About 4-[8-[[1-butyl-3-[(2,4,5-trifluorophenyl)methyl]pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;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]-2-fluorobenzoic acid;tris(carbon dioxide);8-[(5-chloro-4-ethoxy-8-methoxynaphthalen-2-yl)methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;8-[(6-chloro-4-ethoxy-8-methoxynaphthalen-2-yl)methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;8-[(4,8-dimethoxynaphthalen-2-yl)methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;4-[2-oxo-8-[[1-(2,2,2-trifluoroethyl)-3-(2,3,4-trifluorophenyl)pyrazol-4-yl]methyl]-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid
4-[8-[[1-butyl-3-[(2,4,5-trifluorophenyl)methyl]pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;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]-2-fluorobenzoic acid;tris(carbon dioxide);8-[(5-chloro-4-ethoxy-8-methoxynaphthalen-2-yl)methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;8-[(6-chloro-4-ethoxy-8-methoxynaphthalen-2-yl)methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;8-[(4,8-dimethoxynaphthalen-2-yl)methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;4-[2-oxo-8-[[1-(2,2,2-trifluoroethyl)-3-(2,3,4-trifluorophenyl)pyrazol-4-yl]methyl]-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid (PubChem CID 158088635) has the molecular formula C166H167Cl2F13N18O30
and a molecular weight of 3212.14 g/mol. Its IUPAC name is 4-[8-[[1-butyl-3-[(2,4,5-trifluorophenyl)methyl]pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;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]-2-fluorobenzoic acid;tris(carbon dioxide);8-[(5-chloro-4-ethoxy-8-methoxynaphthalen-2-yl)methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;8-[(6-chloro-4-ethoxy-8-methoxynaphthalen-2-yl)methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;8-[(4,8-dimethoxynaphthalen-2-yl)methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;4-[2-oxo-8-[[1-(2,2,2-trifluoroethyl)-3-(2,3,4-trifluorophenyl)pyrazol-4-yl]methyl]-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid.
Frequently Asked Questions
What is the IUPAC name of 4-[8-[[1-butyl-3-[(2,4,5-trifluorophenyl)methyl]pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;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]-2-fluorobenzoic acid;tris(carbon dioxide);8-[(5-chloro-4-ethoxy-8-methoxynaphthalen-2-yl)methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;8-[(6-chloro-4-ethoxy-8-methoxynaphthalen-2-yl)methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;8-[(4,8-dimethoxynaphthalen-2-yl)methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;4-[2-oxo-8-[[1-(2,2,2-trifluoroethyl)-3-(2,3,4-trifluorophenyl)pyrazol-4-yl]methyl]-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid?
The IUPAC name of 4-[8-[[1-butyl-3-[(2,4,5-trifluorophenyl)methyl]pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;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]-2-fluorobenzoic acid;tris(carbon dioxide);8-[(5-chloro-4-ethoxy-8-methoxynaphthalen-2-yl)methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;8-[(6-chloro-4-ethoxy-8-methoxynaphthalen-2-yl)methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;8-[(4,8-dimethoxynaphthalen-2-yl)methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;4-[2-oxo-8-[[1-(2,2,2-trifluoroethyl)-3-(2,3,4-trifluorophenyl)pyrazol-4-yl]methyl]-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid (CID 158088635) is 4-[8-[[1-butyl-3-[(2,4,5-trifluorophenyl)methyl]pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;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]-2-fluorobenzoic acid;tris(carbon dioxide);8-[(5-chloro-4-ethoxy-8-methoxynaphthalen-2-yl)methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;8-[(6-chloro-4-ethoxy-8-methoxynaphthalen-2-yl)methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;8-[(4,8-dimethoxynaphthalen-2-yl)methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;4-[2-oxo-8-[[1-(2,2,2-trifluoroethyl)-3-(2,3,4-trifluorophenyl)pyrazol-4-yl]methyl]-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid.
What is the SMILES notation for 4-[8-[[1-butyl-3-[(2,4,5-trifluorophenyl)methyl]pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;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]-2-fluorobenzoic acid;tris(carbon dioxide);8-[(5-chloro-4-ethoxy-8-methoxynaphthalen-2-yl)methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;8-[(6-chloro-4-ethoxy-8-methoxynaphthalen-2-yl)methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;8-[(4,8-dimethoxynaphthalen-2-yl)methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;4-[2-oxo-8-[[1-(2,2,2-trifluoroethyl)-3-(2,3,4-trifluorophenyl)pyrazol-4-yl]methyl]-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid?
The canonical SMILES for 4-[8-[[1-butyl-3-[(2,4,5-trifluorophenyl)methyl]pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;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]-2-fluorobenzoic acid;tris(carbon dioxide);8-[(5-chloro-4-ethoxy-8-methoxynaphthalen-2-yl)methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;8-[(6-chloro-4-ethoxy-8-methoxynaphthalen-2-yl)methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;8-[(4,8-dimethoxynaphthalen-2-yl)methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;4-[2-oxo-8-[[1-(2,2,2-trifluoroethyl)-3-(2,3,4-trifluorophenyl)pyrazol-4-yl]methyl]-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid is CC(C)(C)n1cc(CN2CCC3(CC2)CN(c2ccc(C(=O)O)c(F)c2)C(=O)O3)c(-c2ccc(F)c(F)c2F)n1.CCCCn1cc(CN2CCC3(CC2)CN(c2ccc(C(=O)O)cc2)C(=O)O3)c(Cc2cc(F)c(F)cc2F)n1.CCOc1cc(CN2CCC3(CC2)CN(c2ccccc2)C(=O)O3)cc2c(OC)cc(Cl)cc12.CCOc1cc(CN2CCC3(CC2)CN(c2ccccc2)C(=O)O3)cc2c(OC)ccc(Cl)c12.COc1cc(CN2CCC3(CC2)CN(c2ccccc2)C(=O)O3)cc2c(OC)cccc12.O=C(O)c1ccc(N2CC3(CCN(Cc4cn(CC(F)(F)F)nc4-c4ccc(F)c(F)c4F)CC3)OC2=O)cc1.O=C=O.O=C=O.O=C=O.
