tris(carbon dioxide);4-[8-[[1-cyclohexyl-3-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[8-[[1-cyclopropyl-3-(4-methoxyphenyl)pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;8-[[2-(3,4-difluorophenyl)-5-ethoxyphenyl]methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;8-[[5-ethoxy-2-(2,3,4-trifluorophenyl)phenyl]methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;3-phenyl-8-[[5-propan-2-yloxy-2-(2,3,4-trifluorophenyl)phenyl]methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one

C147H147F11N14O24 — CID 159650284

About tris(carbon dioxide);4-[8-[[1-cyclohexyl-3-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[8-[[1-cyclopropyl-3-(4-methoxyphenyl)pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;8-[[2-(3,4-difluorophenyl)-5-ethoxyphenyl]methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;8-[[5-ethoxy-2-(2,3,4-trifluorophenyl)phenyl]methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;3-phenyl-8-[[5-propan-2-yloxy-2-(2,3,4-trifluorophenyl)phenyl]methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one

tris(carbon dioxide);4-[8-[[1-cyclohexyl-3-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[8-[[1-cyclopropyl-3-(4-methoxyphenyl)pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;8-[[2-(3,4-difluorophenyl)-5-ethoxyphenyl]methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;8-[[5-ethoxy-2-(2,3,4-trifluorophenyl)phenyl]methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;3-phenyl-8-[[5-propan-2-yloxy-2-(2,3,4-trifluorophenyl)phenyl]methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one (PubChem CID 159650284) has the molecular formula C147H147F11N14O24 and a molecular weight of 2702.84 g/mol. Its IUPAC name is tris(carbon dioxide);4-[8-[[1-cyclohexyl-3-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[8-[[1-cyclopropyl-3-(4-methoxyphenyl)pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;8-[[2-(3,4-difluorophenyl)-5-ethoxyphenyl]methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;8-[[5-ethoxy-2-(2,3,4-trifluorophenyl)phenyl]methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;3-phenyl-8-[[5-propan-2-yloxy-2-(2,3,4-trifluorophenyl)phenyl]methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

• Compound Name: tris(carbon dioxide);4-[8-[[1-cyclohexyl-3-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[8-[[1-cyclopropyl-3-(4-methoxyphenyl)pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;8-[[2-(3,4-difluorophenyl)-5-ethoxyphenyl]methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;8-[[5-ethoxy-2-(2,3,4-trifluorophenyl)phenyl]methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;3-phenyl-8-[[5-propan-2-yloxy-2-(2,3,4-trifluorophenyl)phenyl]methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
• PubChem CID: 159650284
• Molecular Formula: C147H147F11N14O24
• Molecular Weight: 2702.84 g/mol
• Exact Mass: 2701.05
• IUPAC Name: tris(carbon dioxide);4-[8-[[1-cyclohexyl-3-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[8-[[1-cyclopropyl-3-(4-methoxyphenyl)pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;8-[[2-(3,4-difluorophenyl)-5-ethoxyphenyl]methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;8-[[5-ethoxy-2-(2,3,4-trifluorophenyl)phenyl]methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;3-phenyl-8-[[5-propan-2-yloxy-2-(2,3,4-trifluorophenyl)phenyl]methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
• SMILES: CC(C)Oc1ccc(-c2ccc(F)c(F)c2F)c(CN2CCC3(CC2)CN(c2ccccc2)C(=O)O3)c1.CCOc1ccc(-c2ccc(F)c(F)c2)c(CN2CCC3(CC2)CN(c2ccccc2)C(=O)O3)c1.CCOc1ccc(-c2ccc(F)c(F)c2F)c(CN2CCC3(CC2)CN(c2ccccc2)C(=O)O3)c1.COc1ccc(-c2nn(C3CC3)cc2CN2CCC3(CC2)CN(c2ccc(C(=O)O)cc2)C(=O)O3)cc1.O=C(O)c1ccc(N2CC3(CCN(Cc4cn(C5CCCCC5)nc4-c4cccc(C(F)(F)F)c4)CC3)OC2=O)cc1.O=C=O.O=C=O.O=C=O
• InChI: InChI=1S/C31H33F3N4O4.C29H29F3N2O3.C28H27F3N2O3.C28H28F2N2O3.C28H30N4O5.3CO2/c32-31(33,34)24-6-4-5-22(17-24)27-23(19-38(35-27)26-7-2-1-3-8-26)18-36-15-13-30(14-16-36)20-37(29(41)42-30)25-11-9-21(10-12-25)28(39)40;1-19(2)36-22-8-9-23(24-10-11-25(30)27(32)26(24)31)20(16-22)17-33-14-12-29(13-15-33)18-34(28(35)37-29)21-6-4-3-5-7-21;1-2-35-21-8-9-22(23-10-11-24(29)26(31)25(23)30)19(16-21)17-32-14-12-28(13-15-32)18-33(27(34)36-28)20-6-4-3-5-7-20;1-2-34-23-9-10-24(20-8-11-25(29)26(30)17-20)21(16-23)18-31-14-12-28(13-15-31)19-32(27(33)35-28)22-6-4-3-5-7-22;1-36-24-10-4-19(5-11-24)25-21(17-32(29-25)23-8-9-23)16-30-14-12-28(13-15-30)18-31(27(35)37-28)22-6-2-20(3-7-22)26(33)34;3*2-1-3/h4-6,9-12,17,19,26H,1-3,7-8,13-16,18,20H2,(H,39,40);3-11,16,19H,12-15,17-18H2,1-2H3;3-11,16H,2,12-15,17-18H2,1H3;3-11,16-17H,2,12-15,18-19H2,1H3;2-7,10-11,17,23H,8-9,12-16,18H2,1H3,(H,33,34)
• InChIKey: MRLZSYNQIWBHGG-UHFFFAOYSA-N
• XLogP: 28.33
• TPSA: 413.48 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 31
• Rotatable Bonds: 31
• Heavy Atoms: 196
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2702.84
LogP ≤ 5	28.33
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	31

