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;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-[[3,5-diethoxy-4-(4-fluorophenyl)phenyl]methyl]-3-(2-methylphenyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one;2-[8-[[3,5-diethoxy-4-(4-fluorophenyl)phenyl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]pyridine-4-carboxylic acid;4-[8-[(1,3-diphenylpyrazol-4-yl)methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid

C150H156ClF6N17O24 — CID 158787648

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;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-[[3,5-diethoxy-4-(4-fluorophenyl)phenyl]methyl]-3-(2-methylphenyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one;2-[8-[[3,5-diethoxy-4-(4-fluorophenyl)phenyl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]pyridine-4-carboxylic acid;4-[8-[(1,3-diphenylpyrazol-4-yl)methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid

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;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-[[3,5-diethoxy-4-(4-fluorophenyl)phenyl]methyl]-3-(2-methylphenyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one;2-[8-[[3,5-diethoxy-4-(4-fluorophenyl)phenyl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]pyridine-4-carboxylic acid;4-[8-[(1,3-diphenylpyrazol-4-yl)methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid (PubChem CID 158787648) has the molecular formula C150H156ClF6N17O24 and a molecular weight of 2730.43 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;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-[[3,5-diethoxy-4-(4-fluorophenyl)phenyl]methyl]-3-(2-methylphenyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one;2-[8-[[3,5-diethoxy-4-(4-fluorophenyl)phenyl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]pyridine-4-carboxylic acid;4-[8-[(1,3-diphenylpyrazol-4-yl)methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid.

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;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-[[3,5-diethoxy-4-(4-fluorophenyl)phenyl]methyl]-3-(2-methylphenyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one;2-[8-[[3,5-diethoxy-4-(4-fluorophenyl)phenyl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]pyridine-4-carboxylic acid;4-[8-[(1,3-diphenylpyrazol-4-yl)methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid
• PubChem CID: 158787648
• Molecular Formula: C150H156ClF6N17O24
• Molecular Weight: 2730.43 g/mol
• Exact Mass: 2728.11
• 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;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-[[3,5-diethoxy-4-(4-fluorophenyl)phenyl]methyl]-3-(2-methylphenyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one;2-[8-[[3,5-diethoxy-4-(4-fluorophenyl)phenyl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]pyridine-4-carboxylic acid;4-[8-[(1,3-diphenylpyrazol-4-yl)methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid
• SMILES: CC(C)(C)n1cc(CN2CCC3(CC2)CN(c2ccc(C(=O)O)cc2)C(=O)O3)c(-c2ccc(F)c(F)c2F)n1.CCOc1cc(CN2CCC3(CC2)CN(c2cc(C(=O)O)ccn2)C(=O)O3)cc(OCC)c1-c1ccc(F)cc1.CCOc1cc(CN2CCC3(CC2)CN(c2ccccc2C)C(=O)O3)cc(OCC)c1-c1ccc(F)cc1.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
• InChI: InChI=1S/C31H35FN2O4.C30H32ClFN4O4.C30H32FN3O6.C30H28N4O4.C28H29F3N4O4.CO2/c1-4-36-27-18-23(19-28(37-5-2)29(27)24-10-12-25(32)13-11-24)20-33-16-14-31(15-17-33)21-34(30(35)38-31)26-9-7-6-8-22(26)3;31-25-16-21(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;1-3-38-24-15-20(16-25(39-4-2)27(24)21-5-7-23(31)8-6-21)18-33-13-10-30(11-14-33)19-34(29(37)40-30)26-17-22(28(35)36)9-12-32-26;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;2-1-3/h6-13,18-19H,4-5,14-17,20-21H2,1-3H3;6-11,16,18,24H,1-5,12-15,17,19H2,(H,37,38);5-9,12,15-17H,3-4,10-11,13-14,18-19H2,1-2H3,(H,35,36);1-14,20H,15-19,21H2,(H,35,36);4-9,15H,10-14,16H2,1-3H3,(H,36,37)
• InChIKey: IRWQQYNQDZQPAC-UHFFFAOYSA-N
• XLogP: 28.56
• TPSA: 450.51 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 32
• Rotatable Bonds: 34
• Heavy Atoms: 198
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2730.43
LogP ≤ 5	28.56
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	32

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;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-[[3,5-diethoxy-4-(4-fluorophenyl)phenyl]methyl]-3-(2-methylphenyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one;2-[8-[[3,5-diethoxy-4-(4-fluorophenyl)phenyl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]pyridine-4-carboxylic acid;4-[8-[(1,3-diphenylpyrazol-4-yl)methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid?

