About 2,2-difluoro-1-[(1S)-6-[(3-methoxy-6-methyl-2-pyridinyl)methoxy]-1-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl]propan-1-one;1-[(1S)-6-[(3-methoxy-6-methyl-2-pyridinyl)methoxy]-1-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl]-3,3-dimethylbutan-1-one;1-[(1S)-6-[(3-methoxy-6-methyl-2-pyridinyl)methoxy]-1-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl]-2,2-dimethylpropan-1-one;1-[(1S)-6-[(3-methoxy-6-methyl-2-pyridinyl)methoxy]-1-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl]-2-methylbutan-1-one;1-[(1S)-6-[(3-methoxy-6-methyl-2-pyridinyl)methoxy]-1-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl]-3-methylbutan-1-one;1-[(1S)-6-[(3-methoxy-6-methyl-2-pyridinyl)methoxy]-1-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl]-2-methyl-3-phenylpropan-1-one;methyl (1R)-2-(2,2-difluoropropanoyl)-6-[(3-methoxy-6-methyl-2-pyridinyl)methoxy]-3,4-dihydro-1H-isoquinoline-1-carboxylate
2,2-difluoro-1-[(1S)-6-[(3-methoxy-6-methyl-2-pyridinyl)methoxy]-1-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl]propan-1-one;1-[(1S)-6-[(3-methoxy-6-methyl-2-pyridinyl)methoxy]-1-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl]-3,3-dimethylbutan-1-one;1-[(1S)-6-[(3-methoxy-6-methyl-2-pyridinyl)methoxy]-1-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl]-2,2-dimethylpropan-1-one;1-[(1S)-6-[(3-methoxy-6-methyl-2-pyridinyl)methoxy]-1-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl]-2-methylbutan-1-one;1-[(1S)-6-[(3-methoxy-6-methyl-2-pyridinyl)methoxy]-1-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl]-3-methylbutan-1-one;1-[(1S)-6-[(3-methoxy-6-methyl-2-pyridinyl)methoxy]-1-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl]-2-methyl-3-phenylpropan-1-one;methyl (1R)-2-(2,2-difluoropropanoyl)-6-[(3-methoxy-6-methyl-2-pyridinyl)methoxy]-3,4-dihydro-1H-isoquinoline-1-carboxylate (PubChem CID 160567610) has the molecular formula C176H226F4N14O23
and a molecular weight of 2981.81 g/mol. Its IUPAC name is 2,2-difluoro-1-[(1S)-6-[(3-methoxy-6-methyl-2-pyridinyl)methoxy]-1-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl]propan-1-one;1-[(1S)-6-[(3-methoxy-6-methyl-2-pyridinyl)methoxy]-1-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl]-3,3-dimethylbutan-1-one;1-[(1S)-6-[(3-methoxy-6-methyl-2-pyridinyl)methoxy]-1-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl]-2,2-dimethylpropan-1-one;1-[(1S)-6-[(3-methoxy-6-methyl-2-pyridinyl)methoxy]-1-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl]-2-methylbutan-1-one;1-[(1S)-6-[(3-methoxy-6-methyl-2-pyridinyl)methoxy]-1-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl]-3-methylbutan-1-one;1-[(1S)-6-[(3-methoxy-6-methyl-2-pyridinyl)methoxy]-1-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl]-2-methyl-3-phenylpropan-1-one;methyl (1R)-2-(2,2-difluoropropanoyl)-6-[(3-methoxy-6-methyl-2-pyridinyl)methoxy]-3,4-dihydro-1H-isoquinoline-1-carboxylate.
Frequently Asked Questions
What is the IUPAC name of 2,2-difluoro-1-[(1S)-6-[(3-methoxy-6-methyl-2-pyridinyl)methoxy]-1-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl]propan-1-one;1-[(1S)-6-[(3-methoxy-6-methyl-2-pyridinyl)methoxy]-1-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl]-3,3-dimethylbutan-1-one;1-[(1S)-6-[(3-methoxy-6-methyl-2-pyridinyl)methoxy]-1-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl]-2,2-dimethylpropan-1-one;1-[(1S)-6-[(3-methoxy-6-methyl-2-pyridinyl)methoxy]-1-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl]-2-methylbutan-1-one;1-[(1S)-6-[(3-methoxy-6-methyl-2-pyridinyl)methoxy]-1-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl]-3-methylbutan-1-one;1-[(1S)-6-[(3-methoxy-6-methyl-2-pyridinyl)methoxy]-1-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl]-2-methyl-3-phenylpropan-1-one;methyl (1R)-2-(2,2-difluoropropanoyl)-6-[(3-methoxy-6-methyl-2-pyridinyl)methoxy]-3,4-dihydro-1H-isoquinoline-1-carboxylate?
