4-[8-[[1-tert-butyl-3-(4-methoxyphenyl)pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;tris(carbon dioxide);8-[[5-ethoxy-4-methyl-2-(2,4,5-trifluorophenyl)phenyl]methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;8-[[2-(6-fluoro-3-pyridinyl)-5-(trifluoromethyl)phenyl]methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;4-[8-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;3-phenyl-8-[[5-(trifluoromethyl)-2-(2,3,4-trifluorophenyl)phenyl]methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one

C145H138F13N15O23 — CID 157166422

About 4-[8-[[1-tert-butyl-3-(4-methoxyphenyl)pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;tris(carbon dioxide);8-[[5-ethoxy-4-methyl-2-(2,4,5-trifluorophenyl)phenyl]methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;8-[[2-(6-fluoro-3-pyridinyl)-5-(trifluoromethyl)phenyl]methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;4-[8-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;3-phenyl-8-[[5-(trifluoromethyl)-2-(2,3,4-trifluorophenyl)phenyl]methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one

4-[8-[[1-tert-butyl-3-(4-methoxyphenyl)pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;tris(carbon dioxide);8-[[5-ethoxy-4-methyl-2-(2,4,5-trifluorophenyl)phenyl]methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;8-[[2-(6-fluoro-3-pyridinyl)-5-(trifluoromethyl)phenyl]methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;4-[8-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;3-phenyl-8-[[5-(trifluoromethyl)-2-(2,3,4-trifluorophenyl)phenyl]methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one (PubChem CID 157166422) has the molecular formula C145H138F13N15O23 and a molecular weight of 2705.75 g/mol. Its IUPAC name is 4-[8-[[1-tert-butyl-3-(4-methoxyphenyl)pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;tris(carbon dioxide);8-[[5-ethoxy-4-methyl-2-(2,4,5-trifluorophenyl)phenyl]methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;8-[[2-(6-fluoro-3-pyridinyl)-5-(trifluoromethyl)phenyl]methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;4-[8-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;3-phenyl-8-[[5-(trifluoromethyl)-2-(2,3,4-trifluorophenyl)phenyl]methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

• Compound Name: 4-[8-[[1-tert-butyl-3-(4-methoxyphenyl)pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;tris(carbon dioxide);8-[[5-ethoxy-4-methyl-2-(2,4,5-trifluorophenyl)phenyl]methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;8-[[2-(6-fluoro-3-pyridinyl)-5-(trifluoromethyl)phenyl]methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;4-[8-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;3-phenyl-8-[[5-(trifluoromethyl)-2-(2,3,4-trifluorophenyl)phenyl]methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
• PubChem CID: 157166422
• Molecular Formula: C145H138F13N15O23
• Molecular Weight: 2705.75 g/mol
• Exact Mass: 2703.99
• IUPAC Name: 4-[8-[[1-tert-butyl-3-(4-methoxyphenyl)pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;tris(carbon dioxide);8-[[5-ethoxy-4-methyl-2-(2,4,5-trifluorophenyl)phenyl]methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;8-[[2-(6-fluoro-3-pyridinyl)-5-(trifluoromethyl)phenyl]methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;4-[8-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;3-phenyl-8-[[5-(trifluoromethyl)-2-(2,3,4-trifluorophenyl)phenyl]methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
• SMILES: CCOc1cc(CN2CCC3(CC2)CN(c2ccccc2)C(=O)O3)c(-c2cc(F)c(F)cc2F)cc1C.COc1ccc(-c2nn(-c3ccccc3)cc2CN2CCC3(CC2)CN(c2ccc(C(=O)O)cc2)C(=O)O3)cc1.COc1ccc(-c2nn(C(C)(C)C)cc2CN2CCC3(CC2)CN(c2ccc(C(=O)O)cc2)C(=O)O3)cc1.O=C1OC2(CCN(Cc3cc(C(F)(F)F)ccc3-c3ccc(F)c(F)c3F)CC2)CN1c1ccccc1.O=C1OC2(CCN(Cc3cc(C(F)(F)F)ccc3-c3ccc(F)nc3)CC2)CN1c1ccccc1.O=C=O.O=C=O.O=C=O
• InChI: InChI=1S/C31H30N4O5.C29H29F3N2O3.C29H34N4O5.C27H22F6N2O2.C26H23F4N3O2.3CO2/c1-39-27-13-9-22(10-14-27)28-24(20-35(32-28)26-5-3-2-4-6-26)19-33-17-15-31(16-18-33)21-34(30(38)40-31)25-11-7-23(8-12-25)29(36)37;1-3-36-27-14-20(22(13-19(27)2)23-15-25(31)26(32)16-24(23)30)17-33-11-9-29(10-12-33)18-34(28(35)37-29)21-7-5-4-6-8-21;1-28(2,3)33-18-22(25(30-33)20-7-11-24(37-4)12-8-20)17-31-15-13-29(14-16-31)19-32(27(36)38-29)23-9-5-21(6-10-23)26(34)35;28-22-9-8-21(23(29)24(22)30)20-7-6-18(27(31,32)33)14-17(20)15-34-12-10-26(11-13-34)16-35(25(36)37-26)19-4-2-1-3-5-19;27-23-9-6-18(15-31-23)22-8-7-20(26(28,29)30)14-19(22)16-32-12-10-25(11-13-32)17-33(24(34)35-25)21-4-2-1-3-5-21;3*2-1-3/h2-14,20H,15-19,21H2,1H3,(H,36,37);4-8,13-16H,3,9-12,17-18H2,1-2H3;5-12,18H,13-17,19H2,1-4H3,(H,34,35);1-9,14H,10-13,15-16H2;1-9,14-15H,10-13,16-17H2
• InChIKey: AMYSIGGPKSOTDK-UHFFFAOYSA-N
• XLogP: 27.64
• TPSA: 417.14 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 31
• Rotatable Bonds: 27
• Heavy Atoms: 196
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2705.75
LogP ≤ 5	27.64
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': '2-halo_pyridine', '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-(4-methoxyphenyl)pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;tris(carbon dioxide);8-[[5-ethoxy-4-methyl-2-(2,4,5-trifluorophenyl)phenyl]methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;8-[[2-(6-fluoro-3-pyridinyl)-5-(trifluoromethyl)phenyl]methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;4-[8-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;3-phenyl-8-[[5-(trifluoromethyl)-2-(2,3,4-trifluorophenyl)phenyl]methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?

