tris(carbon dioxide);4-[8-[[1-(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)-3-(2,3,4-trifluorophenyl)pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;8-[[5-ethoxy-4-methyl-2-[6-(trifluoromethyl)-3-pyridinyl]phenyl]methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;8-[[5-ethoxy-4-methyl-2-(2,3,4-trifluorophenyl)phenyl]methyl]-3-(2-fluorophenyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one;4-[8-[[1-naphthalen-2-yl-3-(2,3,4-trifluorophenyl)pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;3-phenyl-8-[[6-(2,4,5-trifluorophenyl)-2,3-dihydro-1H-inden-5-yl]methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one

C157H147F16N15O22 — CID 158284750

About tris(carbon dioxide);4-[8-[[1-(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)-3-(2,3,4-trifluorophenyl)pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;8-[[5-ethoxy-4-methyl-2-[6-(trifluoromethyl)-3-pyridinyl]phenyl]methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;8-[[5-ethoxy-4-methyl-2-(2,3,4-trifluorophenyl)phenyl]methyl]-3-(2-fluorophenyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one;4-[8-[[1-naphthalen-2-yl-3-(2,3,4-trifluorophenyl)pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;3-phenyl-8-[[6-(2,4,5-trifluorophenyl)-2,3-dihydro-1H-inden-5-yl]methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one

tris(carbon dioxide);4-[8-[[1-(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)-3-(2,3,4-trifluorophenyl)pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;8-[[5-ethoxy-4-methyl-2-[6-(trifluoromethyl)-3-pyridinyl]phenyl]methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;8-[[5-ethoxy-4-methyl-2-(2,3,4-trifluorophenyl)phenyl]methyl]-3-(2-fluorophenyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one;4-[8-[[1-naphthalen-2-yl-3-(2,3,4-trifluorophenyl)pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;3-phenyl-8-[[6-(2,4,5-trifluorophenyl)-2,3-dihydro-1H-inden-5-yl]methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one (PubChem CID 158284750) has the molecular formula C157H147F16N15O22 and a molecular weight of 2899.95 g/mol. Its IUPAC name is tris(carbon dioxide);4-[8-[[1-(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)-3-(2,3,4-trifluorophenyl)pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;8-[[5-ethoxy-4-methyl-2-[6-(trifluoromethyl)-3-pyridinyl]phenyl]methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;8-[[5-ethoxy-4-methyl-2-(2,3,4-trifluorophenyl)phenyl]methyl]-3-(2-fluorophenyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one;4-[8-[[1-naphthalen-2-yl-3-(2,3,4-trifluorophenyl)pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;3-phenyl-8-[[6-(2,4,5-trifluorophenyl)-2,3-dihydro-1H-inden-5-yl]methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