The IUPAC name of 2,2-difluoro-1-[(1S)-6-[(3-methoxy-6-methyl-2-pyridinyl)methoxy]-1-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl]propan-1-one;1-[(1S)-6-[(3-methoxy-6-methyl-2-pyridinyl)methoxy]-1-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl]-3,3-dimethylbutan-1-one;1-[(1S)-6-[(3-methoxy-6-methyl-2-pyridinyl)methoxy]-1-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl]-2,2-dimethylpropan-1-one;1-[(1S)-6-[(3-methoxy-6-methyl-2-pyridinyl)methoxy]-1-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl]-2-methylbutan-1-one;1-[(1S)-6-[(3-methoxy-6-methyl-2-pyridinyl)methoxy]-1-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl]-3-methylbutan-1-one;1-[(1S)-6-[(3-methoxy-6-methyl-2-pyridinyl)methoxy]-1-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl]-2-methyl-3-phenylpropan-1-one;methyl (1R)-2-(2,2-difluoropropanoyl)-6-[(3-methoxy-6-methyl-2-pyridinyl)methoxy]-3,4-dihydro-1H-isoquinoline-1-carboxylate (CID 160567610) is 2,2-difluoro-1-[(1S)-6-[(3-methoxy-6-methyl-2-pyridinyl)methoxy]-1-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl]propan-1-one;1-[(1S)-6-[(3-methoxy-6-methyl-2-pyridinyl)methoxy]-1-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl]-3,3-dimethylbutan-1-one;1-[(1S)-6-[(3-methoxy-6-methyl-2-pyridinyl)methoxy]-1-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl]-2,2-dimethylpropan-1-one;1-[(1S)-6-[(3-methoxy-6-methyl-2-pyridinyl)methoxy]-1-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl]-2-methylbutan-1-one;1-[(1S)-6-[(3-methoxy-6-methyl-2-pyridinyl)methoxy]-1-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl]-3-methylbutan-1-one;1-[(1S)-6-[(3-methoxy-6-methyl-2-pyridinyl)methoxy]-1-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl]-2-methyl-3-phenylpropan-1-one;methyl (1R)-2-(2,2-difluoropropanoyl)-6-[(3-methoxy-6-methyl-2-pyridinyl)methoxy]-3,4-dihydro-1H-isoquinoline-1-carboxylate.
What is the SMILES notation for 2,2-difluoro-1-[(1S)-6-[(3-methoxy-6-methyl-2-pyridinyl)methoxy]-1-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl]propan-1-one;1-[(1S)-6-[(3-methoxy-6-methyl-2-pyridinyl)methoxy]-1-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl]-3,3-dimethylbutan-1-one;1-[(1S)-6-[(3-methoxy-6-methyl-2-pyridinyl)methoxy]-1-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl]-2,2-dimethylpropan-1-one;1-[(1S)-6-[(3-methoxy-6-methyl-2-pyridinyl)methoxy]-1-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl]-2-methylbutan-1-one;1-[(1S)-6-[(3-methoxy-6-methyl-2-pyridinyl)methoxy]-1-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl]-3-methylbutan-1-one;1-[(1S)-6-[(3-methoxy-6-methyl-2-pyridinyl)methoxy]-1-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl]-2-methyl-3-phenylpropan-1-one;methyl (1R)-2-(2,2-difluoropropanoyl)-6-[(3-methoxy-6-methyl-2-pyridinyl)methoxy]-3,4-dihydro-1H-isoquinoline-1-carboxylate?