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tris(carbon dioxide);4-[8-[[1-cyclohexyl-3-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[8-[[1-cyclopropyl-3-(4-methoxyphenyl)pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;8-[[2-(3,4-difluorophenyl)-5-ethoxyphenyl]methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;8-[[5-ethoxy-2-(2,3,4-trifluorophenyl)phenyl]methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;3-phenyl-8-[[5-propan-2-yloxy-2-(2,3,4-trifluorophenyl)phenyl]methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?

The IUPAC name of tris(carbon dioxide);4-[8-[[1-cyclohexyl-3-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[8-[[1-cyclopropyl-3-(4-methoxyphenyl)pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;8-[[2-(3,4-difluorophenyl)-5-ethoxyphenyl]methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;8-[[5-ethoxy-2-(2,3,4-trifluorophenyl)phenyl]methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;3-phenyl-8-[[5-propan-2-yloxy-2-(2,3,4-trifluorophenyl)phenyl]methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one (CID 159650284) is tris(carbon dioxide);4-[8-[[1-cyclohexyl-3-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[8-[[1-cyclopropyl-3-(4-methoxyphenyl)pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;8-[[2-(3,4-difluorophenyl)-5-ethoxyphenyl]methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;8-[[5-ethoxy-2-(2,3,4-trifluorophenyl)phenyl]methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;3-phenyl-8-[[5-propan-2-yloxy-2-(2,3,4-trifluorophenyl)phenyl]methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one.

What is the SMILES notation for tris(carbon dioxide);4-[8-[[1-cyclohexyl-3-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[8-[[1-cyclopropyl-3-(4-methoxyphenyl)pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;8-[[2-(3,4-difluorophenyl)-5-ethoxyphenyl]methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;8-[[5-ethoxy-2-(2,3,4-trifluorophenyl)phenyl]methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;3-phenyl-8-[[5-propan-2-yloxy-2-(2,3,4-trifluorophenyl)phenyl]methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?

The canonical SMILES for tris(carbon dioxide);4-[8-[[1-cyclohexyl-3-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[8-[[1-cyclopropyl-3-(4-methoxyphenyl)pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;8-[[2-(3,4-difluorophenyl)-5-ethoxyphenyl]methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;8-[[5-ethoxy-2-(2,3,4-trifluorophenyl)phenyl]methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;3-phenyl-8-[[5-propan-2-yloxy-2-(2,3,4-trifluorophenyl)phenyl]methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one is CC(C)Oc1ccc(-c2ccc(F)c(F)c2F)c(CN2CCC3(CC2)CN(c2ccccc2)C(=O)O3)c1.CCOc1ccc(-c2ccc(F)c(F)c2)c(CN2CCC3(CC2)CN(c2ccccc2)C(=O)O3)c1.CCOc1ccc(-c2ccc(F)c(F)c2F)c(CN2CCC3(CC2)CN(c2ccccc2)C(=O)O3)c1.COc1ccc(-c2nn(C3CC3)cc2CN2CCC3(CC2)CN(c2ccc(C(=O)O)cc2)C(=O)O3)cc1.O=C(O)c1ccc(N2CC3(CCN(Cc4cn(C5CCCCC5)nc4-c4cccc(C(F)(F)F)c4)CC3)OC2=O)cc1.O=C=O.O=C=O.O=C=O.

