bis(carbon dioxide);8-[[5-chloro-4-methyl-2-[6-(trifluoromethyl)-3-pyridinyl]phenyl]methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;4-[8-[[1-(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)-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-2-(1,3-thiazol-2-yl)phenyl]methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;4-[8-[[1-naphthalen-2-yl-3-(2,3,4-trifluorophenyl)pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[2-oxo-8-[[1-phenyl-3-[4-(trifluoromethoxy)phenyl]pyrazol-4-yl]methyl]-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid

C152H141ClF12N18O22S — CID 157060487

About bis(carbon dioxide);8-[[5-chloro-4-methyl-2-[6-(trifluoromethyl)-3-pyridinyl]phenyl]methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;4-[8-[[1-(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)-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-2-(1,3-thiazol-2-yl)phenyl]methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;4-[8-[[1-naphthalen-2-yl-3-(2,3,4-trifluorophenyl)pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[2-oxo-8-[[1-phenyl-3-[4-(trifluoromethoxy)phenyl]pyrazol-4-yl]methyl]-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid

bis(carbon dioxide);8-[[5-chloro-4-methyl-2-[6-(trifluoromethyl)-3-pyridinyl]phenyl]methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;4-[8-[[1-(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)-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-2-(1,3-thiazol-2-yl)phenyl]methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;4-[8-[[1-naphthalen-2-yl-3-(2,3,4-trifluorophenyl)pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[2-oxo-8-[[1-phenyl-3-[4-(trifluoromethoxy)phenyl]pyrazol-4-yl]methyl]-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid (PubChem CID 157060487) has the molecular formula C152H141ClF12N18O22S and a molecular weight of 2867.40 g/mol. Its IUPAC name is bis(carbon dioxide);8-[[5-chloro-4-methyl-2-[6-(trifluoromethyl)-3-pyridinyl]phenyl]methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;4-[8-[[1-(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)-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-2-(1,3-thiazol-2-yl)phenyl]methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;4-[8-[[1-naphthalen-2-yl-3-(2,3,4-trifluorophenyl)pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[2-oxo-8-[[1-phenyl-3-[4-(trifluoromethoxy)phenyl]pyrazol-4-yl]methyl]-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid.

Molecular Properties

• Compound Name: bis(carbon dioxide);8-[[5-chloro-4-methyl-2-[6-(trifluoromethyl)-3-pyridinyl]phenyl]methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;4-[8-[[1-(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)-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-2-(1,3-thiazol-2-yl)phenyl]methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;4-[8-[[1-naphthalen-2-yl-3-(2,3,4-trifluorophenyl)pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[2-oxo-8-[[1-phenyl-3-[4-(trifluoromethoxy)phenyl]pyrazol-4-yl]methyl]-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid
• PubChem CID: 157060487
• Molecular Formula: C152H141ClF12N18O22S
• Molecular Weight: 2867.40 g/mol
• Exact Mass: 2864.97
• IUPAC Name: bis(carbon dioxide);8-[[5-chloro-4-methyl-2-[6-(trifluoromethyl)-3-pyridinyl]phenyl]methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;4-[8-[[1-(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)-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-2-(1,3-thiazol-2-yl)phenyl]methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;4-[8-[[1-naphthalen-2-yl-3-(2,3,4-trifluorophenyl)pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[2-oxo-8-[[1-phenyl-3-[4-(trifluoromethoxy)phenyl]pyrazol-4-yl]methyl]-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid
• SMILES: CC1(C)C2CCC(C2)C1n1cc(CN2CCC3(CC2)CN(c2ccc(C(=O)O)cc2)C(=O)O3)c(-c2ccc(F)c(F)c2F)n1.CCOc1ccc(-c2nccs2)c(CN2CCC3(CC2)CN(c2ccccc2)C(=O)O3)c1.Cc1cc(-c2ccc(C(F)(F)F)nc2)c(CN2CCC3(CC2)CN(c2ccccc2)C(=O)O3)cc1Cl.O=C(O)c1ccc(N2CC3(CCN(Cc4cn(-c5ccc6ccccc6c5)nc4-c4ccc(F)c(F)c4F)CC3)OC2=O)cc1.O=C(O)c1ccc(N2CC3(CCN(Cc4cn(-c5ccccc5)nc4-c4ccc(OC(F)(F)F)cc4)CC3)OC2=O)cc1.O=C=O.O=C=O
• InChI: InChI=1S/C34H27F3N4O4.C33H35F3N4O4.C31H27F3N4O5.C27H25ClF3N3O2.C25H27N3O3S.2CO2/c35-28-12-11-27(29(36)30(28)37)31-24(19-41(38-31)26-10-5-21-3-1-2-4-23(21)17-26)18-39-15-13-34(14-16-39)20-40(33(44)45-34)25-8-6-22(7-9-25)32(42)43;1-32(2)22-6-3-20(15-22)29(32)40-17-21(28(37-40)24-9-10-25(34)27(36)26(24)35)16-38-13-11-33(12-14-38)18-39(31(43)44-33)23-7-4-19(5-8-23)30(41)42;32-31(33,34)42-26-12-8-21(9-13-26)27-23(19-38(35-27)25-4-2-1-3-5-25)18-36-16-14-30(15-17-36)20-37(29(41)43-30)24-10-6-22(7-11-24)28(39)40;1-18-13-22(19-7-8-24(32-15-19)27(29,30)31)20(14-23(18)28)16-33-11-9-26(10-12-33)17-34(25(35)36-26)21-5-3-2-4-6-21;1-2-30-21-8-9-22(23-26-12-15-32-23)19(16-21)17-27-13-10-25(11-14-27)18-28(24(29)31-25)20-6-4-3-5-7-20;2*2-1-3/h1-12,17,19H,13-16,18,20H2,(H,42,43);4-5,7-10,17,20,22,29H,3,6,11-16,18H2,1-2H3,(H,41,42);1-13,19H,14-18,20H2,(H,39,40);2-8,13-15H,9-12,16-17H2,1H3;3-9,12,15-16H,2,10-11,13-14,17-18H2,1H3
• InChIKey: ABGVMYZSFFNDDI-UHFFFAOYSA-N
• XLogP: 30.33
• TPSA: 441.78 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 33
• Rotatable Bonds: 29
• Heavy Atoms: 206
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2867.40
LogP ≤ 5	30.33
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	33

