About tert-butyl 8-fluoro-6-hydroxy-3,4-dihydro-1H-isoquinoline-2-carboxylate;tert-butyl 8-fluoro-6-methyl-3,4-dihydro-1H-isoquinoline-2-carboxylate;tert-butyl 8-fluoro-6-[[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]methoxy]-3,4-dihydro-1H-isoquinoline-2-carboxylate;(4S)-5-chloro-1-[2-(cyclobutylamino)-4-pyridinyl]-4-hydroxypentan-1-one;(4S)-1-[2-(cyclobutylamino)-4-pyridinyl]-5-[8-fluoro-6-(1H-pyrazol-4-ylmethoxy)-3,4-dihydro-1H-isoquinolin-2-yl]-4-hydroxypentan-1-one;(4S)-1-[2-(cyclobutylamino)-4-pyridinyl]-5-[8-fluoro-6-[[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]methoxy]-3,4-dihydro-1H-isoquinolin-2-yl]-4-hydroxypentan-1-one;2-[[4-[(8-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)oxymethyl]pyrazol-1-yl]methoxy]ethyl-trimethylsilane;[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]methanol
tert-butyl 8-fluoro-6-hydroxy-3,4-dihydro-1H-isoquinoline-2-carboxylate;tert-butyl 8-fluoro-6-methyl-3,4-dihydro-1H-isoquinoline-2-carboxylate;tert-butyl 8-fluoro-6-[[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]methoxy]-3,4-dihydro-1H-isoquinoline-2-carboxylate;(4S)-5-chloro-1-[2-(cyclobutylamino)-4-pyridinyl]-4-hydroxypentan-1-one;(4S)-1-[2-(cyclobutylamino)-4-pyridinyl]-5-[8-fluoro-6-(1H-pyrazol-4-ylmethoxy)-3,4-dihydro-1H-isoquinolin-2-yl]-4-hydroxypentan-1-one;(4S)-1-[2-(cyclobutylamino)-4-pyridinyl]-5-[8-fluoro-6-[[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]methoxy]-3,4-dihydro-1H-isoquinolin-2-yl]-4-hydroxypentan-1-one;2-[[4-[(8-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)oxymethyl]pyrazol-1-yl]methoxy]ethyl-trimethylsilane;[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]methanol (PubChem CID 159318504) has the molecular formula C156H219ClF6N22O22Si4
and a molecular weight of 3016.38 g/mol. Its IUPAC name is tert-butyl 8-fluoro-6-hydroxy-3,4-dihydro-1H-isoquinoline-2-carboxylate;tert-butyl 8-fluoro-6-methyl-3,4-dihydro-1H-isoquinoline-2-carboxylate;tert-butyl 8-fluoro-6-[[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]methoxy]-3,4-dihydro-1H-isoquinoline-2-carboxylate;(4S)-5-chloro-1-[2-(cyclobutylamino)-4-pyridinyl]-4-hydroxypentan-1-one;(4S)-1-[2-(cyclobutylamino)-4-pyridinyl]-5-[8-fluoro-6-(1H-pyrazol-4-ylmethoxy)-3,4-dihydro-1H-isoquinolin-2-yl]-4-hydroxypentan-1-one;(4S)-1-[2-(cyclobutylamino)-4-pyridinyl]-5-[8-fluoro-6-[[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]methoxy]-3,4-dihydro-1H-isoquinolin-2-yl]-4-hydroxypentan-1-one;2-[[4-[(8-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)oxymethyl]pyrazol-1-yl]methoxy]ethyl-trimethylsilane;[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]methanol.
Frequently Asked Questions
What is the IUPAC name of tert-butyl 8-fluoro-6-hydroxy-3,4-dihydro-1H-isoquinoline-2-carboxylate;tert-butyl 8-fluoro-6-methyl-3,4-dihydro-1H-isoquinoline-2-carboxylate;tert-butyl 8-fluoro-6-[[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]methoxy]-3,4-dihydro-1H-isoquinoline-2-carboxylate;(4S)-5-chloro-1-[2-(cyclobutylamino)-4-pyridinyl]-4-hydroxypentan-1-one;(4S)-1-[2-(cyclobutylamino)-4-pyridinyl]-5-[8-fluoro-6-(1H-pyrazol-4-ylmethoxy)-3,4-dihydro-1H-isoquinolin-2-yl]-4-hydroxypentan-1-one;(4S)-1-[2-(cyclobutylamino)-4-pyridinyl]-5-[8-fluoro-6-[[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]methoxy]-3,4-dihydro-1H-isoquinolin-2-yl]-4-hydroxypentan-1-one;2-[[4-[(8-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)oxymethyl]pyrazol-1-yl]methoxy]ethyl-trimethylsilane;[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]methanol?
