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

C147H146F12N16O23 — CID 160853748

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

bis(4-[8-[[1-tert-butyl-3-(2-methoxyphenyl)pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid);bis(carbon dioxide);8-[[5-ethoxy-4-methyl-2-(2,3,4-trifluorophenyl)phenyl]methyl]-3-(2-methylphenyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one;4-[2-oxo-8-[[1-phenyl-3-(2,4,5-trifluorophenyl)pyrazol-4-yl]methyl]-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 160853748) has the molecular formula C147H146F12N16O23 and a molecular weight of 2732.85 g/mol. Its IUPAC name is bis(4-[8-[[1-tert-butyl-3-(2-methoxyphenyl)pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid);bis(carbon dioxide);8-[[5-ethoxy-4-methyl-2-(2,3,4-trifluorophenyl)phenyl]methyl]-3-(2-methylphenyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one;4-[2-oxo-8-[[1-phenyl-3-(2,4,5-trifluorophenyl)pyrazol-4-yl]methyl]-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: bis(4-[8-[[1-tert-butyl-3-(2-methoxyphenyl)pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid);bis(carbon dioxide);8-[[5-ethoxy-4-methyl-2-(2,3,4-trifluorophenyl)phenyl]methyl]-3-(2-methylphenyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one;4-[2-oxo-8-[[1-phenyl-3-(2,4,5-trifluorophenyl)pyrazol-4-yl]methyl]-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: 160853748
• Molecular Formula: C147H146F12N16O23
• Molecular Weight: 2732.85 g/mol
• Exact Mass: 2731.06
• IUPAC Name: bis(4-[8-[[1-tert-butyl-3-(2-methoxyphenyl)pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid);bis(carbon dioxide);8-[[5-ethoxy-4-methyl-2-(2,3,4-trifluorophenyl)phenyl]methyl]-3-(2-methylphenyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one;4-[2-oxo-8-[[1-phenyl-3-(2,4,5-trifluorophenyl)pyrazol-4-yl]methyl]-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(c2ccccc2C)C(=O)O3)c(-c2ccc(F)c(F)c2F)cc1C.COc1ccccc1-c1nn(C(C)(C)C)cc1CN1CCC2(CC1)CN(c1ccc(C(=O)O)cc1)C(=O)O2.COc1ccccc1-c1nn(C(C)(C)C)cc1CN1CCC2(CC1)CN(c1ccc(C(=O)O)cc1)C(=O)O2.O=C(O)c1ccc(N2CC3(CCN(Cc4cn(-c5ccccc5)nc4-c4cc(F)c(F)cc4F)CC3)OC2=O)cc1.O=C1OC2(CCN(Cc3cc(C(F)(F)F)ccc3-c3ccc(F)c(F)c3F)CC2)CN1c1ccccc1.O=C=O.O=C=O
• InChI: InChI=1S/C30H25F3N4O4.C30H31F3N2O3.2C29H34N4O5.C27H22F6N2O2.2CO2/c31-24-15-26(33)25(32)14-23(24)27-20(17-37(34-27)22-4-2-1-3-5-22)16-35-12-10-30(11-13-35)18-36(29(40)41-30)21-8-6-19(7-9-21)28(38)39;1-4-37-26-16-21(23(15-20(26)3)22-9-10-24(31)28(33)27(22)32)17-34-13-11-30(12-14-34)18-35(29(36)38-30)25-8-6-5-7-19(25)2;2*1-28(2,3)33-18-21(25(30-33)23-7-5-6-8-24(23)37-4)17-31-15-13-29(14-16-31)19-32(27(36)38-29)22-11-9-20(10-12-22)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;2*2-1-3/h1-9,14-15,17H,10-13,16,18H2,(H,38,39);5-10,15-16H,4,11-14,17-18H2,1-3H3;2*5-12,18H,13-17,19H2,1-4H3,(H,34,35);1-9,14H,10-13,15-16H2
• InChIKey: SJPFMRNIHRNIIH-UHFFFAOYSA-N
• XLogP: 28.04
• TPSA: 425.23 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 31
• Rotatable Bonds: 28
• Heavy Atoms: 198
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2732.85
LogP ≤ 5	28.04
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_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of bis(4-[8-[[1-tert-butyl-3-(2-methoxyphenyl)pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid);bis(carbon dioxide);8-[[5-ethoxy-4-methyl-2-(2,3,4-trifluorophenyl)phenyl]methyl]-3-(2-methylphenyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one;4-[2-oxo-8-[[1-phenyl-3-(2,4,5-trifluorophenyl)pyrazol-4-yl]methyl]-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 bis(4-[8-[[1-tert-butyl-3-(2-methoxyphenyl)pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid);bis(carbon dioxide);8-[[5-ethoxy-4-methyl-2-(2,3,4-trifluorophenyl)phenyl]methyl]-3-(2-methylphenyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one;4-[2-oxo-8-[[1-phenyl-3-(2,4,5-trifluorophenyl)pyrazol-4-yl]methyl]-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 160853748) is bis(4-[8-[[1-tert-butyl-3-(2-methoxyphenyl)pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid);bis(carbon dioxide);8-[[5-ethoxy-4-methyl-2-(2,3,4-trifluorophenyl)phenyl]methyl]-3-(2-methylphenyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one;4-[2-oxo-8-[[1-phenyl-3-(2,4,5-trifluorophenyl)pyrazol-4-yl]methyl]-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 bis(4-[8-[[1-tert-butyl-3-(2-methoxyphenyl)pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid);bis(carbon dioxide);8-[[5-ethoxy-4-methyl-2-(2,3,4-trifluorophenyl)phenyl]methyl]-3-(2-methylphenyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one;4-[2-oxo-8-[[1-phenyl-3-(2,4,5-trifluorophenyl)pyrazol-4-yl]methyl]-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 bis(4-[8-[[1-tert-butyl-3-(2-methoxyphenyl)pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid);bis(carbon dioxide);8-[[5-ethoxy-4-methyl-2-(2,3,4-trifluorophenyl)phenyl]methyl]-3-(2-methylphenyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one;4-[2-oxo-8-[[1-phenyl-3-(2,4,5-trifluorophenyl)pyrazol-4-yl]methyl]-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(c2ccccc2C)C(=O)O3)c(-c2ccc(F)c(F)c2F)cc1C.COc1ccccc1-c1nn(C(C)(C)C)cc1CN1CCC2(CC1)CN(c1ccc(C(=O)O)cc1)C(=O)O2.COc1ccccc1-c1nn(C(C)(C)C)cc1CN1CCC2(CC1)CN(c1ccc(C(=O)O)cc1)C(=O)O2.O=C(O)c1ccc(N2CC3(CCN(Cc4cn(-c5ccccc5)nc4-c4cc(F)c(F)cc4F)CC3)OC2=O)cc1.O=C1OC2(CCN(Cc3cc(C(F)(F)F)ccc3-c3ccc(F)c(F)c3F)CC2)CN1c1ccccc1.O=C=O.O=C=O.