What is the InChIKey of tris(carbon dioxide);4-[8-[[1-cyclohexyl-3-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[8-[[1-cyclopropyl-3-(4-methoxyphenyl)pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;8-[[2-(3,4-difluorophenyl)-5-ethoxyphenyl]methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;8-[[5-ethoxy-2-(2,3,4-trifluorophenyl)phenyl]methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;3-phenyl-8-[[5-propan-2-yloxy-2-(2,3,4-trifluorophenyl)phenyl]methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?

The InChIKey is MRLZSYNQIWBHGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H33F3N4O4.C29H29F3N2O3.C28H27F3N2O3.C28H28F2N2O3.C28H30N4O5.3CO2/c32-31(33,34)24-6-4-5-22(17-24)27-23(19-38(35-27)26-7-2-1-3-8-26)18-36-15-13-30(14-16-36)20-37(29(41)42-30)25-11-9-21(10-12-25)28(39)40;1-19(2)36-22-8-9-23(24-10-11-25(30)27(32)26(24)31)20(16-22)17-33-14-12-29(13-15-33)18-34(28(35)37-29)21-6-4-3-5-7-21;1-2-35-21-8-9-22(23-10-11-24(29)26(31)25(23)30)19(16-21)17-32-14-12-28(13-15-32)18-33(27(34)36-28)20-6-4-3-5-7-20;1-2-34-23-9-10-24(20-8-11-25(29)26(30)17-20)21(16-23)18-31-14-12-28(13-15-31)19-32(27(33)35-28)22-6-4-3-5-7-22;1-36-24-10-4-19(5-11-24)25-21(17-32(29-25)23-8-9-23)16-30-14-12-28(13-15-30)18-31(27(35)37-28)22-6-2-20(3-7-22)26(33)34;3*2-1-3/h4-6,9-12,17,19,26H,1-3,7-8,13-16,18,20H2,(H,39,40);3-11,16,19H,12-15,17-18H2,1-2H3;3-11,16H,2,12-15,17-18H2,1H3;3-11,16-17H,2,12-15,18-19H2,1H3;2-7,10-11,17,23H,8-9,12-16,18H2,1H3,(H,33,34);;;.

What are the key properties of tris(carbon dioxide);4-[8-[[1-cyclohexyl-3-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[8-[[1-cyclopropyl-3-(4-methoxyphenyl)pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;8-[[2-(3,4-difluorophenyl)-5-ethoxyphenyl]methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;8-[[5-ethoxy-2-(2,3,4-trifluorophenyl)phenyl]methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;3-phenyl-8-[[5-propan-2-yloxy-2-(2,3,4-trifluorophenyl)phenyl]methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?

tris(carbon dioxide);4-[8-[[1-cyclohexyl-3-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[8-[[1-cyclopropyl-3-(4-methoxyphenyl)pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;8-[[2-(3,4-difluorophenyl)-5-ethoxyphenyl]methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;8-[[5-ethoxy-2-(2,3,4-trifluorophenyl)phenyl]methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;3-phenyl-8-[[5-propan-2-yloxy-2-(2,3,4-trifluorophenyl)phenyl]methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one has a molecular weight of 2702.84 g/mol, XLogP of 28.33, 31 rotatable bonds, 2 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for tris(carbon dioxide);4-[8-[[1-cyclohexyl-3-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[8-[[1-cyclopropyl-3-(4-methoxyphenyl)pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;8-[[2-(3,4-difluorophenyl)-5-ethoxyphenyl]methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;8-[[5-ethoxy-2-(2,3,4-trifluorophenyl)phenyl]methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;3-phenyl-8-[[5-propan-2-yloxy-2-(2,3,4-trifluorophenyl)phenyl]methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 159650284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).