The IUPAC name of 4-[8-[[1-tert-butyl-3-(4-methoxyphenyl)pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;tris(carbon dioxide);8-[[5-ethoxy-4-methyl-2-(2,4,5-trifluorophenyl)phenyl]methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;8-[[2-(6-fluoro-3-pyridinyl)-5-(trifluoromethyl)phenyl]methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;4-[8-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;3-phenyl-8-[[5-(trifluoromethyl)-2-(2,3,4-trifluorophenyl)phenyl]methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one (CID 157166422) is 4-[8-[[1-tert-butyl-3-(4-methoxyphenyl)pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;tris(carbon dioxide);8-[[5-ethoxy-4-methyl-2-(2,4,5-trifluorophenyl)phenyl]methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;8-[[2-(6-fluoro-3-pyridinyl)-5-(trifluoromethyl)phenyl]methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;4-[8-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;3-phenyl-8-[[5-(trifluoromethyl)-2-(2,3,4-trifluorophenyl)phenyl]methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one.

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

The canonical SMILES for 4-[8-[[1-tert-butyl-3-(4-methoxyphenyl)pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;tris(carbon dioxide);8-[[5-ethoxy-4-methyl-2-(2,4,5-trifluorophenyl)phenyl]methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;8-[[2-(6-fluoro-3-pyridinyl)-5-(trifluoromethyl)phenyl]methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;4-[8-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;3-phenyl-8-[[5-(trifluoromethyl)-2-(2,3,4-trifluorophenyl)phenyl]methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one is CCOc1cc(CN2CCC3(CC2)CN(c2ccccc2)C(=O)O3)c(-c2cc(F)c(F)cc2F)cc1C.COc1ccc(-c2nn(-c3ccccc3)cc2CN2CCC3(CC2)CN(c2ccc(C(=O)O)cc2)C(=O)O3)cc1.COc1ccc(-c2nn(C(C)(C)C)cc2CN2CCC3(CC2)CN(c2ccc(C(=O)O)cc2)C(=O)O3)cc1.O=C1OC2(CCN(Cc3cc(C(F)(F)F)ccc3-c3ccc(F)c(F)c3F)CC2)CN1c1ccccc1.O=C1OC2(CCN(Cc3cc(C(F)(F)F)ccc3-c3ccc(F)nc3)CC2)CN1c1ccccc1.O=C=O.O=C=O.O=C=O.

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

The InChIKey is AMYSIGGPKSOTDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H30N4O5.C29H29F3N2O3.C29H34N4O5.C27H22F6N2O2.C26H23F4N3O2.3CO2/c1-39-27-13-9-22(10-14-27)28-24(20-35(32-28)26-5-3-2-4-6-26)19-33-17-15-31(16-18-33)21-34(30(38)40-31)25-11-7-23(8-12-25)29(36)37;1-3-36-27-14-20(22(13-19(27)2)23-15-25(31)26(32)16-24(23)30)17-33-11-9-29(10-12-33)18-34(28(35)37-29)21-7-5-4-6-8-21;1-28(2,3)33-18-22(25(30-33)20-7-11-24(37-4)12-8-20)17-31-15-13-29(14-16-31)19-32(27(36)38-29)23-9-5-21(6-10-23)26(34)35;28-22-9-8-21(23(29)24(22)30)20-7-6-18(27(31,32)33)14-17(20)15-34-12-10-26(11-13-34)16-35(25(36)37-26)19-4-2-1-3-5-19;27-23-9-6-18(15-31-23)22-8-7-20(26(28,29)30)14-19(22)16-32-12-10-25(11-13-32)17-33(24(34)35-25)21-4-2-1-3-5-21;3*2-1-3/h2-14,20H,15-19,21H2,1H3,(H,36,37);4-8,13-16H,3,9-12,17-18H2,1-2H3;5-12,18H,13-17,19H2,1-4H3,(H,34,35);1-9,14H,10-13,15-16H2;1-9,14-15H,10-13,16-17H2;;;.

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

4-[8-[[1-tert-butyl-3-(4-methoxyphenyl)pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;tris(carbon dioxide);8-[[5-ethoxy-4-methyl-2-(2,4,5-trifluorophenyl)phenyl]methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;8-[[2-(6-fluoro-3-pyridinyl)-5-(trifluoromethyl)phenyl]methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;4-[8-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;3-phenyl-8-[[5-(trifluoromethyl)-2-(2,3,4-trifluorophenyl)phenyl]methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one has a molecular weight of 2705.75 g/mol, XLogP of 27.64, 27 rotatable bonds, 2 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[8-[[1-tert-butyl-3-(4-methoxyphenyl)pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;tris(carbon dioxide);8-[[5-ethoxy-4-methyl-2-(2,4,5-trifluorophenyl)phenyl]methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;8-[[2-(6-fluoro-3-pyridinyl)-5-(trifluoromethyl)phenyl]methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;4-[8-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;3-phenyl-8-[[5-(trifluoromethyl)-2-(2,3,4-trifluorophenyl)phenyl]methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 157166422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).