What is the InChIKey of 4-[8-[[1-butyl-3-[(2,4,5-trifluorophenyl)methyl]pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;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]-2-fluorobenzoic acid;tris(carbon dioxide);8-[(5-chloro-4-ethoxy-8-methoxynaphthalen-2-yl)methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;8-[(6-chloro-4-ethoxy-8-methoxynaphthalen-2-yl)methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;8-[(4,8-dimethoxynaphthalen-2-yl)methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;4-[2-oxo-8-[[1-(2,2,2-trifluoroethyl)-3-(2,3,4-trifluorophenyl)pyrazol-4-yl]methyl]-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid?
The InChIKey is FNUZJDZVWFDMEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31F3N4O4.C28H28F4N4O4.2C27H29ClN2O4.C26H22F6N4O4.C26H28N2O4.3CO2/c1-2-3-10-35-17-21(26(33-35)14-20-13-24(31)25(32)15-23(20)30)16-34-11-8-29(9-12-34)18-36(28(39)40-29)22-6-4-19(5-7-22)27(37)38;1-27(2,3)36-14-16(24(33-36)19-6-7-20(29)23(32)22(19)31)13-34-10-8-28(9-11-34)15-35(26(39)40-28)17-4-5-18(25(37)38)21(30)12-17;1-3-33-25-14-19(13-22-23(25)15-20(28)16-24(22)32-2)17-29-11-9-27(10-12-29)18-30(26(31)34-27)21-7-5-4-6-8-21;1-3-33-24-16-19(15-21-23(32-2)10-9-22(28)25(21)24)17-29-13-11-27(12-14-29)18-30(26(31)34-27)20-7-5-4-6-8-20;27-19-6-5-18(20(28)21(19)29)22-16(12-35(33-22)14-26(30,31)32)11-34-9-7-25(8-10-34)13-36(24(39)40-25)17-3-1-15(2-4-17)23(37)38;1-30-23-10-6-9-21-22(23)15-19(16-24(21)31-2)17-27-13-11-26(12-14-27)18-28(25(29)32-26)20-7-4-3-5-8-20;3*2-1-3/h4-7,13,15,17H,2-3,8-12,14,16,18H2,1H3,(H,37,38);4-7,12,14H,8-11,13,15H2,1-3H3,(H,37,38);4-8,13-16H,3,9-12,17-18H2,1-2H3;4-10,15-16H,3,11-14,17-18H2,1-2H3;1-6,12H,7-11,13-14H2,(H,37,38);3-10,15-16H,11-14,17-18H2,1-2H3;;;.
What are the key properties of 4-[8-[[1-butyl-3-[(2,4,5-trifluorophenyl)methyl]pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;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]-2-fluorobenzoic acid;tris(carbon dioxide);8-[(5-chloro-4-ethoxy-8-methoxynaphthalen-2-yl)methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;8-[(6-chloro-4-ethoxy-8-methoxynaphthalen-2-yl)methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;8-[(4,8-dimethoxynaphthalen-2-yl)methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;4-[2-oxo-8-[[1-(2,2,2-trifluoroethyl)-3-(2,3,4-trifluorophenyl)pyrazol-4-yl]methyl]-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid?
4-[8-[[1-butyl-3-[(2,4,5-trifluorophenyl)methyl]pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;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]-2-fluorobenzoic acid;tris(carbon dioxide);8-[(5-chloro-4-ethoxy-8-methoxynaphthalen-2-yl)methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;8-[(6-chloro-4-ethoxy-8-methoxynaphthalen-2-yl)methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;8-[(4,8-dimethoxynaphthalen-2-yl)methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;4-[2-oxo-8-[[1-(2,2,2-trifluoroethyl)-3-(2,3,4-trifluorophenyl)pyrazol-4-yl]methyl]-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid has a molecular weight of 3212.14 g/mol, XLogP of 31.03, 37 rotatable bonds, 3 hydrogen bond donors, and 39 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[8-[[1-butyl-3-[(2,4,5-trifluorophenyl)methyl]pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;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]-2-fluorobenzoic acid;tris(carbon dioxide);8-[(5-chloro-4-ethoxy-8-methoxynaphthalen-2-yl)methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;8-[(6-chloro-4-ethoxy-8-methoxynaphthalen-2-yl)methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;8-[(4,8-dimethoxynaphthalen-2-yl)methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;4-[2-oxo-8-[[1-(2,2,2-trifluoroethyl)-3-(2,3,4-trifluorophenyl)pyrazol-4-yl]methyl]-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid is sourced from PubChem (CID 158088635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).