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 bis(carbon dioxide);8-[[5-chloro-4-methyl-2-[6-(trifluoromethyl)-3-pyridinyl]phenyl]methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;4-[8-[[1-(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)-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-2-(1,3-thiazol-2-yl)phenyl]methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;4-[8-[[1-naphthalen-2-yl-3-(2,3,4-trifluorophenyl)pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[2-oxo-8-[[1-phenyl-3-[4-(trifluoromethoxy)phenyl]pyrazol-4-yl]methyl]-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid?

The IUPAC name of bis(carbon dioxide);8-[[5-chloro-4-methyl-2-[6-(trifluoromethyl)-3-pyridinyl]phenyl]methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;4-[8-[[1-(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)-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-2-(1,3-thiazol-2-yl)phenyl]methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;4-[8-[[1-naphthalen-2-yl-3-(2,3,4-trifluorophenyl)pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[2-oxo-8-[[1-phenyl-3-[4-(trifluoromethoxy)phenyl]pyrazol-4-yl]methyl]-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid (CID 157060487) is bis(carbon dioxide);8-[[5-chloro-4-methyl-2-[6-(trifluoromethyl)-3-pyridinyl]phenyl]methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;4-[8-[[1-(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)-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-2-(1,3-thiazol-2-yl)phenyl]methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;4-[8-[[1-naphthalen-2-yl-3-(2,3,4-trifluorophenyl)pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[2-oxo-8-[[1-phenyl-3-[4-(trifluoromethoxy)phenyl]pyrazol-4-yl]methyl]-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid.

What is the SMILES notation for bis(carbon dioxide);8-[[5-chloro-4-methyl-2-[6-(trifluoromethyl)-3-pyridinyl]phenyl]methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;4-[8-[[1-(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)-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-2-(1,3-thiazol-2-yl)phenyl]methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;4-[8-[[1-naphthalen-2-yl-3-(2,3,4-trifluorophenyl)pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[2-oxo-8-[[1-phenyl-3-[4-(trifluoromethoxy)phenyl]pyrazol-4-yl]methyl]-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid?

The canonical SMILES for bis(carbon dioxide);8-[[5-chloro-4-methyl-2-[6-(trifluoromethyl)-3-pyridinyl]phenyl]methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;4-[8-[[1-(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)-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-2-(1,3-thiazol-2-yl)phenyl]methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;4-[8-[[1-naphthalen-2-yl-3-(2,3,4-trifluorophenyl)pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[2-oxo-8-[[1-phenyl-3-[4-(trifluoromethoxy)phenyl]pyrazol-4-yl]methyl]-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid is CC1(C)C2CCC(C2)C1n1cc(CN2CCC3(CC2)CN(c2ccc(C(=O)O)cc2)C(=O)O3)c(-c2ccc(F)c(F)c2F)n1.CCOc1ccc(-c2nccs2)c(CN2CCC3(CC2)CN(c2ccccc2)C(=O)O3)c1.Cc1cc(-c2ccc(C(F)(F)F)nc2)c(CN2CCC3(CC2)CN(c2ccccc2)C(=O)O3)cc1Cl.O=C(O)c1ccc(N2CC3(CCN(Cc4cn(-c5ccc6ccccc6c5)nc4-c4ccc(F)c(F)c4F)CC3)OC2=O)cc1.O=C(O)c1ccc(N2CC3(CCN(Cc4cn(-c5ccccc5)nc4-c4ccc(OC(F)(F)F)cc4)CC3)OC2=O)cc1.O=C=O.O=C=O.

