dihydro-1H-isoquinoline-1-carboxylate;1-[3-(3-methylbenzimidazol-5-yl)phenoxy]-3-(8-methyl-3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol?
The IUPAC name of 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3-fluoro-4-pyridinyl)phenoxy]propan-2-ol;N-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]-3-methylimidazole-4-carboxamide;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3-methylimidazo[4,5-b]pyridin-5-yl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(9-methylpurin-2-yl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)phenoxy]propan-2-ol;ethyl 2-[2-hydroxy-3-[3-(3-methylbenzimidazol-5-yl)phenoxy]propyl]-3,4-dihydro-1H-isoquinoline-1-carboxylate;1-[3-(3-methylbenzimidazol-5-yl)phenoxy]-3-(8-methyl-3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol (CID 162032725) is 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3-fluoro-4-pyridinyl)phenoxy]propan-2-ol;N-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]-3-methylimidazole-4-carboxamide;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3-methylimidazo[4,5-b]pyridin-5-yl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(9-methylpurin-2-yl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)phenoxy]propan-2-ol;ethyl 2-[2-hydroxy-3-[3-(3-methylbenzimidazol-5-yl)phenoxy]propyl]-3,4-dihydro-1H-isoquinoline-1-carboxylate;1-[3-(3-methylbenzimidazol-5-yl)phenoxy]-3-(8-methyl-3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol.
What is the SMILES notation for 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3-fluoro-4-pyridinyl)phenoxy]propan-2-ol;N-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]-3-methylimidazole-4-carboxamide;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3-methylimidazo[4,5-b]pyridin-5-yl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(9-methylpurin-2-yl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)phenoxy]propan-2-ol;ethyl 2-[2-hydroxy-3-[3-(3-methylbenzimidazol-5-yl)phenoxy]propyl]-3,4-dihydro-1H-isoquinoline-1-carboxylate;1-[3-(3-methylbenzimidazol-5-yl)phenoxy]-3-(8-methyl-3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol?
The canonical SMILES for 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3-fluoro-4-pyridinyl)phenoxy]propan-2-ol;N-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]-3-methylimidazole-4-carboxamide;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3-methylimidazo[4,5-b]pyridin-5-yl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(9-methylpurin-2-yl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)phenoxy]propan-2-ol;ethyl 2-[2-hydroxy-3-[3-(3-methylbenzimidazol-5-yl)phenoxy]propyl]-3,4-dihydro-1H-isoquinoline-1-carboxylate;1-[3-(3-methylbenzimidazol-5-yl)phenoxy]-3-(8-methyl-3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol is CCOC(=O)C1c2ccccc2CCN1CC(O)COc1cccc(-c2ccc3ncn(C)c3c2)c1.Cc1cccc2c1CN(CC(O)COc1cccc(-c3ccc4ncn(C)c4c3)c1)CC2.Cn1cnc2ccc(-c3cccc(OCC(O)CN4CCc5ccccc5C4)c3)nc21.Cn1cnc2cnc(-c3cccc(OCC(O)CN4CCc5ccccc5C4)c3)nc21.Cn1cncc1C(=O)Nc1cccc(OCC(O)CN2CCc3ccccc3C2)c1.OC(COc1cccc(-c2ccncc2F)c1)CN1CCc2ccccc2C1.OC(COc1cccc(N2CCc3[nH]nc(-c4ccccc4)c3C2)c1)CN1CCc2ccccc2C1.
What is the InChIKey of 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3-fluoro-4-pyridinyl)phenoxy]propan-2-ol;N-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]-3-methylimidazole-4-carboxamide;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3-methylimidazo[4,5-b]pyridin-5-yl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(9-methylpurin-2-yl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)phenoxy]propan-2-ol;ethyl 2-[2-hydroxy-3-[3-(3-methylbenzimidazol-5-yl)phenoxy]propyl]-3,4-dihydro-1H-isoquinoline-1-carboxylate;1-[3-(3-methylbenzimidazol-5-yl)phenoxy]-3-(8-methyl-3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol?
The InChIKey is YWFXYRVQRNTQTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32N4O2.C29H31N3O4.C27H29N3O2.C25H26N4O2.C24H25N5O2.C23H23FN2O2.C23H26N4O3/c35-26(19-33-15-13-22-7-4-5-10-24(22)18-33)21-36-27-12-6-11-25(17-27)34-16-14-29-28(20-34)30(32-31-29)23-8-2-1-3-9-23;1-3-35-29(34)28-25-10-5-4-7-20(25)13-14-32(28)17-23(33)18-36-24-9-6-8-21(15-24)22-11-12-26-27(16-22)31(2)19-30-26;1-19-5-3-6-20-11-12-30(16-25(19)20)15-23(31)17-32-24-8-4-7-21(13-24)22-9-10-26-27(14-22)29(2)18-28-26;1-28-17-26-24-10-9-23(27-25(24)28)19-7-4-8-22(13-19)31-16-21(30)15-29-12-11-18-5-2-3-6-20(18)14-29;1-28-16-26-22-12-25-23(27-24(22)28)18-7-4-8-21(11-18)31-15-20(30)14-29-10-9-17-5-2-3-6-19(17)13-29;24-23-13-25-10-8-22(23)18-6-3-7-21(12-18)28-16-20(27)15-26-11-9-17-4-1-2-5-19(17)14-26;1-26-16-24-12-22(26)23(29)25-19-7-4-8-21(11-19)30-15-20(28)14-27-10-9-17-5-2-3-6-18(17)13-27/h1-12,17,26,35H,13-16,18-21H2,(H,31,32);4-12,15-16,19,23,28,33H,3,13-14,17-18H2,1-2H3;3-10,13-14,18,23,31H,11-12,15-17H2,1-2H3;2-10,13,17,21,30H,11-12,14-16H2,1H3;2-8,11-12,16,20,30H,9-10,13-15H2,1H3;1-8,10,12-13,20,27H,9,11,14-16H2;2-8,11-12,16,20,28H,9-10,13-15H2,1H3,(H,25,29).
What are the key properties of 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3-fluoro-4-pyridinyl)phenoxy]propan-2-ol;N-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]-3-methylimidazole-4-carboxamide;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3-methylimidazo[4,5-b]pyridin-5-yl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(9-methylpurin-2-yl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)phenoxy]propan-2-ol;ethyl 2-[2-hydroxy-3-[3-(3-methylbenzimidazol-5-yl)phenoxy]propyl]-3,4-dihydro-1H-isoquinoline-1-carboxylate;1-[3-(3-methylbenzimidazol-5-yl)phenoxy]-3-(8-methyl-3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol?
1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3-fluoro-4-pyridinyl)phenoxy]propan-2-ol;N-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]-3-methylimidazole-4-carboxamide;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3-methylimidazo[4,5-b]pyridin-5-yl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(9-methylpurin-2-yl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)phenoxy]propan-2-ol;ethyl 2-[2-hydroxy-3-[3-(3-methylbenzimidazol-5-yl)phenoxy]propyl]-3,4-dihydro-1H-isoquinoline-1-carboxylate;1-[3-(3-methylbenzimidazol-5-yl)phenoxy]-3-(8-methyl-3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol has a molecular weight of 3008.68 g/mol, XLogP of 25.34, 46 rotatable bonds, 9 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3-fluoro-4-pyridinyl)phenoxy]propan-2-ol;N-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]-3-methylimidazole-4-carboxamide;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3-methylimidazo[4,5-b]pyridin-5-yl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(9-methylpurin-2-yl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)phenoxy]propan-2-ol;ethyl 2-[2-hydroxy-3-[3-(3-methylbenzimidazol-5-yl)phenoxy]propyl]-3,4-dihydro-1H-isoquinoline-1-carboxylate;1-[3-(3-methylbenzimidazol-5-yl)phenoxy]-3-(8-methyl-3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol is sourced from PubChem (CID 162032725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).