4-[8-[[1-tert-butyl-3-(2,4,5-trifluorophenyl)pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[8-[[1-tert-butyl-3-(2,4,6-trifluorophenyl)pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;bis(carbon dioxide);4-[8-[[3,5-diethoxy-4-(4-fluorophenyl)phenyl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]-3-fluorobenzoic acid;8-[[5-ethoxy-2-(2,4,5-trifluorophenyl)phenyl]methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;8-[[6-ethoxy-3-(2,3,4-trifluorophenyl)-2-pyridinyl]methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one

C144H143F14N15O24 — CID 159540637

About 4-[8-[[1-tert-butyl-3-(2,4,5-trifluorophenyl)pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[8-[[1-tert-butyl-3-(2,4,6-trifluorophenyl)pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;bis(carbon dioxide);4-[8-[[3,5-diethoxy-4-(4-fluorophenyl)phenyl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]-3-fluorobenzoic acid;8-[[5-ethoxy-2-(2,4,5-trifluorophenyl)phenyl]methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;8-[[6-ethoxy-3-(2,3,4-trifluorophenyl)-2-pyridinyl]methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one

4-[8-[[1-tert-butyl-3-(2,4,5-trifluorophenyl)pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[8-[[1-tert-butyl-3-(2,4,6-trifluorophenyl)pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;bis(carbon dioxide);4-[8-[[3,5-diethoxy-4-(4-fluorophenyl)phenyl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]-3-fluorobenzoic acid;8-[[5-ethoxy-2-(2,4,5-trifluorophenyl)phenyl]methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;8-[[6-ethoxy-3-(2,3,4-trifluorophenyl)-2-pyridinyl]methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one (PubChem CID 159540637) has the molecular formula C144H143F14N15O24 and a molecular weight of 2733.78 g/mol. Its IUPAC name is 4-[8-[[1-tert-butyl-3-(2,4,5-trifluorophenyl)pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[8-[[1-tert-butyl-3-(2,4,6-trifluorophenyl)pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;bis(carbon dioxide);4-[8-[[3,5-diethoxy-4-(4-fluorophenyl)phenyl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]-3-fluorobenzoic acid;8-[[5-ethoxy-2-(2,4,5-trifluorophenyl)phenyl]methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;8-[[6-ethoxy-3-(2,3,4-trifluorophenyl)-2-pyridinyl]methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

• Compound Name: 4-[8-[[1-tert-butyl-3-(2,4,5-trifluorophenyl)pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[8-[[1-tert-butyl-3-(2,4,6-trifluorophenyl)pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;bis(carbon dioxide);4-[8-[[3,5-diethoxy-4-(4-fluorophenyl)phenyl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]-3-fluorobenzoic acid;8-[[5-ethoxy-2-(2,4,5-trifluorophenyl)phenyl]methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;8-[[6-ethoxy-3-(2,3,4-trifluorophenyl)-2-pyridinyl]methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
• PubChem CID: 159540637
• Molecular Formula: C144H143F14N15O24
• Molecular Weight: 2733.78 g/mol
• Exact Mass: 2732.02
• IUPAC Name: 4-[8-[[1-tert-butyl-3-(2,4,5-trifluorophenyl)pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[8-[[1-tert-butyl-3-(2,4,6-trifluorophenyl)pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;bis(carbon dioxide);4-[8-[[3,5-diethoxy-4-(4-fluorophenyl)phenyl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]-3-fluorobenzoic acid;8-[[5-ethoxy-2-(2,4,5-trifluorophenyl)phenyl]methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;8-[[6-ethoxy-3-(2,3,4-trifluorophenyl)-2-pyridinyl]methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
• SMILES: CC(C)(C)n1cc(CN2CCC3(CC2)CN(c2ccc(C(=O)O)cc2)C(=O)O3)c(-c2c(F)cc(F)cc2F)n1.CC(C)(C)n1cc(CN2CCC3(CC2)CN(c2ccc(C(=O)O)cc2)C(=O)O3)c(-c2cc(F)c(F)cc2F)n1.CCOc1cc(CN2CCC3(CC2)CN(c2ccc(C(=O)O)cc2F)C(=O)O3)cc(OCC)c1-c1ccc(F)cc1.CCOc1ccc(-c2cc(F)c(F)cc2F)c(CN2CCC3(CC2)CN(c2ccccc2)C(=O)O3)c1.CCOc1ccc(-c2ccc(F)c(F)c2F)c(CN2CCC3(CC2)CN(c2ccccc2)C(=O)O3)n1.O=C=O.O=C=O
• InChI: InChI=1S/C31H32F2N2O6.2C28H29F3N4O4.C28H27F3N2O3.C27H26F3N3O3.2CO2/c1-3-39-26-15-20(16-27(40-4-2)28(26)21-5-8-23(32)9-6-21)18-34-13-11-31(12-14-34)19-35(30(38)41-31)25-10-7-22(29(36)37)17-24(25)33;1-27(2,3)35-15-18(24(32-35)23-21(30)12-19(29)13-22(23)31)14-33-10-8-28(9-11-33)16-34(26(38)39-28)20-6-4-17(5-7-20)25(36)37;1-27(2,3)35-15-18(24(32-35)20-12-22(30)23(31)13-21(20)29)14-33-10-8-28(9-11-33)16-34(26(38)39-28)19-6-4-17(5-7-19)25(36)37;1-2-35-21-8-9-22(23-15-25(30)26(31)16-24(23)29)19(14-21)17-32-12-10-28(11-13-32)18-33(27(34)36-28)20-6-4-3-5-7-20;1-2-35-23-11-9-19(20-8-10-21(28)25(30)24(20)29)22(31-23)16-32-14-12-27(13-15-32)17-33(26(34)36-27)18-6-4-3-5-7-18;2*2-1-3/h5-10,15-17H,3-4,11-14,18-19H2,1-2H3,(H,36,37);2*4-7,12-13,15H,8-11,14,16H2,1-3H3,(H,36,37);3-9,14-16H,2,10-13,17-18H2,1H3;3-11H,2,12-17H2,1H3
• InChIKey: MEDSLIKVLUPZNK-UHFFFAOYSA-N
• XLogP: 27.49
• TPSA: 429.53 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 31
• Rotatable Bonds: 31
• Heavy Atoms: 197
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2733.78
LogP ≤ 5	27.49
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	31