The canonical SMILES for 2,2-difluoro-1-[(1S)-6-[(3-methoxy-6-methyl-2-pyridinyl)methoxy]-1-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl]propan-1-one;1-[(1S)-6-[(3-methoxy-6-methyl-2-pyridinyl)methoxy]-1-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl]-3,3-dimethylbutan-1-one;1-[(1S)-6-[(3-methoxy-6-methyl-2-pyridinyl)methoxy]-1-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl]-2,2-dimethylpropan-1-one;1-[(1S)-6-[(3-methoxy-6-methyl-2-pyridinyl)methoxy]-1-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl]-2-methylbutan-1-one;1-[(1S)-6-[(3-methoxy-6-methyl-2-pyridinyl)methoxy]-1-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl]-3-methylbutan-1-one;1-[(1S)-6-[(3-methoxy-6-methyl-2-pyridinyl)methoxy]-1-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl]-2-methyl-3-phenylpropan-1-one;methyl (1R)-2-(2,2-difluoropropanoyl)-6-[(3-methoxy-6-methyl-2-pyridinyl)methoxy]-3,4-dihydro-1H-isoquinoline-1-carboxylate is CCC(C)C(=O)N1CCc2cc(OCc3nc(C)ccc3OC)ccc2[C@@H]1C(C)C.COC(=O)[C@H]1c2ccc(OCc3nc(C)ccc3OC)cc2CCN1C(=O)C(C)(F)F.COc1ccc(C)nc1COc1ccc2c(c1)CCN(C(=O)C(C)(C)C)[C@H]2C(C)C.COc1ccc(C)nc1COc1ccc2c(c1)CCN(C(=O)C(C)(F)F)[C@H]2C(C)C.COc1ccc(C)nc1COc1ccc2c(c1)CCN(C(=O)C(C)Cc1ccccc1)[C@H]2C(C)C.COc1ccc(C)nc1COc1ccc2c(c1)CCN(C(=O)CC(C)(C)C)[C@H]2C(C)C.COc1ccc(C)nc1COc1ccc2c(c1)CCN(C(=O)CC(C)C)[C@H]2C(C)C.
What is the InChIKey of 2,2-difluoro-1-[(1S)-6-[(3-methoxy-6-methyl-2-pyridinyl)methoxy]-1-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl]propan-1-one;1-[(1S)-6-[(3-methoxy-6-methyl-2-pyridinyl)methoxy]-1-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl]-3,3-dimethylbutan-1-one;1-[(1S)-6-[(3-methoxy-6-methyl-2-pyridinyl)methoxy]-1-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl]-2,2-dimethylpropan-1-one;1-[(1S)-6-[(3-methoxy-6-methyl-2-pyridinyl)methoxy]-1-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl]-2-methylbutan-1-one;1-[(1S)-6-[(3-methoxy-6-methyl-2-pyridinyl)methoxy]-1-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl]-3-methylbutan-1-one;1-[(1S)-6-[(3-methoxy-6-methyl-2-pyridinyl)methoxy]-1-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl]-2-methyl-3-phenylpropan-1-one;methyl (1R)-2-(2,2-difluoropropanoyl)-6-[(3-methoxy-6-methyl-2-pyridinyl)methoxy]-3,4-dihydro-1H-isoquinoline-1-carboxylate?
The InChIKey is RADBEKZGCPJKNC-GSPUDRFWSA-N. The full InChI is InChI=1S/C30H36N2O3.C26H36N2O3.3C25H34N2O3.C23H28F2N2O3.C22H24F2N2O5/c1-20(2)29-26-13-12-25(35-19-27-28(34-5)14-11-22(4)31-27)18-24(26)15-16-32(29)30(33)21(3)17-23-9-7-6-8-10-23;1-17(2)25-21-10-9-20(31-16-22-23(30-7)11-8-18(3)27-22)14-19(21)12-13-28(25)24(29)15-26(4,5)6;1-16(2)23-20-10-9-19(30-15-21-22(29-7)11-8-17(3)26-21)14-18(20)12-13-27(23)24(28)25(4,5)6;1-16(2)13-24(28)27-12-11-19-14-20(8-9-21(19)25(27)17(3)4)30-15-22-23(29-6)10-7-18(5)26-22;1-7-17(4)25(28)27-13-12-19-14-20(9-10-21(19)24(27)16(2)3)30-15-22-23(29-6)11-8-18(5)26-22;1-14(2)21-18-8-7-17(30-13-19-20(29-5)9-6-15(3)26-19)12-16(18)10-11-27(21)22(28)23(4,24)25;1-13-5-8-18(29-3)17(25-13)12-31-15-6-7-16-14(11-15)9-10-26(19(16)20(27)30-4)21(28)22(2,23)24/h6-14,18,20-21,29H,15-17,19H2,1-5H3;8-11,14,17,25H,12-13,15-16H2,1-7H3;8-11,14,16,23H,12-13,15H2,1-7H3;7-10,14,16-17,25H,11-13,15H2,1-6H3;8-11,14,16-17,24H,7,12-13,15H2,1-6H3;6-9,12,14,21H,10-11,13H2,1-5H3;5-8,11,19H,9-10,12H2,1-4H3/t21?,29-;25-;23-;25-;17?,24-;21-;19-/m0000001/s1.
