tris(carbon dioxide);8-[[5-chloro-2-(6-fluoro-3-pyridinyl)-4-methylphenyl]methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;8-[[5-chloro-4-methyl-2-(6-methyl-3-pyridinyl)phenyl]methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;8-[[5-chloro-4-methyl-2-(2,4,5-trifluorophenyl)phenyl]methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;4-[8-[[1-cyclohexyl-3-[4-(trifluoromethoxy)phenyl]pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[8-[[1-cyclohexyl-3-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid

C145H143Cl3F10N16O21 — CID 158583881

About tris(carbon dioxide);8-[[5-chloro-2-(6-fluoro-3-pyridinyl)-4-methylphenyl]methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;8-[[5-chloro-4-methyl-2-(6-methyl-3-pyridinyl)phenyl]methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;8-[[5-chloro-4-methyl-2-(2,4,5-trifluorophenyl)phenyl]methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;4-[8-[[1-cyclohexyl-3-[4-(trifluoromethoxy)phenyl]pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[8-[[1-cyclohexyl-3-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid

tris(carbon dioxide);8-[[5-chloro-2-(6-fluoro-3-pyridinyl)-4-methylphenyl]methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;8-[[5-chloro-4-methyl-2-(6-methyl-3-pyridinyl)phenyl]methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;8-[[5-chloro-4-methyl-2-(2,4,5-trifluorophenyl)phenyl]methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;4-[8-[[1-cyclohexyl-3-[4-(trifluoromethoxy)phenyl]pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[8-[[1-cyclohexyl-3-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid (PubChem CID 158583881) has the molecular formula C145H143Cl3F10N16O21 and a molecular weight of 2742.17 g/mol. Its IUPAC name is tris(carbon dioxide);8-[[5-chloro-2-(6-fluoro-3-pyridinyl)-4-methylphenyl]methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;8-[[5-chloro-4-methyl-2-(6-methyl-3-pyridinyl)phenyl]methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;8-[[5-chloro-4-methyl-2-(2,4,5-trifluorophenyl)phenyl]methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;4-[8-[[1-cyclohexyl-3-[4-(trifluoromethoxy)phenyl]pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[8-[[1-cyclohexyl-3-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid.

