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]benzoic acid;bis(carbon dioxide);4-[8-[[3-(3-chloro-4-fluorophenyl)-1-cyclohexylpyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;8-[[2-(2,4-difluorophenyl)-5-ethoxyphenyl]methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;4-[8-[(1,3-diphenylpyrazol-4-yl)methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;8-[[6-ethoxy-3-(2,3,4-trifluorophenyl)-2-pyridinyl]methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one

C145H143ClF9N17O22 — CID 159876821

About 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]benzoic acid;bis(carbon dioxide);4-[8-[[3-(3-chloro-4-fluorophenyl)-1-cyclohexylpyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;8-[[2-(2,4-difluorophenyl)-5-ethoxyphenyl]methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;4-[8-[(1,3-diphenylpyrazol-4-yl)methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;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-(2,3,4-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-(3-chloro-4-fluorophenyl)-1-cyclohexylpyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;8-[[2-(2,4-difluorophenyl)-5-ethoxyphenyl]methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;4-[8-[(1,3-diphenylpyrazol-4-yl)methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;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 159876821) has the molecular formula C145H143ClF9N17O22 and a molecular weight of 2682.27 g/mol. Its IUPAC name is 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]benzoic acid;bis(carbon dioxide);4-[8-[[3-(3-chloro-4-fluorophenyl)-1-cyclohexylpyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;8-[[2-(2,4-difluorophenyl)-5-ethoxyphenyl]methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;4-[8-[(1,3-diphenylpyrazol-4-yl)methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;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-(2,3,4-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-(3-chloro-4-fluorophenyl)-1-cyclohexylpyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;8-[[2-(2,4-difluorophenyl)-5-ethoxyphenyl]methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;4-[8-[(1,3-diphenylpyrazol-4-yl)methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;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: 159876821
• Molecular Formula: C145H143ClF9N17O22
• Molecular Weight: 2682.27 g/mol
• Exact Mass: 2680.01
• IUPAC Name: 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]benzoic acid;bis(carbon dioxide);4-[8-[[3-(3-chloro-4-fluorophenyl)-1-cyclohexylpyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;8-[[2-(2,4-difluorophenyl)-5-ethoxyphenyl]methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;4-[8-[(1,3-diphenylpyrazol-4-yl)methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;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(-c2ccc(F)c(F)c2F)n1.CCOc1ccc(-c2ccc(F)c(F)c2F)c(CN2CCC3(CC2)CN(c2ccccc2)C(=O)O3)n1.CCOc1ccc(-c2ccc(F)cc2F)c(CN2CCC3(CC2)CN(c2ccccc2)C(=O)O3)c1.O=C(O)c1ccc(N2CC3(CCN(Cc4cn(-c5ccccc5)nc4-c4ccccc4)CC3)OC2=O)cc1.O=C(O)c1ccc(N2CC3(CCN(Cc4cn(C5CCCCC5)nc4-c4ccc(F)c(Cl)c4)CC3)OC2=O)cc1.O=C=O.O=C=O
• InChI: InChI=1S/C30H32ClFN4O4.C30H28N4O4.C28H29F3N4O4.C28H28F2N2O3.C27H26F3N3O3.2CO2/c31-25-16-21(8-11-26(25)32)27-22(18-36(33-27)24-4-2-1-3-5-24)17-34-14-12-30(13-15-34)19-35(29(39)40-30)23-9-6-20(7-10-23)28(37)38;35-28(36)23-11-13-25(14-12-23)33-21-30(38-29(33)37)15-17-32(18-16-30)19-24-20-34(26-9-5-2-6-10-26)31-27(24)22-7-3-1-4-8-22;1-27(2,3)35-15-18(24(32-35)20-8-9-21(29)23(31)22(20)30)14-33-12-10-28(11-13-33)16-34(26(38)39-28)19-6-4-17(5-7-19)25(36)37;1-2-34-23-9-11-24(25-10-8-21(29)17-26(25)30)20(16-23)18-31-14-12-28(13-15-31)19-32(27(33)35-28)22-6-4-3-5-7-22;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/h6-11,16,18,24H,1-5,12-15,17,19H2,(H,37,38);1-14,20H,15-19,21H2,(H,35,36);4-9,15H,10-14,16H2,1-3H3,(H,36,37);3-11,16-17H,2,12-15,18-19H2,1H3;3-11H,2,12-17H2,1H3
• InChIKey: NSZWOARZJGSXHV-UHFFFAOYSA-N
• XLogP: 27.59
• TPSA: 428.89 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 31
• Rotatable Bonds: 29
• Heavy Atoms: 194
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2682.27
LogP ≤ 5	27.59
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_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 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]benzoic acid;bis(carbon dioxide);4-[8-[[3-(3-chloro-4-fluorophenyl)-1-cyclohexylpyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;8-[[2-(2,4-difluorophenyl)-5-ethoxyphenyl]methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;4-[8-[(1,3-diphenylpyrazol-4-yl)methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;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-(2,3,4-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-(3-chloro-4-fluorophenyl)-1-cyclohexylpyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;8-[[2-(2,4-difluorophenyl)-5-ethoxyphenyl]methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;4-[8-[(1,3-diphenylpyrazol-4-yl)methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;8-[[6-ethoxy-3-(2,3,4-trifluorophenyl)-2-pyridinyl]methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one (CID 159876821) is 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]benzoic acid;bis(carbon dioxide);4-[8-[[3-(3-chloro-4-fluorophenyl)-1-cyclohexylpyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;8-[[2-(2,4-difluorophenyl)-5-ethoxyphenyl]methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;4-[8-[(1,3-diphenylpyrazol-4-yl)methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;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-(2,3,4-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-(3-chloro-4-fluorophenyl)-1-cyclohexylpyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;8-[[2-(2,4-difluorophenyl)-5-ethoxyphenyl]methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;4-[8-[(1,3-diphenylpyrazol-4-yl)methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;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-(2,3,4-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-(3-chloro-4-fluorophenyl)-1-cyclohexylpyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;8-[[2-(2,4-difluorophenyl)-5-ethoxyphenyl]methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;4-[8-[(1,3-diphenylpyrazol-4-yl)methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;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(-c2ccc(F)c(F)c2F)n1.CCOc1ccc(-c2ccc(F)c(F)c2F)c(CN2CCC3(CC2)CN(c2ccccc2)C(=O)O3)n1.CCOc1ccc(-c2ccc(F)cc2F)c(CN2CCC3(CC2)CN(c2ccccc2)C(=O)O3)c1.O=C(O)c1ccc(N2CC3(CCN(Cc4cn(-c5ccccc5)nc4-c4ccccc4)CC3)OC2=O)cc1.O=C(O)c1ccc(N2CC3(CCN(Cc4cn(C5CCCCC5)nc4-c4ccc(F)c(Cl)c4)CC3)OC2=O)cc1.O=C=O.O=C=O.