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 4-[8-[[1-tert-butyl-3-(2,4,5-trifluorophenyl)pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[8-[[1-tert-butyl-3-(2,4,6-trifluorophenyl)pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;bis(carbon dioxide);4-[8-[[3,5-diethoxy-4-(4-fluorophenyl)phenyl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]-3-fluorobenzoic acid;8-[[5-ethoxy-2-(2,4,5-trifluorophenyl)phenyl]methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;8-[[6-ethoxy-3-(2,3,4-trifluorophenyl)-2-pyridinyl]methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?

The IUPAC name of 4-[8-[[1-tert-butyl-3-(2,4,5-trifluorophenyl)pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[8-[[1-tert-butyl-3-(2,4,6-trifluorophenyl)pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;bis(carbon dioxide);4-[8-[[3,5-diethoxy-4-(4-fluorophenyl)phenyl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]-3-fluorobenzoic acid;8-[[5-ethoxy-2-(2,4,5-trifluorophenyl)phenyl]methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;8-[[6-ethoxy-3-(2,3,4-trifluorophenyl)-2-pyridinyl]methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one (CID 159540637) is 4-[8-[[1-tert-butyl-3-(2,4,5-trifluorophenyl)pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[8-[[1-tert-butyl-3-(2,4,6-trifluorophenyl)pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;bis(carbon dioxide);4-[8-[[3,5-diethoxy-4-(4-fluorophenyl)phenyl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]-3-fluorobenzoic acid;8-[[5-ethoxy-2-(2,4,5-trifluorophenyl)phenyl]methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;8-[[6-ethoxy-3-(2,3,4-trifluorophenyl)-2-pyridinyl]methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one.

What is the SMILES notation for 4-[8-[[1-tert-butyl-3-(2,4,5-trifluorophenyl)pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[8-[[1-tert-butyl-3-(2,4,6-trifluorophenyl)pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;bis(carbon dioxide);4-[8-[[3,5-diethoxy-4-(4-fluorophenyl)phenyl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]-3-fluorobenzoic acid;8-[[5-ethoxy-2-(2,4,5-trifluorophenyl)phenyl]methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;8-[[6-ethoxy-3-(2,3,4-trifluorophenyl)-2-pyridinyl]methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?