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;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-[[3,5-diethoxy-4-(4-fluorophenyl)phenyl]methyl]-3-(2-methylphenyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one;2-[8-[[3,5-diethoxy-4-(4-fluorophenyl)phenyl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]pyridine-4-carboxylic acid;4-[8-[(1,3-diphenylpyrazol-4-yl)methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid (CID 158787648) 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;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-[[3,5-diethoxy-4-(4-fluorophenyl)phenyl]methyl]-3-(2-methylphenyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one;2-[8-[[3,5-diethoxy-4-(4-fluorophenyl)phenyl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]pyridine-4-carboxylic acid;4-[8-[(1,3-diphenylpyrazol-4-yl)methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid.

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;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-[[3,5-diethoxy-4-(4-fluorophenyl)phenyl]methyl]-3-(2-methylphenyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one;2-[8-[[3,5-diethoxy-4-(4-fluorophenyl)phenyl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]pyridine-4-carboxylic acid;4-[8-[(1,3-diphenylpyrazol-4-yl)methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid?

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;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-[[3,5-diethoxy-4-(4-fluorophenyl)phenyl]methyl]-3-(2-methylphenyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one;2-[8-[[3,5-diethoxy-4-(4-fluorophenyl)phenyl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]pyridine-4-carboxylic acid;4-[8-[(1,3-diphenylpyrazol-4-yl)methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid is CC(C)(C)n1cc(CN2CCC3(CC2)CN(c2ccc(C(=O)O)cc2)C(=O)O3)c(-c2ccc(F)c(F)c2F)n1.CCOc1cc(CN2CCC3(CC2)CN(c2cc(C(=O)O)ccn2)C(=O)O3)cc(OCC)c1-c1ccc(F)cc1.CCOc1cc(CN2CCC3(CC2)CN(c2ccccc2C)C(=O)O3)cc(OCC)c1-c1ccc(F)cc1.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.

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;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-[[3,5-diethoxy-4-(4-fluorophenyl)phenyl]methyl]-3-(2-methylphenyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one;2-[8-[[3,5-diethoxy-4-(4-fluorophenyl)phenyl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]pyridine-4-carboxylic acid;4-[8-[(1,3-diphenylpyrazol-4-yl)methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid?

The InChIKey is IRWQQYNQDZQPAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H35FN2O4.C30H32ClFN4O4.C30H32FN3O6.C30H28N4O4.C28H29F3N4O4.CO2/c1-4-36-27-18-23(19-28(37-5-2)29(27)24-10-12-25(32)13-11-24)20-33-16-14-31(15-17-33)21-34(30(35)38-31)26-9-7-6-8-22(26)3;31-25-16-21(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;1-3-38-24-15-20(16-25(39-4-2)27(24)21-5-7-23(31)8-6-21)18-33-13-10-30(11-14-33)19-34(29(37)40-30)26-17-22(28(35)36)9-12-32-26;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;2-1-3/h6-13,18-19H,4-5,14-17,20-21H2,1-3H3;6-11,16,18,24H,1-5,12-15,17,19H2,(H,37,38);5-9,12,15-17H,3-4,10-11,13-14,18-19H2,1-2H3,(H,35,36);1-14,20H,15-19,21H2,(H,35,36);4-9,15H,10-14,16H2,1-3H3,(H,36,37);.

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;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-[[3,5-diethoxy-4-(4-fluorophenyl)phenyl]methyl]-3-(2-methylphenyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one;2-[8-[[3,5-diethoxy-4-(4-fluorophenyl)phenyl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]pyridine-4-carboxylic acid;4-[8-[(1,3-diphenylpyrazol-4-yl)methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid?

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;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-[[3,5-diethoxy-4-(4-fluorophenyl)phenyl]methyl]-3-(2-methylphenyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one;2-[8-[[3,5-diethoxy-4-(4-fluorophenyl)phenyl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]pyridine-4-carboxylic acid;4-[8-[(1,3-diphenylpyrazol-4-yl)methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid has a molecular weight of 2730.43 g/mol, XLogP of 28.56, 34 rotatable bonds, 4 hydrogen bond donors, and 32 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;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-[[3,5-diethoxy-4-(4-fluorophenyl)phenyl]methyl]-3-(2-methylphenyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one;2-[8-[[3,5-diethoxy-4-(4-fluorophenyl)phenyl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]pyridine-4-carboxylic acid;4-[8-[(1,3-diphenylpyrazol-4-yl)methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid is sourced from PubChem (CID 158787648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).