Molecular Properties

• Compound Name: tris(carbon dioxide);8-[[5-chloro-2-(6-fluoro-3-pyridinyl)-4-methylphenyl]methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;8-[[5-chloro-4-methyl-2-(6-methyl-3-pyridinyl)phenyl]methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;8-[[5-chloro-4-methyl-2-(2,4,5-trifluorophenyl)phenyl]methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;4-[8-[[1-cyclohexyl-3-[4-(trifluoromethoxy)phenyl]pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[8-[[1-cyclohexyl-3-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid
• PubChem CID: 158583881
• Molecular Formula: C145H143Cl3F10N16O21
• Molecular Weight: 2742.17 g/mol
• Exact Mass: 2738.95
• IUPAC Name: tris(carbon dioxide);8-[[5-chloro-2-(6-fluoro-3-pyridinyl)-4-methylphenyl]methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;8-[[5-chloro-4-methyl-2-(6-methyl-3-pyridinyl)phenyl]methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;8-[[5-chloro-4-methyl-2-(2,4,5-trifluorophenyl)phenyl]methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;4-[8-[[1-cyclohexyl-3-[4-(trifluoromethoxy)phenyl]pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[8-[[1-cyclohexyl-3-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid
• SMILES: Cc1cc(-c2cc(F)c(F)cc2F)c(CN2CCC3(CC2)CN(c2ccccc2)C(=O)O3)cc1Cl.Cc1cc(-c2ccc(F)nc2)c(CN2CCC3(CC2)CN(c2ccccc2)C(=O)O3)cc1Cl.Cc1ccc(-c2cc(C)c(Cl)cc2CN2CCC3(CC2)CN(c2ccccc2)C(=O)O3)cn1.O=C(O)c1ccc(N2CC3(CCN(Cc4cn(C5CCCCC5)nc4-c4ccc(C(F)(F)F)cc4)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.O=C=O
• InChI: InChI=1S/C31H33F3N4O5.C31H33F3N4O4.C27H24ClF3N2O2.C27H28ClN3O2.C26H25ClFN3O2.3CO2/c32-31(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;32-31(33,34)24-10-6-21(7-11-24)27-23(19-38(35-27)26-4-2-1-3-5-26)18-36-16-14-30(15-17-36)20-37(29(41)42-30)25-12-8-22(9-13-25)28(39)40;1-17-11-20(21-13-24(30)25(31)14-23(21)29)18(12-22(17)28)15-32-9-7-27(8-10-32)16-33(26(34)35-27)19-5-3-2-4-6-19;1-19-14-24(21-9-8-20(2)29-16-21)22(15-25(19)28)17-30-12-10-27(11-13-30)18-31(26(32)33-27)23-6-4-3-5-7-23;1-18-13-22(19-7-8-24(28)29-15-19)20(14-23(18)27)16-30-11-9-26(10-12-30)17-31(25(32)33-26)21-5-3-2-4-6-21;3*2-1-3/h6-13,19,25H,1-5,14-18,20H2,(H,39,40);6-13,19,26H,1-5,14-18,20H2,(H,39,40);2-6,11-14H,7-10,15-16H2,1H3;3-9,14-16H,10-13,17-18H2,1-2H3;2-8,13-15H,9-12,16-17H2,1H3
• InChIKey: HTOWUUBHDAAISN-UHFFFAOYSA-N
• XLogP: 30.23
• TPSA: 411.57 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 30
• Rotatable Bonds: 25
• Heavy Atoms: 195
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2742.17
LogP ≤ 5	30.23
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tris(carbon dioxide);8-[[5-chloro-2-(6-fluoro-3-pyridinyl)-4-methylphenyl]methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;8-[[5-chloro-4-methyl-2-(6-methyl-3-pyridinyl)phenyl]methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;8-[[5-chloro-4-methyl-2-(2,4,5-trifluorophenyl)phenyl]methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;4-[8-[[1-cyclohexyl-3-[4-(trifluoromethoxy)phenyl]pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[8-[[1-cyclohexyl-3-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid?

The IUPAC name of tris(carbon dioxide);8-[[5-chloro-2-(6-fluoro-3-pyridinyl)-4-methylphenyl]methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;8-[[5-chloro-4-methyl-2-(6-methyl-3-pyridinyl)phenyl]methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;8-[[5-chloro-4-methyl-2-(2,4,5-trifluorophenyl)phenyl]methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;4-[8-[[1-cyclohexyl-3-[4-(trifluoromethoxy)phenyl]pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[8-[[1-cyclohexyl-3-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid (CID 158583881) is tris(carbon dioxide);8-[[5-chloro-2-(6-fluoro-3-pyridinyl)-4-methylphenyl]methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;8-[[5-chloro-4-methyl-2-(6-methyl-3-pyridinyl)phenyl]methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;8-[[5-chloro-4-methyl-2-(2,4,5-trifluorophenyl)phenyl]methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;4-[8-[[1-cyclohexyl-3-[4-(trifluoromethoxy)phenyl]pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[8-[[1-cyclohexyl-3-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid.

What is the SMILES notation for tris(carbon dioxide);8-[[5-chloro-2-(6-fluoro-3-pyridinyl)-4-methylphenyl]methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;8-[[5-chloro-4-methyl-2-(6-methyl-3-pyridinyl)phenyl]methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;8-[[5-chloro-4-methyl-2-(2,4,5-trifluorophenyl)phenyl]methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;4-[8-[[1-cyclohexyl-3-[4-(trifluoromethoxy)phenyl]pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[8-[[1-cyclohexyl-3-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid?

