About 4-[8-[[1-tert-butyl-3-(2,3,4-trifluorophenyl)pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]-3-methylbenzoic acid;tris(carbon dioxide);4-[8-[[3-(3-chloro-4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[8-[[1-cyclohexyl-3-(2,4,5-trifluorophenyl)pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;8-[(4-ethoxy-8-methoxynaphthalen-2-yl)methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;8-[[5-ethoxy-4-methyl-2-(4-methylpyrazol-1-yl)phenyl]methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;3-phenyl-8-[(3,3,7-trimethyl-2H-1-benzofuran-5-yl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
4-[8-[[1-tert-butyl-3-(2,3,4-trifluorophenyl)pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]-3-methylbenzoic acid;tris(carbon dioxide);4-[8-[[3-(3-chloro-4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[8-[[1-cyclohexyl-3-(2,4,5-trifluorophenyl)pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;8-[(4-ethoxy-8-methoxynaphthalen-2-yl)methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;8-[[5-ethoxy-4-methyl-2-(4-methylpyrazol-1-yl)phenyl]methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;3-phenyl-8-[(3,3,7-trimethyl-2H-1-benzofuran-5-yl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one (PubChem CID 159032254) has the molecular formula C171H180ClF7N20O28
and a molecular weight of 3131.87 g/mol. Its IUPAC name is 4-[8-[[1-tert-butyl-3-(2,3,4-trifluorophenyl)pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]-3-methylbenzoic acid;tris(carbon dioxide);4-[8-[[3-(3-chloro-4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[8-[[1-cyclohexyl-3-(2,4,5-trifluorophenyl)pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;8-[(4-ethoxy-8-methoxynaphthalen-2-yl)methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;8-[[5-ethoxy-4-methyl-2-(4-methylpyrazol-1-yl)phenyl]methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;3-phenyl-8-[(3,3,7-trimethyl-2H-1-benzofuran-5-yl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one.
Frequently Asked Questions
What is the IUPAC name of 4-[8-[[1-tert-butyl-3-(2,3,4-trifluorophenyl)pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]-3-methylbenzoic acid;tris(carbon dioxide);4-[8-[[3-(3-chloro-4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[8-[[1-cyclohexyl-3-(2,4,5-trifluorophenyl)pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;8-[(4-ethoxy-8-methoxynaphthalen-2-yl)methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;8-[[5-ethoxy-4-methyl-2-(4-methylpyrazol-1-yl)phenyl]methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;3-phenyl-8-[(3,3,7-trimethyl-2H-1-benzofuran-5-yl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 4-[8-[[1-tert-butyl-3-(2,3,4-trifluorophenyl)pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]-3-methylbenzoic acid;tris(carbon dioxide);4-[8-[[3-(3-chloro-4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[8-[[1-cyclohexyl-3-(2,4,5-trifluorophenyl)pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;8-[(4-ethoxy-8-methoxynaphthalen-2-yl)methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;8-[[5-ethoxy-4-methyl-2-(4-methylpyrazol-1-yl)phenyl]methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;3-phenyl-8-[(3,3,7-trimethyl-2H-1-benzofuran-5-yl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one (CID 159032254) is 4-[8-[[1-tert-butyl-3-(2,3,4-trifluorophenyl)pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]-3-methylbenzoic acid;tris(carbon dioxide);4-[8-[[3-(3-chloro-4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[8-[[1-cyclohexyl-3-(2,4,5-trifluorophenyl)pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;8-[(4-ethoxy-8-methoxynaphthalen-2-yl)methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;8-[[5-ethoxy-4-methyl-2-(4-methylpyrazol-1-yl)phenyl]methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;3-phenyl-8-[(3,3,7-trimethyl-2H-1-benzofuran-5-yl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 4-[8-[[1-tert-butyl-3-(2,3,4-trifluorophenyl)pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]-3-methylbenzoic acid;tris(carbon dioxide);4-[8-[[3-(3-chloro-4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[8-[[1-cyclohexyl-3-(2,4,5-trifluorophenyl)pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;8-[(4-ethoxy-8-methoxynaphthalen-2-yl)methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;8-[[5-ethoxy-4-methyl-2-(4-methylpyrazol-1-yl)phenyl]methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;3-phenyl-8-[(3,3,7-trimethyl-2H-1-benzofuran-5-yl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 4-[8-[[1-tert-butyl-3-(2,3,4-trifluorophenyl)pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]-3-methylbenzoic acid;tris(carbon dioxide);4-[8-[[3-(3-chloro-4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[8-[[1-cyclohexyl-3-(2,4,5-trifluorophenyl)pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;8-[(4-ethoxy-8-methoxynaphthalen-2-yl)methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;8-[[5-ethoxy-4-methyl-2-(4-methylpyrazol-1-yl)phenyl]methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;3-phenyl-8-[(3,3,7-trimethyl-2H-1-benzofuran-5-yl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one is CCOc1cc(CN2CCC3(CC2)CN(c2ccccc2)C(=O)O3)c(-n2cc(C)cn2)cc1C.CCOc1cc(CN2CCC3(CC2)CN(c2ccccc2)C(=O)O3)cc2c(OC)cccc12.Cc1cc(C(=O)O)ccc1N1CC2(CCN(Cc3cn(C(C)(C)C)nc3-c3ccc(F)c(F)c3F)CC2)OC1=O.Cc1cc(CN2CCC3(CC2)CN(c2ccccc2)C(=O)O3)cc2c1OCC2(C)C.O=C(O)c1ccc(N2CC3(CCN(Cc4cn(-c5ccccc5)nc4-c4ccc(F)c(Cl)c4)CC3)OC2=O)cc1.O=C(O)c1ccc(N2CC3(CCN(Cc4cn(C5CCCCC5)nc4-c4cc(F)c(F)cc4F)CC3)OC2=O)cc1.O=C=O.O=C=O.O=C=O.