What are the key properties of 2,2-difluoro-1-[(1S)-6-[(3-methoxy-6-methyl-2-pyridinyl)methoxy]-1-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl]propan-1-one;1-[(1S)-6-[(3-methoxy-6-methyl-2-pyridinyl)methoxy]-1-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl]-3,3-dimethylbutan-1-one;1-[(1S)-6-[(3-methoxy-6-methyl-2-pyridinyl)methoxy]-1-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl]-2,2-dimethylpropan-1-one;1-[(1S)-6-[(3-methoxy-6-methyl-2-pyridinyl)methoxy]-1-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl]-2-methylbutan-1-one;1-[(1S)-6-[(3-methoxy-6-methyl-2-pyridinyl)methoxy]-1-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl]-3-methylbutan-1-one;1-[(1S)-6-[(3-methoxy-6-methyl-2-pyridinyl)methoxy]-1-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl]-2-methyl-3-phenylpropan-1-one;methyl (1R)-2-(2,2-difluoropropanoyl)-6-[(3-methoxy-6-methyl-2-pyridinyl)methoxy]-3,4-dihydro-1H-isoquinoline-1-carboxylate?
2,2-difluoro-1-[(1S)-6-[(3-methoxy-6-methyl-2-pyridinyl)methoxy]-1-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl]propan-1-one;1-[(1S)-6-[(3-methoxy-6-methyl-2-pyridinyl)methoxy]-1-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl]-3,3-dimethylbutan-1-one;1-[(1S)-6-[(3-methoxy-6-methyl-2-pyridinyl)methoxy]-1-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl]-2,2-dimethylpropan-1-one;1-[(1S)-6-[(3-methoxy-6-methyl-2-pyridinyl)methoxy]-1-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl]-2-methylbutan-1-one;1-[(1S)-6-[(3-methoxy-6-methyl-2-pyridinyl)methoxy]-1-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl]-3-methylbutan-1-one;1-[(1S)-6-[(3-methoxy-6-methyl-2-pyridinyl)methoxy]-1-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl]-2-methyl-3-phenylpropan-1-one;methyl (1R)-2-(2,2-difluoropropanoyl)-6-[(3-methoxy-6-methyl-2-pyridinyl)methoxy]-3,4-dihydro-1H-isoquinoline-1-carboxylate has a molecular weight of 2981.81 g/mol, XLogP of 34.70, 45 rotatable bonds, 0 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-1-[(1S)-6-[(3-methoxy-6-methyl-2-pyridinyl)methoxy]-1-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl]propan-1-one;1-[(1S)-6-[(3-methoxy-6-methyl-2-pyridinyl)methoxy]-1-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl]-3,3-dimethylbutan-1-one;1-[(1S)-6-[(3-methoxy-6-methyl-2-pyridinyl)methoxy]-1-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl]-2,2-dimethylpropan-1-one;1-[(1S)-6-[(3-methoxy-6-methyl-2-pyridinyl)methoxy]-1-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl]-2-methylbutan-1-one;1-[(1S)-6-[(3-methoxy-6-methyl-2-pyridinyl)methoxy]-1-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl]-3-methylbutan-1-one;1-[(1S)-6-[(3-methoxy-6-methyl-2-pyridinyl)methoxy]-1-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl]-2-methyl-3-phenylpropan-1-one;methyl (1R)-2-(2,2-difluoropropanoyl)-6-[(3-methoxy-6-methyl-2-pyridinyl)methoxy]-3,4-dihydro-1H-isoquinoline-1-carboxylate is sourced from PubChem (CID 160567610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).