carbon dioxide;3-(2-chlorophenyl)-8-[[3,5-diethoxy-4-(4-fluorophenyl)phenyl]methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one;4-[8-[[1-cyclopropyl-3-(4-methoxyphenyl)pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;6-[8-[[3,5-diethoxy-4-(4-fluorophenyl)phenyl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]-4-fluoropyridine-3-carboxylic acid;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

C149H153ClF4N16O27 — CID 159818398

About carbon dioxide;3-(2-chlorophenyl)-8-[[3,5-diethoxy-4-(4-fluorophenyl)phenyl]methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one;4-[8-[[1-cyclopropyl-3-(4-methoxyphenyl)pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;6-[8-[[3,5-diethoxy-4-(4-fluorophenyl)phenyl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]-4-fluoropyridine-3-carboxylic acid;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

carbon dioxide;3-(2-chlorophenyl)-8-[[3,5-diethoxy-4-(4-fluorophenyl)phenyl]methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one;4-[8-[[1-cyclopropyl-3-(4-methoxyphenyl)pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;6-[8-[[3,5-diethoxy-4-(4-fluorophenyl)phenyl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]-4-fluoropyridine-3-carboxylic acid;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 159818398) has the molecular formula C149H153ClF4N16O27 and a molecular weight of 2711.39 g/mol. Its IUPAC name is carbon dioxide;3-(2-chlorophenyl)-8-[[3,5-diethoxy-4-(4-fluorophenyl)phenyl]methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one;4-[8-[[1-cyclopropyl-3-(4-methoxyphenyl)pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;6-[8-[[3,5-diethoxy-4-(4-fluorophenyl)phenyl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]-4-fluoropyridine-3-carboxylic acid;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: carbon dioxide;3-(2-chlorophenyl)-8-[[3,5-diethoxy-4-(4-fluorophenyl)phenyl]methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one;4-[8-[[1-cyclopropyl-3-(4-methoxyphenyl)pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;6-[8-[[3,5-diethoxy-4-(4-fluorophenyl)phenyl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]-4-fluoropyridine-3-carboxylic acid;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: 159818398
• Molecular Formula: C149H153ClF4N16O27
• Molecular Weight: 2711.39 g/mol
• Exact Mass: 2709.07
• IUPAC Name: carbon dioxide;3-(2-chlorophenyl)-8-[[3,5-diethoxy-4-(4-fluorophenyl)phenyl]methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one;4-[8-[[1-cyclopropyl-3-(4-methoxyphenyl)pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;6-[8-[[3,5-diethoxy-4-(4-fluorophenyl)phenyl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]-4-fluoropyridine-3-carboxylic acid;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: CCOc1cc(CN2CCC3(CC2)CN(c2cc(C(=O)O)ccn2)C(=O)O3)cc(OCC)c1-c1ccc(F)cc1.CCOc1cc(CN2CCC3(CC2)CN(c2cc(F)c(C(=O)O)cn2)C(=O)O3)cc(OCC)c1-c1ccc(F)cc1.CCOc1cc(CN2CCC3(CC2)CN(c2ccccc2Cl)C(=O)O3)cc(OCC)c1-c1ccc(F)cc1.COc1ccc(-c2nn(C3CC3)cc2CN2CCC3(CC2)CN(c2ccc(C(=O)O)cc2)C(=O)O3)cc1.O=C(O)c1ccc(N2CC3(CCN(Cc4cn(-c5ccccc5)nc4-c4ccccc4)CC3)OC2=O)cc1.O=C=O
• InChI: InChI=1S/C30H32ClFN2O4.C30H31F2N3O6.C30H32FN3O6.C30H28N4O4.C28H30N4O5.CO2/c1-3-36-26-17-21(18-27(37-4-2)28(26)22-9-11-23(32)12-10-22)19-33-15-13-30(14-16-33)20-34(29(35)38-30)25-8-6-5-7-24(25)31;1-3-39-24-13-19(14-25(40-4-2)27(24)20-5-7-21(31)8-6-20)17-34-11-9-30(10-12-34)18-35(29(38)41-30)26-15-23(32)22(16-33-26)28(36)37;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;1-36-24-10-4-19(5-11-24)25-21(17-32(29-25)23-8-9-23)16-30-14-12-28(13-15-30)18-31(27(35)37-28)22-6-2-20(3-7-22)26(33)34;2-1-3/h5-12,17-18H,3-4,13-16,19-20H2,1-2H3;5-8,13-16H,3-4,9-12,17-18H2,1-2H3,(H,36,37);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);2-7,10-11,17,23H,8-9,12-16,18H2,1H3,(H,33,34)
• InChIKey: NLXLSCYZQPOSPF-UHFFFAOYSA-N
• XLogP: 27.05
• TPSA: 473.27 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 34
• Rotatable Bonds: 39
• Heavy Atoms: 197
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2711.39
LogP ≤ 5	27.05
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	34