• Compound Name: tris(carbon dioxide);4-[8-[[1-(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)-3-(2,3,4-trifluorophenyl)pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;8-[[5-ethoxy-4-methyl-2-[6-(trifluoromethyl)-3-pyridinyl]phenyl]methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;8-[[5-ethoxy-4-methyl-2-(2,3,4-trifluorophenyl)phenyl]methyl]-3-(2-fluorophenyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one;4-[8-[[1-naphthalen-2-yl-3-(2,3,4-trifluorophenyl)pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;3-phenyl-8-[[6-(2,4,5-trifluorophenyl)-2,3-dihydro-1H-inden-5-yl]methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
• PubChem CID: 158284750
• Molecular Formula: C157H147F16N15O22
• Molecular Weight: 2899.95 g/mol
• Exact Mass: 2898.06
• IUPAC Name: tris(carbon dioxide);4-[8-[[1-(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)-3-(2,3,4-trifluorophenyl)pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;8-[[5-ethoxy-4-methyl-2-[6-(trifluoromethyl)-3-pyridinyl]phenyl]methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;8-[[5-ethoxy-4-methyl-2-(2,3,4-trifluorophenyl)phenyl]methyl]-3-(2-fluorophenyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one;4-[8-[[1-naphthalen-2-yl-3-(2,3,4-trifluorophenyl)pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;3-phenyl-8-[[6-(2,4,5-trifluorophenyl)-2,3-dihydro-1H-inden-5-yl]methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
• SMILES: CC1(C)C2CCC(C2)C1n1cc(CN2CCC3(CC2)CN(c2ccc(C(=O)O)cc2)C(=O)O3)c(-c2ccc(F)c(F)c2F)n1.CCOc1cc(CN2CCC3(CC2)CN(c2ccccc2)C(=O)O3)c(-c2ccc(C(F)(F)F)nc2)cc1C.CCOc1cc(CN2CCC3(CC2)CN(c2ccccc2F)C(=O)O3)c(-c2ccc(F)c(F)c2F)cc1C.O=C(O)c1ccc(N2CC3(CCN(Cc4cn(-c5ccc6ccccc6c5)nc4-c4ccc(F)c(F)c4F)CC3)OC2=O)cc1.O=C1OC2(CCN(Cc3cc4c(cc3-c3cc(F)c(F)cc3F)CCC4)CC2)CN1c1ccccc1.O=C=O.O=C=O.O=C=O
• InChI: InChI=1S/C34H27F3N4O4.C33H35F3N4O4.C29H28F4N2O3.C29H30F3N3O3.C29H27F3N2O2.3CO2/c35-28-12-11-27(29(36)30(28)37)31-24(19-41(38-31)26-10-5-21-3-1-2-4-23(21)17-26)18-39-15-13-34(14-16-39)20-40(33(44)45-34)25-8-6-22(7-9-25)32(42)43;1-32(2)22-6-3-20(15-22)29(32)40-17-21(28(37-40)24-9-10-25(34)27(36)26(24)35)16-38-13-11-33(12-14-38)18-39(31(43)44-33)23-7-4-19(5-8-23)30(41)42;1-3-37-25-15-19(21(14-18(25)2)20-8-9-23(31)27(33)26(20)32)16-34-12-10-29(11-13-34)17-35(28(36)38-29)24-7-5-4-6-22(24)30;1-3-37-25-16-22(24(15-20(25)2)21-9-10-26(33-17-21)29(30,31)32)18-34-13-11-28(12-14-34)19-35(27(36)38-28)23-7-5-4-6-8-23;30-25-16-27(32)26(31)15-24(25)23-14-20-6-4-5-19(20)13-21(23)17-33-11-9-29(10-12-33)18-34(28(35)36-29)22-7-2-1-3-8-22;3*2-1-3/h1-12,17,19H,13-16,18,20H2,(H,42,43);4-5,7-10,17,20,22,29H,3,6,11-16,18H2,1-2H3,(H,41,42);4-9,14-15H,3,10-13,16-17H2,1-2H3;4-10,15-17H,3,11-14,18-19H2,1-2H3;1-3,7-8,13-16H,4-6,9-12,17-18H2
• InChIKey: GKQHGSUENAFCJK-UHFFFAOYSA-N
• XLogP: 31.03
• TPSA: 407.91 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 30
• Rotatable Bonds: 28
• Heavy Atoms: 210
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2899.95
LogP ≤ 5	31.03
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', '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-(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)-3-(2,3,4-trifluorophenyl)pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;8-[[5-ethoxy-4-methyl-2-[6-(trifluoromethyl)-3-pyridinyl]phenyl]methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;8-[[5-ethoxy-4-methyl-2-(2,3,4-trifluorophenyl)phenyl]methyl]-3-(2-fluorophenyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one;4-[8-[[1-naphthalen-2-yl-3-(2,3,4-trifluorophenyl)pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;3-phenyl-8-[[6-(2,4,5-trifluorophenyl)-2,3-dihydro-1H-inden-5-yl]methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?

