4-[8-[[1-tert-butyl-3-(4-chloro-2,5-difluorophenyl)pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]-2-methylbenzoic acid;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;bis(carbon dioxide);8-[[2-(3,4-difluorophenyl)-5-ethoxyphenyl]methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;4-[8-[[3-(4-ethoxyphenyl)-1-phenylpyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;8-[[5-ethoxy-2-(2,3,4-trifluorophenyl)phenyl]methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one

C148H152ClF7N16O24 — CID 157176559

About 4-[8-[[1-tert-butyl-3-(4-chloro-2,5-difluorophenyl)pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]-2-methylbenzoic acid;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;bis(carbon dioxide);8-[[2-(3,4-difluorophenyl)-5-ethoxyphenyl]methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;4-[8-[[3-(4-ethoxyphenyl)-1-phenylpyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;8-[[5-ethoxy-2-(2,3,4-trifluorophenyl)phenyl]methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one

4-[8-[[1-tert-butyl-3-(4-chloro-2,5-difluorophenyl)pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]-2-methylbenzoic acid;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;bis(carbon dioxide);8-[[2-(3,4-difluorophenyl)-5-ethoxyphenyl]methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;4-[8-[[3-(4-ethoxyphenyl)-1-phenylpyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;8-[[5-ethoxy-2-(2,3,4-trifluorophenyl)phenyl]methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one (PubChem CID 157176559) has the molecular formula C148H152ClF7N16O24 and a molecular weight of 2707.37 g/mol. Its IUPAC name is 4-[8-[[1-tert-butyl-3-(4-chloro-2,5-difluorophenyl)pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]-2-methylbenzoic acid;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;bis(carbon dioxide);8-[[2-(3,4-difluorophenyl)-5-ethoxyphenyl]methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;4-[8-[[3-(4-ethoxyphenyl)-1-phenylpyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;8-[[5-ethoxy-2-(2,3,4-trifluorophenyl)phenyl]methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

• Compound Name: 4-[8-[[1-tert-butyl-3-(4-chloro-2,5-difluorophenyl)pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]-2-methylbenzoic acid;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;bis(carbon dioxide);8-[[2-(3,4-difluorophenyl)-5-ethoxyphenyl]methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;4-[8-[[3-(4-ethoxyphenyl)-1-phenylpyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;8-[[5-ethoxy-2-(2,3,4-trifluorophenyl)phenyl]methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
• PubChem CID: 157176559
• Molecular Formula: C148H152ClF7N16O24
• Molecular Weight: 2707.37 g/mol
• Exact Mass: 2705.07
• IUPAC Name: 4-[8-[[1-tert-butyl-3-(4-chloro-2,5-difluorophenyl)pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]-2-methylbenzoic acid;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;bis(carbon dioxide);8-[[2-(3,4-difluorophenyl)-5-ethoxyphenyl]methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;4-[8-[[3-(4-ethoxyphenyl)-1-phenylpyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;8-[[5-ethoxy-2-(2,3,4-trifluorophenyl)phenyl]methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
• SMILES: 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.CCOc1ccc(-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.Cc1cc(N2CC3(CCN(Cc4cn(C(C)(C)C)nc4-c4cc(F)c(Cl)cc4F)CC3)OC2=O)ccc1C(=O)O.O=C=O.O=C=O
• InChI: InChI=1S/C32H32N4O5.C29H31ClF2N4O4.C29H34N4O5.C28H27F3N2O3.C28H28F2N2O3.2CO2/c1-2-40-28-14-10-23(11-15-28)29-25(21-36(33-29)27-6-4-3-5-7-27)20-34-18-16-32(17-19-34)22-35(31(39)41-32)26-12-8-24(9-13-26)30(37)38;1-17-11-19(5-6-20(17)26(37)38)35-16-29(40-27(35)39)7-9-34(10-8-29)14-18-15-36(28(2,3)4)33-25(18)21-12-24(32)22(30)13-23(21)31;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;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;2*2-1-3/h3-15,21H,2,16-20,22H2,1H3,(H,37,38);5-6,11-13,15H,7-10,14,16H2,1-4H3,(H,37,38);5-12,18H,13-17,19H2,1-4H3,(H,34,35);3-11,16H,2,12-15,17-18H2,1H3;3-11,16-17H,2,12-15,18-19H2,1H3
• InChIKey: AOBPCEOEOGDPNK-UHFFFAOYSA-N
• XLogP: 27.88
• TPSA: 434.46 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 32
• Rotatable Bonds: 31
• Heavy Atoms: 196
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2707.37
LogP ≤ 5	27.88
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	32

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-(4-chloro-2,5-difluorophenyl)pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]-2-methylbenzoic acid;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;bis(carbon dioxide);8-[[2-(3,4-difluorophenyl)-5-ethoxyphenyl]methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;4-[8-[[3-(4-ethoxyphenyl)-1-phenylpyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;8-[[5-ethoxy-2-(2,3,4-trifluorophenyl)phenyl]methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?