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of carbon dioxide;3-(2-chlorophenyl)-8-[[3,5-diethoxy-4-(4-fluorophenyl)phenyl]methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one;4-[8-[[1-cyclopropyl-3-(4-methoxyphenyl)pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;6-[8-[[3,5-diethoxy-4-(4-fluorophenyl)phenyl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]-4-fluoropyridine-3-carboxylic acid;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 carbon dioxide;3-(2-chlorophenyl)-8-[[3,5-diethoxy-4-(4-fluorophenyl)phenyl]methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one;4-[8-[[1-cyclopropyl-3-(4-methoxyphenyl)pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;6-[8-[[3,5-diethoxy-4-(4-fluorophenyl)phenyl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]-4-fluoropyridine-3-carboxylic acid;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 159818398) is carbon dioxide;3-(2-chlorophenyl)-8-[[3,5-diethoxy-4-(4-fluorophenyl)phenyl]methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one;4-[8-[[1-cyclopropyl-3-(4-methoxyphenyl)pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;6-[8-[[3,5-diethoxy-4-(4-fluorophenyl)phenyl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]-4-fluoropyridine-3-carboxylic acid;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 carbon dioxide;3-(2-chlorophenyl)-8-[[3,5-diethoxy-4-(4-fluorophenyl)phenyl]methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one;4-[8-[[1-cyclopropyl-3-(4-methoxyphenyl)pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;6-[8-[[3,5-diethoxy-4-(4-fluorophenyl)phenyl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]-4-fluoropyridine-3-carboxylic acid;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 carbon dioxide;3-(2-chlorophenyl)-8-[[3,5-diethoxy-4-(4-fluorophenyl)phenyl]methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one;4-[8-[[1-cyclopropyl-3-(4-methoxyphenyl)pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;6-[8-[[3,5-diethoxy-4-(4-fluorophenyl)phenyl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]-4-fluoropyridine-3-carboxylic acid;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 CCOc1cc(CN2CCC3(CC2)CN(c2cc(C(=O)O)ccn2)C(=O)O3)cc(OCC)c1-c1ccc(F)cc1.CCOc1cc(CN2CCC3(CC2)CN(c2cc(F)c(C(=O)O)cn2)C(=O)O3)cc(OCC)c1-c1ccc(F)cc1.CCOc1cc(CN2CCC3(CC2)CN(c2ccccc2Cl)C(=O)O3)cc(OCC)c1-c1ccc(F)cc1.COc1ccc(-c2nn(C3CC3)cc2CN2CCC3(CC2)CN(c2ccc(C(=O)O)cc2)C(=O)O3)cc1.O=C(O)c1ccc(N2CC3(CCN(Cc4cn(-c5ccccc5)nc4-c4ccccc4)CC3)OC2=O)cc1.O=C=O.

What is the InChIKey of carbon dioxide;3-(2-chlorophenyl)-8-[[3,5-diethoxy-4-(4-fluorophenyl)phenyl]methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one;4-[8-[[1-cyclopropyl-3-(4-methoxyphenyl)pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;6-[8-[[3,5-diethoxy-4-(4-fluorophenyl)phenyl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]-4-fluoropyridine-3-carboxylic acid;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 NLXLSCYZQPOSPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32ClFN2O4.C30H31F2N3O6.C30H32FN3O6.C30H28N4O4.C28H30N4O5.CO2/c1-3-36-26-17-21(18-27(37-4-2)28(26)22-9-11-23(32)12-10-22)19-33-15-13-30(14-16-33)20-34(29(35)38-30)25-8-6-5-7-24(25)31;1-3-39-24-13-19(14-25(40-4-2)27(24)20-5-7-21(31)8-6-20)17-34-11-9-30(10-12-34)18-35(29(38)41-30)26-15-23(32)22(16-33-26)28(36)37;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;1-36-24-10-4-19(5-11-24)25-21(17-32(29-25)23-8-9-23)16-30-14-12-28(13-15-30)18-31(27(35)37-28)22-6-2-20(3-7-22)26(33)34;2-1-3/h5-12,17-18H,3-4,13-16,19-20H2,1-2H3;5-8,13-16H,3-4,9-12,17-18H2,1-2H3,(H,36,37);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);2-7,10-11,17,23H,8-9,12-16,18H2,1H3,(H,33,34);.

What are the key properties of carbon dioxide;3-(2-chlorophenyl)-8-[[3,5-diethoxy-4-(4-fluorophenyl)phenyl]methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one;4-[8-[[1-cyclopropyl-3-(4-methoxyphenyl)pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;6-[8-[[3,5-diethoxy-4-(4-fluorophenyl)phenyl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]-4-fluoropyridine-3-carboxylic acid;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?

carbon dioxide;3-(2-chlorophenyl)-8-[[3,5-diethoxy-4-(4-fluorophenyl)phenyl]methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one;4-[8-[[1-cyclopropyl-3-(4-methoxyphenyl)pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;6-[8-[[3,5-diethoxy-4-(4-fluorophenyl)phenyl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]-4-fluoropyridine-3-carboxylic acid;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 2711.39 g/mol, XLogP of 27.05, 39 rotatable bonds, 4 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for carbon dioxide;3-(2-chlorophenyl)-8-[[3,5-diethoxy-4-(4-fluorophenyl)phenyl]methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one;4-[8-[[1-cyclopropyl-3-(4-methoxyphenyl)pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;6-[8-[[3,5-diethoxy-4-(4-fluorophenyl)phenyl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]-4-fluoropyridine-3-carboxylic acid;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 159818398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).