The IUPAC name of tris(carbon dioxide);4-[8-[[1-(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)-3-(2,3,4-trifluorophenyl)pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;8-[[5-ethoxy-4-methyl-2-[6-(trifluoromethyl)-3-pyridinyl]phenyl]methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;8-[[5-ethoxy-4-methyl-2-(2,3,4-trifluorophenyl)phenyl]methyl]-3-(2-fluorophenyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one;4-[8-[[1-naphthalen-2-yl-3-(2,3,4-trifluorophenyl)pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;3-phenyl-8-[[6-(2,4,5-trifluorophenyl)-2,3-dihydro-1H-inden-5-yl]methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one (CID 158284750) is tris(carbon dioxide);4-[8-[[1-(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)-3-(2,3,4-trifluorophenyl)pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;8-[[5-ethoxy-4-methyl-2-[6-(trifluoromethyl)-3-pyridinyl]phenyl]methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;8-[[5-ethoxy-4-methyl-2-(2,3,4-trifluorophenyl)phenyl]methyl]-3-(2-fluorophenyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one;4-[8-[[1-naphthalen-2-yl-3-(2,3,4-trifluorophenyl)pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;3-phenyl-8-[[6-(2,4,5-trifluorophenyl)-2,3-dihydro-1H-inden-5-yl]methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one.

What is the SMILES notation for tris(carbon dioxide);4-[8-[[1-(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)-3-(2,3,4-trifluorophenyl)pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;8-[[5-ethoxy-4-methyl-2-[6-(trifluoromethyl)-3-pyridinyl]phenyl]methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;8-[[5-ethoxy-4-methyl-2-(2,3,4-trifluorophenyl)phenyl]methyl]-3-(2-fluorophenyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one;4-[8-[[1-naphthalen-2-yl-3-(2,3,4-trifluorophenyl)pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;3-phenyl-8-[[6-(2,4,5-trifluorophenyl)-2,3-dihydro-1H-inden-5-yl]methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?

The canonical SMILES for tris(carbon dioxide);4-[8-[[1-(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)-3-(2,3,4-trifluorophenyl)pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;8-[[5-ethoxy-4-methyl-2-[6-(trifluoromethyl)-3-pyridinyl]phenyl]methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;8-[[5-ethoxy-4-methyl-2-(2,3,4-trifluorophenyl)phenyl]methyl]-3-(2-fluorophenyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one;4-[8-[[1-naphthalen-2-yl-3-(2,3,4-trifluorophenyl)pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;3-phenyl-8-[[6-(2,4,5-trifluorophenyl)-2,3-dihydro-1H-inden-5-yl]methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one is CC1(C)C2CCC(C2)C1n1cc(CN2CCC3(CC2)CN(c2ccc(C(=O)O)cc2)C(=O)O3)c(-c2ccc(F)c(F)c2F)n1.CCOc1cc(CN2CCC3(CC2)CN(c2ccccc2)C(=O)O3)c(-c2ccc(C(F)(F)F)nc2)cc1C.CCOc1cc(CN2CCC3(CC2)CN(c2ccccc2F)C(=O)O3)c(-c2ccc(F)c(F)c2F)cc1C.O=C(O)c1ccc(N2CC3(CCN(Cc4cn(-c5ccc6ccccc6c5)nc4-c4ccc(F)c(F)c4F)CC3)OC2=O)cc1.O=C1OC2(CCN(Cc3cc4c(cc3-c3cc(F)c(F)cc3F)CCC4)CC2)CN1c1ccccc1.O=C=O.O=C=O.O=C=O.

What is the InChIKey of tris(carbon dioxide);4-[8-[[1-(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)-3-(2,3,4-trifluorophenyl)pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;8-[[5-ethoxy-4-methyl-2-[6-(trifluoromethyl)-3-pyridinyl]phenyl]methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;8-[[5-ethoxy-4-methyl-2-(2,3,4-trifluorophenyl)phenyl]methyl]-3-(2-fluorophenyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one;4-[8-[[1-naphthalen-2-yl-3-(2,3,4-trifluorophenyl)pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;3-phenyl-8-[[6-(2,4,5-trifluorophenyl)-2,3-dihydro-1H-inden-5-yl]methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?