The IUPAC name of tert-butyl 8-fluoro-6-hydroxy-3,4-dihydro-1H-isoquinoline-2-carboxylate;tert-butyl 8-fluoro-6-methyl-3,4-dihydro-1H-isoquinoline-2-carboxylate;tert-butyl 8-fluoro-6-[[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]methoxy]-3,4-dihydro-1H-isoquinoline-2-carboxylate;(4S)-5-chloro-1-[2-(cyclobutylamino)-4-pyridinyl]-4-hydroxypentan-1-one;(4S)-1-[2-(cyclobutylamino)-4-pyridinyl]-5-[8-fluoro-6-(1H-pyrazol-4-ylmethoxy)-3,4-dihydro-1H-isoquinolin-2-yl]-4-hydroxypentan-1-one;(4S)-1-[2-(cyclobutylamino)-4-pyridinyl]-5-[8-fluoro-6-[[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]methoxy]-3,4-dihydro-1H-isoquinolin-2-yl]-4-hydroxypentan-1-one;2-[[4-[(8-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)oxymethyl]pyrazol-1-yl]methoxy]ethyl-trimethylsilane;[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]methanol (CID 159318504) is tert-butyl 8-fluoro-6-hydroxy-3,4-dihydro-1H-isoquinoline-2-carboxylate;tert-butyl 8-fluoro-6-methyl-3,4-dihydro-1H-isoquinoline-2-carboxylate;tert-butyl 8-fluoro-6-[[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]methoxy]-3,4-dihydro-1H-isoquinoline-2-carboxylate;(4S)-5-chloro-1-[2-(cyclobutylamino)-4-pyridinyl]-4-hydroxypentan-1-one;(4S)-1-[2-(cyclobutylamino)-4-pyridinyl]-5-[8-fluoro-6-(1H-pyrazol-4-ylmethoxy)-3,4-dihydro-1H-isoquinolin-2-yl]-4-hydroxypentan-1-one;(4S)-1-[2-(cyclobutylamino)-4-pyridinyl]-5-[8-fluoro-6-[[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]methoxy]-3,4-dihydro-1H-isoquinolin-2-yl]-4-hydroxypentan-1-one;2-[[4-[(8-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)oxymethyl]pyrazol-1-yl]methoxy]ethyl-trimethylsilane;[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]methanol.
What is the SMILES notation for tert-butyl 8-fluoro-6-hydroxy-3,4-dihydro-1H-isoquinoline-2-carboxylate;tert-butyl 8-fluoro-6-methyl-3,4-dihydro-1H-isoquinoline-2-carboxylate;tert-butyl 8-fluoro-6-[[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]methoxy]-3,4-dihydro-1H-isoquinoline-2-carboxylate;(4S)-5-chloro-1-[2-(cyclobutylamino)-4-pyridinyl]-4-hydroxypentan-1-one;(4S)-1-[2-(cyclobutylamino)-4-pyridinyl]-5-[8-fluoro-6-(1H-pyrazol-4-ylmethoxy)-3,4-dihydro-1H-isoquinolin-2-yl]-4-hydroxypentan-1-one;(4S)-1-[2-(cyclobutylamino)-4-pyridinyl]-5-[8-fluoro-6-[[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]methoxy]-3,4-dihydro-1H-isoquinolin-2-yl]-4-hydroxypentan-1-one;2-[[4-[(8-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)oxymethyl]pyrazol-1-yl]methoxy]ethyl-trimethylsilane;[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]methanol?