What is the InChIKey of bis(carbon dioxide);8-[[5-chloro-4-methyl-2-[6-(trifluoromethyl)-3-pyridinyl]phenyl]methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;4-[8-[[1-(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)-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-2-(1,3-thiazol-2-yl)phenyl]methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;4-[8-[[1-naphthalen-2-yl-3-(2,3,4-trifluorophenyl)pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[2-oxo-8-[[1-phenyl-3-[4-(trifluoromethoxy)phenyl]pyrazol-4-yl]methyl]-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid?

The InChIKey is ABGVMYZSFFNDDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H27F3N4O4.C33H35F3N4O4.C31H27F3N4O5.C27H25ClF3N3O2.C25H27N3O3S.2CO2/c35-28-12-11-27(29(36)30(28)37)31-24(19-41(38-31)26-10-5-21-3-1-2-4-23(21)17-26)18-39-15-13-34(14-16-39)20-40(33(44)45-34)25-8-6-22(7-9-25)32(42)43;1-32(2)22-6-3-20(15-22)29(32)40-17-21(28(37-40)24-9-10-25(34)27(36)26(24)35)16-38-13-11-33(12-14-38)18-39(31(43)44-33)23-7-4-19(5-8-23)30(41)42;32-31(33,34)42-26-12-8-21(9-13-26)27-23(19-38(35-27)25-4-2-1-3-5-25)18-36-16-14-30(15-17-36)20-37(29(41)43-30)24-10-6-22(7-11-24)28(39)40;1-18-13-22(19-7-8-24(32-15-19)27(29,30)31)20(14-23(18)28)16-33-11-9-26(10-12-33)17-34(25(35)36-26)21-5-3-2-4-6-21;1-2-30-21-8-9-22(23-26-12-15-32-23)19(16-21)17-27-13-10-25(11-14-27)18-28(24(29)31-25)20-6-4-3-5-7-20;2*2-1-3/h1-12,17,19H,13-16,18,20H2,(H,42,43);4-5,7-10,17,20,22,29H,3,6,11-16,18H2,1-2H3,(H,41,42);1-13,19H,14-18,20H2,(H,39,40);2-8,13-15H,9-12,16-17H2,1H3;3-9,12,15-16H,2,10-11,13-14,17-18H2,1H3;;.

What are the key properties of bis(carbon dioxide);8-[[5-chloro-4-methyl-2-[6-(trifluoromethyl)-3-pyridinyl]phenyl]methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;4-[8-[[1-(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)-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-2-(1,3-thiazol-2-yl)phenyl]methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;4-[8-[[1-naphthalen-2-yl-3-(2,3,4-trifluorophenyl)pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[2-oxo-8-[[1-phenyl-3-[4-(trifluoromethoxy)phenyl]pyrazol-4-yl]methyl]-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid?

bis(carbon dioxide);8-[[5-chloro-4-methyl-2-[6-(trifluoromethyl)-3-pyridinyl]phenyl]methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;4-[8-[[1-(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)-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-2-(1,3-thiazol-2-yl)phenyl]methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;4-[8-[[1-naphthalen-2-yl-3-(2,3,4-trifluorophenyl)pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[2-oxo-8-[[1-phenyl-3-[4-(trifluoromethoxy)phenyl]pyrazol-4-yl]methyl]-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid has a molecular weight of 2867.40 g/mol, XLogP of 30.33, 29 rotatable bonds, 3 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for bis(carbon dioxide);8-[[5-chloro-4-methyl-2-[6-(trifluoromethyl)-3-pyridinyl]phenyl]methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;4-[8-[[1-(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)-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-2-(1,3-thiazol-2-yl)phenyl]methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;4-[8-[[1-naphthalen-2-yl-3-(2,3,4-trifluorophenyl)pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[2-oxo-8-[[1-phenyl-3-[4-(trifluoromethoxy)phenyl]pyrazol-4-yl]methyl]-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid is sourced from PubChem (CID 157060487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).