What is the InChIKey of bis(4-[8-[[1-tert-butyl-3-(2-methoxyphenyl)pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid);bis(carbon dioxide);8-[[5-ethoxy-4-methyl-2-(2,3,4-trifluorophenyl)phenyl]methyl]-3-(2-methylphenyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one;4-[2-oxo-8-[[1-phenyl-3-(2,4,5-trifluorophenyl)pyrazol-4-yl]methyl]-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 SJPFMRNIHRNIIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H25F3N4O4.C30H31F3N2O3.2C29H34N4O5.C27H22F6N2O2.2CO2/c31-24-15-26(33)25(32)14-23(24)27-20(17-37(34-27)22-4-2-1-3-5-22)16-35-12-10-30(11-13-35)18-36(29(40)41-30)21-8-6-19(7-9-21)28(38)39;1-4-37-26-16-21(23(15-20(26)3)22-9-10-24(31)28(33)27(22)32)17-34-13-11-30(12-14-34)18-35(29(36)38-30)25-8-6-5-7-19(25)2;2*1-28(2,3)33-18-21(25(30-33)23-7-5-6-8-24(23)37-4)17-31-15-13-29(14-16-31)19-32(27(36)38-29)22-11-9-20(10-12-22)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;2*2-1-3/h1-9,14-15,17H,10-13,16,18H2,(H,38,39);5-10,15-16H,4,11-14,17-18H2,1-3H3;2*5-12,18H,13-17,19H2,1-4H3,(H,34,35);1-9,14H,10-13,15-16H2;;.

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

bis(4-[8-[[1-tert-butyl-3-(2-methoxyphenyl)pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid);bis(carbon dioxide);8-[[5-ethoxy-4-methyl-2-(2,3,4-trifluorophenyl)phenyl]methyl]-3-(2-methylphenyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one;4-[2-oxo-8-[[1-phenyl-3-(2,4,5-trifluorophenyl)pyrazol-4-yl]methyl]-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 2732.85 g/mol, XLogP of 28.04, 28 rotatable bonds, 3 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for bis(4-[8-[[1-tert-butyl-3-(2-methoxyphenyl)pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid);bis(carbon dioxide);8-[[5-ethoxy-4-methyl-2-(2,3,4-trifluorophenyl)phenyl]methyl]-3-(2-methylphenyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one;4-[2-oxo-8-[[1-phenyl-3-(2,4,5-trifluorophenyl)pyrazol-4-yl]methyl]-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 160853748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).