The canonical SMILES for tert-butyl 8-fluoro-6-hydroxy-3,4-dihydro-1H-isoquinoline-2-carboxylate;tert-butyl 8-fluoro-6-methyl-3,4-dihydro-1H-isoquinoline-2-carboxylate;tert-butyl 8-fluoro-6-[[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]methoxy]-3,4-dihydro-1H-isoquinoline-2-carboxylate;(4S)-5-chloro-1-[2-(cyclobutylamino)-4-pyridinyl]-4-hydroxypentan-1-one;(4S)-1-[2-(cyclobutylamino)-4-pyridinyl]-5-[8-fluoro-6-(1H-pyrazol-4-ylmethoxy)-3,4-dihydro-1H-isoquinolin-2-yl]-4-hydroxypentan-1-one;(4S)-1-[2-(cyclobutylamino)-4-pyridinyl]-5-[8-fluoro-6-[[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]methoxy]-3,4-dihydro-1H-isoquinolin-2-yl]-4-hydroxypentan-1-one;2-[[4-[(8-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)oxymethyl]pyrazol-1-yl]methoxy]ethyl-trimethylsilane;[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]methanol is CC(C)(C)OC(=O)N1CCc2cc(O)cc(F)c2C1.CC(C)(C)OC(=O)N1CCc2cc(OCc3cnn(COCC[Si](C)(C)C)c3)cc(F)c2C1.C[Si](C)(C)CCOCn1cc(CO)cn1.C[Si](C)(C)CCOCn1cc(COc2cc(F)c3c(c2)CCN(C[C@@H](O)CCC(=O)c2ccnc(NC4CCC4)c2)C3)cn1.C[Si](C)(C)CCOCn1cc(COc2cc(F)c3c(c2)CCNC3)cn1.Cc1cc(F)c2c(c1)CCN(C(=O)OC(C)(C)C)C2.O=C(CC[C@H](O)CCl)c1ccnc(NC2CCC2)c1.O=C(CC[C@H](O)CN1CCc2cc(OCc3cn[nH]c3)cc(F)c2C1)c1ccnc(NC2CCC2)c1.
What is the InChIKey of tert-butyl 8-fluoro-6-hydroxy-3,4-dihydro-1H-isoquinoline-2-carboxylate;tert-butyl 8-fluoro-6-methyl-3,4-dihydro-1H-isoquinoline-2-carboxylate;tert-butyl 8-fluoro-6-[[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]methoxy]-3,4-dihydro-1H-isoquinoline-2-carboxylate;(4S)-5-chloro-1-[2-(cyclobutylamino)-4-pyridinyl]-4-hydroxypentan-1-one;(4S)-1-[2-(cyclobutylamino)-4-pyridinyl]-5-[8-fluoro-6-(1H-pyrazol-4-ylmethoxy)-3,4-dihydro-1H-isoquinolin-2-yl]-4-hydroxypentan-1-one;(4S)-1-[2-(cyclobutylamino)-4-pyridinyl]-5-[8-fluoro-6-[[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]methoxy]-3,4-dihydro-1H-isoquinolin-2-yl]-4-hydroxypentan-1-one;2-[[4-[(8-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)oxymethyl]pyrazol-1-yl]methoxy]ethyl-trimethylsilane;[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]methanol?
The InChIKey is LDLMQPZSBCKLLP-MZFFSKKKSA-N. The full InChI is InChI=1S/C33H46FN5O4Si.C27H32FN5O3.C24H36FN3O4Si.C19H28FN3O2Si.C15H20FNO2.C14H19ClN2O2.C14H18FNO3.C10H20N2O2Si/c1-44(2,3)14-13-42-23-39-19-24(18-36-39)22-43-29-15-25-10-12-38(21-30(25)31(34)17-29)20-28(40)7-8-32(41)26-9-11-35-33(16-26)37-27-5-4-6-27;28-25-12-23(36-17-18-13-30-31-14-18)10-19-7-9-33(16-24(19)25)15-22(34)4-5-26(35)20-6-8-29-27(11-20)32-21-2-1-3-21;1-24(2,3)32-23(29)27-8-7-19-11-20(12-22(25)21(19)15-27)31-16-18-13-26-28(14-18)17-30-9-10-33(4,5)6;1-26(2,3)7-6-24-14-23-12-15(10-22-23)13-25-17-8-16-4-5-21-11-18(16)19(20)9-17;1-10-7-11-5-6-17(9-12(11)13(16)8-10)14(18)19-15(2,3)4;15-9-12(18)4-5-13(19)10-6-7-16-14(8-10)17-11-2-1-3-11;1-14(2,3)19-13(18)16-5-4-9-6-10(17)7-12(15)11(9)8-16;1-15(2,3)5-4-14-9-12-7-10(8-13)6-11-12/h9,11,15-19,27-28,40H,4-8,10,12-14,20-23H2,1-3H3,(H,35,37);6,8,10-14,21-22,34H,1-5,7,9,15-17H2,(H,29,32)(H,30,31);11-14H,7-10,15-17H2,1-6H3;8-10,12,21H,4-7,11,13-14H2,1-3H3;7-8H,5-6,9H2,1-4H3;6-8,11-12,18H,1-5,9H2,(H,16,17);6-7,17H,4-5,8H2,1-3H3;6-7,13H,4-5,8-9H2,1-3H3/t28-;22-;;;;12-;;/m00...0../s1.