The canonical SMILES for 4-[8-[[1-tert-butyl-3-(2,4,5-trifluorophenyl)pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[8-[[1-tert-butyl-3-(2,4,6-trifluorophenyl)pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;bis(carbon dioxide);4-[8-[[3,5-diethoxy-4-(4-fluorophenyl)phenyl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]-3-fluorobenzoic acid;8-[[5-ethoxy-2-(2,4,5-trifluorophenyl)phenyl]methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;8-[[6-ethoxy-3-(2,3,4-trifluorophenyl)-2-pyridinyl]methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one is CC(C)(C)n1cc(CN2CCC3(CC2)CN(c2ccc(C(=O)O)cc2)C(=O)O3)c(-c2c(F)cc(F)cc2F)n1.CC(C)(C)n1cc(CN2CCC3(CC2)CN(c2ccc(C(=O)O)cc2)C(=O)O3)c(-c2cc(F)c(F)cc2F)n1.CCOc1cc(CN2CCC3(CC2)CN(c2ccc(C(=O)O)cc2F)C(=O)O3)cc(OCC)c1-c1ccc(F)cc1.CCOc1ccc(-c2cc(F)c(F)cc2F)c(CN2CCC3(CC2)CN(c2ccccc2)C(=O)O3)c1.CCOc1ccc(-c2ccc(F)c(F)c2F)c(CN2CCC3(CC2)CN(c2ccccc2)C(=O)O3)n1.O=C=O.O=C=O.

What is the InChIKey of 4-[8-[[1-tert-butyl-3-(2,4,5-trifluorophenyl)pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[8-[[1-tert-butyl-3-(2,4,6-trifluorophenyl)pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;bis(carbon dioxide);4-[8-[[3,5-diethoxy-4-(4-fluorophenyl)phenyl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]-3-fluorobenzoic acid;8-[[5-ethoxy-2-(2,4,5-trifluorophenyl)phenyl]methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;8-[[6-ethoxy-3-(2,3,4-trifluorophenyl)-2-pyridinyl]methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?

The InChIKey is MEDSLIKVLUPZNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H32F2N2O6.2C28H29F3N4O4.C28H27F3N2O3.C27H26F3N3O3.2CO2/c1-3-39-26-15-20(16-27(40-4-2)28(26)21-5-8-23(32)9-6-21)18-34-13-11-31(12-14-34)19-35(30(38)41-31)25-10-7-22(29(36)37)17-24(25)33;1-27(2,3)35-15-18(24(32-35)23-21(30)12-19(29)13-22(23)31)14-33-10-8-28(9-11-33)16-34(26(38)39-28)20-6-4-17(5-7-20)25(36)37;1-27(2,3)35-15-18(24(32-35)20-12-22(30)23(31)13-21(20)29)14-33-10-8-28(9-11-33)16-34(26(38)39-28)19-6-4-17(5-7-19)25(36)37;1-2-35-21-8-9-22(23-15-25(30)26(31)16-24(23)29)19(14-21)17-32-12-10-28(11-13-32)18-33(27(34)36-28)20-6-4-3-5-7-20;1-2-35-23-11-9-19(20-8-10-21(28)25(30)24(20)29)22(31-23)16-32-14-12-27(13-15-32)17-33(26(34)36-27)18-6-4-3-5-7-18;2*2-1-3/h5-10,15-17H,3-4,11-14,18-19H2,1-2H3,(H,36,37);2*4-7,12-13,15H,8-11,14,16H2,1-3H3,(H,36,37);3-9,14-16H,2,10-13,17-18H2,1H3;3-11H,2,12-17H2,1H3;;.

What are the key properties of 4-[8-[[1-tert-butyl-3-(2,4,5-trifluorophenyl)pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[8-[[1-tert-butyl-3-(2,4,6-trifluorophenyl)pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;bis(carbon dioxide);4-[8-[[3,5-diethoxy-4-(4-fluorophenyl)phenyl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]-3-fluorobenzoic acid;8-[[5-ethoxy-2-(2,4,5-trifluorophenyl)phenyl]methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;8-[[6-ethoxy-3-(2,3,4-trifluorophenyl)-2-pyridinyl]methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?

4-[8-[[1-tert-butyl-3-(2,4,5-trifluorophenyl)pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[8-[[1-tert-butyl-3-(2,4,6-trifluorophenyl)pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;bis(carbon dioxide);4-[8-[[3,5-diethoxy-4-(4-fluorophenyl)phenyl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]-3-fluorobenzoic acid;8-[[5-ethoxy-2-(2,4,5-trifluorophenyl)phenyl]methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;8-[[6-ethoxy-3-(2,3,4-trifluorophenyl)-2-pyridinyl]methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one has a molecular weight of 2733.78 g/mol, XLogP of 27.49, 31 rotatable bonds, 3 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[8-[[1-tert-butyl-3-(2,4,5-trifluorophenyl)pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[8-[[1-tert-butyl-3-(2,4,6-trifluorophenyl)pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;bis(carbon dioxide);4-[8-[[3,5-diethoxy-4-(4-fluorophenyl)phenyl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]-3-fluorobenzoic acid;8-[[5-ethoxy-2-(2,4,5-trifluorophenyl)phenyl]methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;8-[[6-ethoxy-3-(2,3,4-trifluorophenyl)-2-pyridinyl]methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 159540637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).