The IUPAC name of 4-[8-[[1-tert-butyl-3-(4-chloro-2,5-difluorophenyl)pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]-2-methylbenzoic acid;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;bis(carbon dioxide);8-[[2-(3,4-difluorophenyl)-5-ethoxyphenyl]methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;4-[8-[[3-(4-ethoxyphenyl)-1-phenylpyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;8-[[5-ethoxy-2-(2,3,4-trifluorophenyl)phenyl]methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one (CID 157176559) is 4-[8-[[1-tert-butyl-3-(4-chloro-2,5-difluorophenyl)pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]-2-methylbenzoic acid;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;bis(carbon dioxide);8-[[2-(3,4-difluorophenyl)-5-ethoxyphenyl]methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;4-[8-[[3-(4-ethoxyphenyl)-1-phenylpyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;8-[[5-ethoxy-2-(2,3,4-trifluorophenyl)phenyl]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-(4-chloro-2,5-difluorophenyl)pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]-2-methylbenzoic acid;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;bis(carbon dioxide);8-[[2-(3,4-difluorophenyl)-5-ethoxyphenyl]methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;4-[8-[[3-(4-ethoxyphenyl)-1-phenylpyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;8-[[5-ethoxy-2-(2,3,4-trifluorophenyl)phenyl]methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?

The canonical SMILES for 4-[8-[[1-tert-butyl-3-(4-chloro-2,5-difluorophenyl)pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]-2-methylbenzoic acid;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;bis(carbon dioxide);8-[[2-(3,4-difluorophenyl)-5-ethoxyphenyl]methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;4-[8-[[3-(4-ethoxyphenyl)-1-phenylpyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;8-[[5-ethoxy-2-(2,3,4-trifluorophenyl)phenyl]methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one is 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.CCOc1ccc(-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.Cc1cc(N2CC3(CCN(Cc4cn(C(C)(C)C)nc4-c4cc(F)c(Cl)cc4F)CC3)OC2=O)ccc1C(=O)O.O=C=O.O=C=O.

What is the InChIKey of 4-[8-[[1-tert-butyl-3-(4-chloro-2,5-difluorophenyl)pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]-2-methylbenzoic acid;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;bis(carbon dioxide);8-[[2-(3,4-difluorophenyl)-5-ethoxyphenyl]methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;4-[8-[[3-(4-ethoxyphenyl)-1-phenylpyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;8-[[5-ethoxy-2-(2,3,4-trifluorophenyl)phenyl]methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?

The InChIKey is AOBPCEOEOGDPNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H32N4O5.C29H31ClF2N4O4.C29H34N4O5.C28H27F3N2O3.C28H28F2N2O3.2CO2/c1-2-40-28-14-10-23(11-15-28)29-25(21-36(33-29)27-6-4-3-5-7-27)20-34-18-16-32(17-19-34)22-35(31(39)41-32)26-12-8-24(9-13-26)30(37)38;1-17-11-19(5-6-20(17)26(37)38)35-16-29(40-27(35)39)7-9-34(10-8-29)14-18-15-36(28(2,3)4)33-25(18)21-12-24(32)22(30)13-23(21)31;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;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;2*2-1-3/h3-15,21H,2,16-20,22H2,1H3,(H,37,38);5-6,11-13,15H,7-10,14,16H2,1-4H3,(H,37,38);5-12,18H,13-17,19H2,1-4H3,(H,34,35);3-11,16H,2,12-15,17-18H2,1H3;3-11,16-17H,2,12-15,18-19H2,1H3;;.

What are the key properties of 4-[8-[[1-tert-butyl-3-(4-chloro-2,5-difluorophenyl)pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]-2-methylbenzoic acid;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;bis(carbon dioxide);8-[[2-(3,4-difluorophenyl)-5-ethoxyphenyl]methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;4-[8-[[3-(4-ethoxyphenyl)-1-phenylpyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;8-[[5-ethoxy-2-(2,3,4-trifluorophenyl)phenyl]methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?

4-[8-[[1-tert-butyl-3-(4-chloro-2,5-difluorophenyl)pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]-2-methylbenzoic acid;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;bis(carbon dioxide);8-[[2-(3,4-difluorophenyl)-5-ethoxyphenyl]methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;4-[8-[[3-(4-ethoxyphenyl)-1-phenylpyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;8-[[5-ethoxy-2-(2,3,4-trifluorophenyl)phenyl]methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one has a molecular weight of 2707.37 g/mol, XLogP of 27.88, 31 rotatable bonds, 3 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[8-[[1-tert-butyl-3-(4-chloro-2,5-difluorophenyl)pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]-2-methylbenzoic acid;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;bis(carbon dioxide);8-[[2-(3,4-difluorophenyl)-5-ethoxyphenyl]methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;4-[8-[[3-(4-ethoxyphenyl)-1-phenylpyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;8-[[5-ethoxy-2-(2,3,4-trifluorophenyl)phenyl]methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 157176559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).