The canonical SMILES for tris(carbon dioxide);8-[[5-chloro-2-(6-fluoro-3-pyridinyl)-4-methylphenyl]methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;8-[[5-chloro-4-methyl-2-(6-methyl-3-pyridinyl)phenyl]methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;8-[[5-chloro-4-methyl-2-(2,4,5-trifluorophenyl)phenyl]methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;4-[8-[[1-cyclohexyl-3-[4-(trifluoromethoxy)phenyl]pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[8-[[1-cyclohexyl-3-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid is Cc1cc(-c2cc(F)c(F)cc2F)c(CN2CCC3(CC2)CN(c2ccccc2)C(=O)O3)cc1Cl.Cc1cc(-c2ccc(F)nc2)c(CN2CCC3(CC2)CN(c2ccccc2)C(=O)O3)cc1Cl.Cc1ccc(-c2cc(C)c(Cl)cc2CN2CCC3(CC2)CN(c2ccccc2)C(=O)O3)cn1.O=C(O)c1ccc(N2CC3(CCN(Cc4cn(C5CCCCC5)nc4-c4ccc(C(F)(F)F)cc4)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.O=C=O.

What is the InChIKey of tris(carbon dioxide);8-[[5-chloro-2-(6-fluoro-3-pyridinyl)-4-methylphenyl]methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;8-[[5-chloro-4-methyl-2-(6-methyl-3-pyridinyl)phenyl]methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;8-[[5-chloro-4-methyl-2-(2,4,5-trifluorophenyl)phenyl]methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;4-[8-[[1-cyclohexyl-3-[4-(trifluoromethoxy)phenyl]pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[8-[[1-cyclohexyl-3-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid?

The InChIKey is HTOWUUBHDAAISN-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H33F3N4O5.C31H33F3N4O4.C27H24ClF3N2O2.C27H28ClN3O2.C26H25ClFN3O2.3CO2/c32-31(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;32-31(33,34)24-10-6-21(7-11-24)27-23(19-38(35-27)26-4-2-1-3-5-26)18-36-16-14-30(15-17-36)20-37(29(41)42-30)25-12-8-22(9-13-25)28(39)40;1-17-11-20(21-13-24(30)25(31)14-23(21)29)18(12-22(17)28)15-32-9-7-27(8-10-32)16-33(26(34)35-27)19-5-3-2-4-6-19;1-19-14-24(21-9-8-20(2)29-16-21)22(15-25(19)28)17-30-12-10-27(11-13-30)18-31(26(32)33-27)23-6-4-3-5-7-23;1-18-13-22(19-7-8-24(28)29-15-19)20(14-23(18)27)16-30-11-9-26(10-12-30)17-31(25(32)33-26)21-5-3-2-4-6-21;3*2-1-3/h6-13,19,25H,1-5,14-18,20H2,(H,39,40);6-13,19,26H,1-5,14-18,20H2,(H,39,40);2-6,11-14H,7-10,15-16H2,1H3;3-9,14-16H,10-13,17-18H2,1-2H3;2-8,13-15H,9-12,16-17H2,1H3;;;.

What are the key properties of tris(carbon dioxide);8-[[5-chloro-2-(6-fluoro-3-pyridinyl)-4-methylphenyl]methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;8-[[5-chloro-4-methyl-2-(6-methyl-3-pyridinyl)phenyl]methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;8-[[5-chloro-4-methyl-2-(2,4,5-trifluorophenyl)phenyl]methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;4-[8-[[1-cyclohexyl-3-[4-(trifluoromethoxy)phenyl]pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[8-[[1-cyclohexyl-3-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid?

tris(carbon dioxide);8-[[5-chloro-2-(6-fluoro-3-pyridinyl)-4-methylphenyl]methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;8-[[5-chloro-4-methyl-2-(6-methyl-3-pyridinyl)phenyl]methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;8-[[5-chloro-4-methyl-2-(2,4,5-trifluorophenyl)phenyl]methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;4-[8-[[1-cyclohexyl-3-[4-(trifluoromethoxy)phenyl]pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[8-[[1-cyclohexyl-3-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid has a molecular weight of 2742.17 g/mol, XLogP of 30.23, 25 rotatable bonds, 2 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for tris(carbon dioxide);8-[[5-chloro-2-(6-fluoro-3-pyridinyl)-4-methylphenyl]methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;8-[[5-chloro-4-methyl-2-(6-methyl-3-pyridinyl)phenyl]methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;8-[[5-chloro-4-methyl-2-(2,4,5-trifluorophenyl)phenyl]methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;4-[8-[[1-cyclohexyl-3-[4-(trifluoromethoxy)phenyl]pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[8-[[1-cyclohexyl-3-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid is sourced from PubChem (CID 158583881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).