4-[8-[[1-butyl-3-(2,3,4-trifluorophenyl)pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;tris(carbon dioxide);4-[8-[[1-cyclohexyl-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-(3-methoxyphenyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one;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

C149H148F15N15O23 — CID 158520558

About 4-[8-[[1-butyl-3-(2,3,4-trifluorophenyl)pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;tris(carbon dioxide);4-[8-[[1-cyclohexyl-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-(3-methoxyphenyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one;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

4-[8-[[1-butyl-3-(2,3,4-trifluorophenyl)pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;tris(carbon dioxide);4-[8-[[1-cyclohexyl-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-(3-methoxyphenyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one;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 158520558) has the molecular formula C149H148F15N15O23 and a molecular weight of 2801.87 g/mol. Its IUPAC name is 4-[8-[[1-butyl-3-(2,3,4-trifluorophenyl)pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;tris(carbon dioxide);4-[8-[[1-cyclohexyl-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-(3-methoxyphenyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one;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: 4-[8-[[1-butyl-3-(2,3,4-trifluorophenyl)pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;tris(carbon dioxide);4-[8-[[1-cyclohexyl-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-(3-methoxyphenyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one;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: 158520558
• Molecular Formula: C149H148F15N15O23
• Molecular Weight: 2801.87 g/mol
• Exact Mass: 2800.06
• IUPAC Name: 4-[8-[[1-butyl-3-(2,3,4-trifluorophenyl)pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;tris(carbon dioxide);4-[8-[[1-cyclohexyl-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-(3-methoxyphenyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one;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: CCCCn1cc(CN2CCC3(CC2)CN(c2ccc(C(=O)O)cc2)C(=O)O3)c(-c2ccc(F)c(F)c2F)n1.CCOc1cc(CN2CCC3(CC2)CN(c2cccc(OC)c2)C(=O)O3)c(-c2ccc(F)c(F)c2F)cc1C.CCOc1cc(CN2CCC3(CC2)CN(c2ccccc2)C(=O)O3)c(-c2ccc(C(F)(F)F)nc2)cc1C.O=C(O)c1ccc(N2CC3(CCN(Cc4cn(C5CCCCC5)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/C30H31F3N4O4.C30H31F3N2O4.C29H30F3N3O3.C29H27F3N2O2.C28H29F3N4O4.3CO2/c31-24-11-10-23(25(32)26(24)33)27-20(17-37(34-27)22-4-2-1-3-5-22)16-35-14-12-30(13-15-35)18-36(29(40)41-30)21-8-6-19(7-9-21)28(38)39;1-4-38-26-15-20(24(14-19(26)2)23-8-9-25(31)28(33)27(23)32)17-34-12-10-30(11-13-34)18-35(29(36)39-30)21-6-5-7-22(16-21)37-3;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;1-2-3-12-34-16-19(25(32-34)21-8-9-22(29)24(31)23(21)30)15-33-13-10-28(11-14-33)17-35(27(38)39-28)20-6-4-18(5-7-20)26(36)37;3*2-1-3/h6-11,17,22H,1-5,12-16,18H2,(H,38,39);5-9,14-16H,4,10-13,17-18H2,1-3H3;4-10,15-17H,3,11-14,18-19H2,1-2H3;1-3,7-8,13-16H,4-6,9-12,17-18H2;4-9,16H,2-3,10-15,17H2,1H3,(H,36,37)
• InChIKey: HMDZTUQVCRGLKP-UHFFFAOYSA-N
• XLogP: 29.06
• TPSA: 417.14 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 31
• Rotatable Bonds: 31
• Heavy Atoms: 202
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2801.87
LogP ≤ 5	29.06
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': '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-butyl-3-(2,3,4-trifluorophenyl)pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;tris(carbon dioxide);4-[8-[[1-cyclohexyl-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-(3-methoxyphenyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one;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 4-[8-[[1-butyl-3-(2,3,4-trifluorophenyl)pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;tris(carbon dioxide);4-[8-[[1-cyclohexyl-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-(3-methoxyphenyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one;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 158520558) is 4-[8-[[1-butyl-3-(2,3,4-trifluorophenyl)pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;tris(carbon dioxide);4-[8-[[1-cyclohexyl-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-(3-methoxyphenyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one;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 4-[8-[[1-butyl-3-(2,3,4-trifluorophenyl)pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;tris(carbon dioxide);4-[8-[[1-cyclohexyl-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-(3-methoxyphenyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one;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 4-[8-[[1-butyl-3-(2,3,4-trifluorophenyl)pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;tris(carbon dioxide);4-[8-[[1-cyclohexyl-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-(3-methoxyphenyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one;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 CCCCn1cc(CN2CCC3(CC2)CN(c2ccc(C(=O)O)cc2)C(=O)O3)c(-c2ccc(F)c(F)c2F)n1.CCOc1cc(CN2CCC3(CC2)CN(c2cccc(OC)c2)C(=O)O3)c(-c2ccc(F)c(F)c2F)cc1C.CCOc1cc(CN2CCC3(CC2)CN(c2ccccc2)C(=O)O3)c(-c2ccc(C(F)(F)F)nc2)cc1C.O=C(O)c1ccc(N2CC3(CCN(Cc4cn(C5CCCCC5)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 4-[8-[[1-butyl-3-(2,3,4-trifluorophenyl)pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;tris(carbon dioxide);4-[8-[[1-cyclohexyl-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-(3-methoxyphenyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one;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 HMDZTUQVCRGLKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31F3N4O4.C30H31F3N2O4.C29H30F3N3O3.C29H27F3N2O2.C28H29F3N4O4.3CO2/c31-24-11-10-23(25(32)26(24)33)27-20(17-37(34-27)22-4-2-1-3-5-22)16-35-14-12-30(13-15-35)18-36(29(40)41-30)21-8-6-19(7-9-21)28(38)39;1-4-38-26-15-20(24(14-19(26)2)23-8-9-25(31)28(33)27(23)32)17-34-12-10-30(11-13-34)18-35(29(36)39-30)21-6-5-7-22(16-21)37-3;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;1-2-3-12-34-16-19(25(32-34)21-8-9-22(29)24(31)23(21)30)15-33-13-10-28(11-14-33)17-35(27(38)39-28)20-6-4-18(5-7-20)26(36)37;3*2-1-3/h6-11,17,22H,1-5,12-16,18H2,(H,38,39);5-9,14-16H,4,10-13,17-18H2,1-3H3;4-10,15-17H,3,11-14,18-19H2,1-2H3;1-3,7-8,13-16H,4-6,9-12,17-18H2;4-9,16H,2-3,10-15,17H2,1H3,(H,36,37);;;.

What are the key properties of 4-[8-[[1-butyl-3-(2,3,4-trifluorophenyl)pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;tris(carbon dioxide);4-[8-[[1-cyclohexyl-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-(3-methoxyphenyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one;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?

4-[8-[[1-butyl-3-(2,3,4-trifluorophenyl)pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;tris(carbon dioxide);4-[8-[[1-cyclohexyl-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-(3-methoxyphenyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one;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 2801.87 g/mol, XLogP of 29.06, 31 rotatable bonds, 2 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[8-[[1-butyl-3-(2,3,4-trifluorophenyl)pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;tris(carbon dioxide);4-[8-[[1-cyclohexyl-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-(3-methoxyphenyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one;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 158520558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).