What are the key properties of tert-butyl 8-fluoro-6-hydroxy-3,4-dihydro-1H-isoquinoline-2-carboxylate;tert-butyl 8-fluoro-6-methyl-3,4-dihydro-1H-isoquinoline-2-carboxylate;tert-butyl 8-fluoro-6-[[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]methoxy]-3,4-dihydro-1H-isoquinoline-2-carboxylate;(4S)-5-chloro-1-[2-(cyclobutylamino)-4-pyridinyl]-4-hydroxypentan-1-one;(4S)-1-[2-(cyclobutylamino)-4-pyridinyl]-5-[8-fluoro-6-(1H-pyrazol-4-ylmethoxy)-3,4-dihydro-1H-isoquinolin-2-yl]-4-hydroxypentan-1-one;(4S)-1-[2-(cyclobutylamino)-4-pyridinyl]-5-[8-fluoro-6-[[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]methoxy]-3,4-dihydro-1H-isoquinolin-2-yl]-4-hydroxypentan-1-one;2-[[4-[(8-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)oxymethyl]pyrazol-1-yl]methoxy]ethyl-trimethylsilane;[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]methanol?
tert-butyl 8-fluoro-6-hydroxy-3,4-dihydro-1H-isoquinoline-2-carboxylate;tert-butyl 8-fluoro-6-methyl-3,4-dihydro-1H-isoquinoline-2-carboxylate;tert-butyl 8-fluoro-6-[[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]methoxy]-3,4-dihydro-1H-isoquinoline-2-carboxylate;(4S)-5-chloro-1-[2-(cyclobutylamino)-4-pyridinyl]-4-hydroxypentan-1-one;(4S)-1-[2-(cyclobutylamino)-4-pyridinyl]-5-[8-fluoro-6-(1H-pyrazol-4-ylmethoxy)-3,4-dihydro-1H-isoquinolin-2-yl]-4-hydroxypentan-1-one;(4S)-1-[2-(cyclobutylamino)-4-pyridinyl]-5-[8-fluoro-6-[[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]methoxy]-3,4-dihydro-1H-isoquinolin-2-yl]-4-hydroxypentan-1-one;2-[[4-[(8-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)oxymethyl]pyrazol-1-yl]methoxy]ethyl-trimethylsilane;[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]methanol has a molecular weight of 3016.38 g/mol, XLogP of 28.84, 56 rotatable bonds, 10 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 8-fluoro-6-hydroxy-3,4-dihydro-1H-isoquinoline-2-carboxylate;tert-butyl 8-fluoro-6-methyl-3,4-dihydro-1H-isoquinoline-2-carboxylate;tert-butyl 8-fluoro-6-[[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]methoxy]-3,4-dihydro-1H-isoquinoline-2-carboxylate;(4S)-5-chloro-1-[2-(cyclobutylamino)-4-pyridinyl]-4-hydroxypentan-1-one;(4S)-1-[2-(cyclobutylamino)-4-pyridinyl]-5-[8-fluoro-6-(1H-pyrazol-4-ylmethoxy)-3,4-dihydro-1H-isoquinolin-2-yl]-4-hydroxypentan-1-one;(4S)-1-[2-(cyclobutylamino)-4-pyridinyl]-5-[8-fluoro-6-[[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]methoxy]-3,4-dihydro-1H-isoquinolin-2-yl]-4-hydroxypentan-1-one;2-[[4-[(8-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)oxymethyl]pyrazol-1-yl]methoxy]ethyl-trimethylsilane;[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]methanol is sourced from PubChem (CID 159318504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).