The InChIKey is GKQHGSUENAFCJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H27F3N4O4.C33H35F3N4O4.C29H28F4N2O3.C29H30F3N3O3.C29H27F3N2O2.3CO2/c35-28-12-11-27(29(36)30(28)37)31-24(19-41(38-31)26-10-5-21-3-1-2-4-23(21)17-26)18-39-15-13-34(14-16-39)20-40(33(44)45-34)25-8-6-22(7-9-25)32(42)43;1-32(2)22-6-3-20(15-22)29(32)40-17-21(28(37-40)24-9-10-25(34)27(36)26(24)35)16-38-13-11-33(12-14-38)18-39(31(43)44-33)23-7-4-19(5-8-23)30(41)42;1-3-37-25-15-19(21(14-18(25)2)20-8-9-23(31)27(33)26(20)32)16-34-12-10-29(11-13-34)17-35(28(36)38-29)24-7-5-4-6-22(24)30;1-3-37-25-16-22(24(15-20(25)2)21-9-10-26(33-17-21)29(30,31)32)18-34-13-11-28(12-14-34)19-35(27(36)38-28)23-7-5-4-6-8-23;30-25-16-27(32)26(31)15-24(25)23-14-20-6-4-5-19(20)13-21(23)17-33-11-9-29(10-12-33)18-34(28(35)36-29)22-7-2-1-3-8-22;3*2-1-3/h1-12,17,19H,13-16,18,20H2,(H,42,43);4-5,7-10,17,20,22,29H,3,6,11-16,18H2,1-2H3,(H,41,42);4-9,14-15H,3,10-13,16-17H2,1-2H3;4-10,15-17H,3,11-14,18-19H2,1-2H3;1-3,7-8,13-16H,4-6,9-12,17-18H2;;;.

What are the key properties of tris(carbon dioxide);4-[8-[[1-(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)-3-(2,3,4-trifluorophenyl)pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;8-[[5-ethoxy-4-methyl-2-[6-(trifluoromethyl)-3-pyridinyl]phenyl]methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;8-[[5-ethoxy-4-methyl-2-(2,3,4-trifluorophenyl)phenyl]methyl]-3-(2-fluorophenyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one;4-[8-[[1-naphthalen-2-yl-3-(2,3,4-trifluorophenyl)pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;3-phenyl-8-[[6-(2,4,5-trifluorophenyl)-2,3-dihydro-1H-inden-5-yl]methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?

tris(carbon dioxide);4-[8-[[1-(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)-3-(2,3,4-trifluorophenyl)pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;8-[[5-ethoxy-4-methyl-2-[6-(trifluoromethyl)-3-pyridinyl]phenyl]methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;8-[[5-ethoxy-4-methyl-2-(2,3,4-trifluorophenyl)phenyl]methyl]-3-(2-fluorophenyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one;4-[8-[[1-naphthalen-2-yl-3-(2,3,4-trifluorophenyl)pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;3-phenyl-8-[[6-(2,4,5-trifluorophenyl)-2,3-dihydro-1H-inden-5-yl]methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one has a molecular weight of 2899.95 g/mol, XLogP of 31.03, 28 rotatable bonds, 2 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for tris(carbon dioxide);4-[8-[[1-(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)-3-(2,3,4-trifluorophenyl)pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;8-[[5-ethoxy-4-methyl-2-[6-(trifluoromethyl)-3-pyridinyl]phenyl]methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;8-[[5-ethoxy-4-methyl-2-(2,3,4-trifluorophenyl)phenyl]methyl]-3-(2-fluorophenyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one;4-[8-[[1-naphthalen-2-yl-3-(2,3,4-trifluorophenyl)pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;3-phenyl-8-[[6-(2,4,5-trifluorophenyl)-2,3-dihydro-1H-inden-5-yl]methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 158284750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).