What is the InChIKey of 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]benzoic acid;bis(carbon dioxide);4-[8-[[3-(3-chloro-4-fluorophenyl)-1-cyclohexylpyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;8-[[2-(2,4-difluorophenyl)-5-ethoxyphenyl]methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;4-[8-[(1,3-diphenylpyrazol-4-yl)methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;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 NSZWOARZJGSXHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32ClFN4O4.C30H28N4O4.C28H29F3N4O4.C28H28F2N2O3.C27H26F3N3O3.2CO2/c31-25-16-21(8-11-26(25)32)27-22(18-36(33-27)24-4-2-1-3-5-24)17-34-14-12-30(13-15-34)19-35(29(39)40-30)23-9-6-20(7-10-23)28(37)38;35-28(36)23-11-13-25(14-12-23)33-21-30(38-29(33)37)15-17-32(18-16-30)19-24-20-34(26-9-5-2-6-10-26)31-27(24)22-7-3-1-4-8-22;1-27(2,3)35-15-18(24(32-35)20-8-9-21(29)23(31)22(20)30)14-33-12-10-28(11-13-33)16-34(26(38)39-28)19-6-4-17(5-7-19)25(36)37;1-2-34-23-9-11-24(25-10-8-21(29)17-26(25)30)20(16-23)18-31-14-12-28(13-15-31)19-32(27(33)35-28)22-6-4-3-5-7-22;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/h6-11,16,18,24H,1-5,12-15,17,19H2,(H,37,38);1-14,20H,15-19,21H2,(H,35,36);4-9,15H,10-14,16H2,1-3H3,(H,36,37);3-11,16-17H,2,12-15,18-19H2,1H3;3-11H,2,12-17H2,1H3;;.

What are the key properties of 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]benzoic acid;bis(carbon dioxide);4-[8-[[3-(3-chloro-4-fluorophenyl)-1-cyclohexylpyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;8-[[2-(2,4-difluorophenyl)-5-ethoxyphenyl]methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;4-[8-[(1,3-diphenylpyrazol-4-yl)methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;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-(2,3,4-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-(3-chloro-4-fluorophenyl)-1-cyclohexylpyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;8-[[2-(2,4-difluorophenyl)-5-ethoxyphenyl]methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;4-[8-[(1,3-diphenylpyrazol-4-yl)methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;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 2682.27 g/mol, XLogP of 27.59, 29 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-(2,3,4-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-(3-chloro-4-fluorophenyl)-1-cyclohexylpyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;8-[[2-(2,4-difluorophenyl)-5-ethoxyphenyl]methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;4-[8-[(1,3-diphenylpyrazol-4-yl)methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;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 159876821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).