What is the InChIKey of 4-[8-[[1-tert-butyl-3-(2,3,4-trifluorophenyl)pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]-3-methylbenzoic acid;tris(carbon dioxide);4-[8-[[3-(3-chloro-4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[8-[[1-cyclohexyl-3-(2,4,5-trifluorophenyl)pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;8-[(4-ethoxy-8-methoxynaphthalen-2-yl)methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;8-[[5-ethoxy-4-methyl-2-(4-methylpyrazol-1-yl)phenyl]methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;3-phenyl-8-[(3,3,7-trimethyl-2H-1-benzofuran-5-yl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The InChIKey is JVAJZSPQYZXXLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26ClFN4O4.C30H31F3N4O4.C29H31F3N4O4.C27H32N4O3.C27H30N2O4.C25H30N2O3.3CO2/c31-25-16-21(8-11-26(25)32)27-22(18-36(33-27)24-4-2-1-3-5-24)17-34-14-12-30(13-15-34)19-35(29(39)40-30)23-9-6-20(7-10-23)28(37)38;31-24-15-26(33)25(32)14-23(24)27-20(17-37(34-27)22-4-2-1-3-5-22)16-35-12-10-30(11-13-35)18-36(29(40)41-30)21-8-6-19(7-9-21)28(38)39;1-17-13-18(26(37)38)5-8-22(17)35-16-29(40-27(35)39)9-11-34(12-10-29)14-19-15-36(28(2,3)4)33-25(19)20-6-7-21(30)24(32)23(20)31;1-4-33-25-15-22(24(14-21(25)3)31-17-20(2)16-28-31)18-29-12-10-27(11-13-29)19-30(26(32)34-27)23-8-6-5-7-9-23;1-3-32-25-17-20(16-23-22(25)10-7-11-24(23)31-2)18-28-14-12-27(13-15-28)19-29(26(30)33-27)21-8-5-4-6-9-21;1-18-13-19(14-21-22(18)29-17-24(21,2)3)15-26-11-9-25(10-12-26)16-27(23(28)30-25)20-7-5-4-6-8-20;3*2-1-3/h1-11,16,18H,12-15,17,19H2,(H,37,38);6-9,14-15,17,22H,1-5,10-13,16,18H2,(H,38,39);5-8,13,15H,9-12,14,16H2,1-4H3,(H,37,38);5-9,14-17H,4,10-13,18-19H2,1-3H3;4-11,16-17H,3,12-15,18-19H2,1-2H3;4-8,13-14H,9-12,15-17H2,1-3H3;;;.
What are the key properties of 4-[8-[[1-tert-butyl-3-(2,3,4-trifluorophenyl)pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]-3-methylbenzoic acid;tris(carbon dioxide);4-[8-[[3-(3-chloro-4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[8-[[1-cyclohexyl-3-(2,4,5-trifluorophenyl)pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;8-[(4-ethoxy-8-methoxynaphthalen-2-yl)methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;8-[[5-ethoxy-4-methyl-2-(4-methylpyrazol-1-yl)phenyl]methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;3-phenyl-8-[(3,3,7-trimethyl-2H-1-benzofuran-5-yl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
4-[8-[[1-tert-butyl-3-(2,3,4-trifluorophenyl)pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]-3-methylbenzoic acid;tris(carbon dioxide);4-[8-[[3-(3-chloro-4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[8-[[1-cyclohexyl-3-(2,4,5-trifluorophenyl)pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;8-[(4-ethoxy-8-methoxynaphthalen-2-yl)methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;8-[[5-ethoxy-4-methyl-2-(4-methylpyrazol-1-yl)phenyl]methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;3-phenyl-8-[(3,3,7-trimethyl-2H-1-benzofuran-5-yl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one has a molecular weight of 3131.87 g/mol, XLogP of 30.93, 32 rotatable bonds, 3 hydrogen bond donors, and 39 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[8-[[1-tert-butyl-3-(2,3,4-trifluorophenyl)pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]-3-methylbenzoic acid;tris(carbon dioxide);4-[8-[[3-(3-chloro-4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[8-[[1-cyclohexyl-3-(2,4,5-trifluorophenyl)pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;8-[(4-ethoxy-8-methoxynaphthalen-2-yl)methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;8-[[5-ethoxy-4-methyl-2-(4-methylpyrazol-1-yl)phenyl]methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;3-phenyl-8-[(3,3,7-trimethyl-2H-1-benzofuran-5-yl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 159032254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).