tris(carbon dioxide);4-[8-[[3,5-diethoxy-4-(4-fluorophenyl)phenyl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;8-[(6-methoxy-1-propan-2-ylindol-3-yl)methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;3-phenyl-8-[(5-phenylmethoxy-1-propan-2-ylindazol-3-yl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one;3-phenyl-8-[(4-phenylmethoxy-1-propan-2-ylindol-3-yl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one

C123H133FN12O21 — CID 158885071

IUPACtris(carbon dioxide);4-[8-[[3,5-diethoxy-4-(4-fluorophenyl)phenyl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;8-[(6-methoxy-1-propan-2-ylindol-3-yl)methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;3-phenyl-8-[(5-phenylmethoxy-1-propan-2-ylindazol-3-yl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one;3-phenyl-8-[(4-phenylmethoxy-1-propan-2-ylindol-3-yl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCC(C)n1cc(CN2CCC3(CC2)CN(c2ccccc2)C(=O)O3)c2c(OCc3ccccc3)cccc21.CC(C)n1nc(CN2CCC3(CC2)CN(c2ccccc2)C(=O)O3)c2cc(OCc3ccccc3)ccc21.CCOc1cc(CN2CCC3(CC2)CN(c2ccc(C(=O)O)cc2)C(=O)O3)cc(OCC)c1-c1ccc(F)cc1.COc1ccc2c(CN3CCC4(CC3)CN(c3ccccc3)C(=O)O4)cn(C(C)C)c2c1.O=C=O.O=C=O.O=C=O
InChIInChI=1S/C32H35N3O3.C31H33FN2O6.C31H34N4O3.C26H31N3O3.3CO2/c1-24(2)34-21-26(30-28(34)14-9-15-29(30)37-22-25-10-5-3-6-11-25)20-33-18-16-32(17-19-33)23-35(31(36)38-32)27-12-7-4-8-13-27;1-3-38-26-17-21(18-27(39-4-2)28(26)22-5-9-24(32)10-6-22)19-33-15-13-31(14-16-33)20-34(30(37)40-31)25-11-7-23(8-12-25)29(35)36;1-23(2)35-29-14-13-26(37-21-24-9-5-3-6-10-24)19-27(29)28(32-35)20-33-17-15-31(16-18-33)22-34(30(36)38-31)25-11-7-4-8-12-25;1-19(2)28-17-20(23-10-9-22(31-3)15-24(23)28)16-27-13-11-26(12-14-27)18-29(25(30)32-26)21-7-5-4-6-8-21;3*2-1-3/h3-15,21,24H,16-20,22-23H2,1-2H3;5-12,17-18H,3-4,13-16,19-20H2,1-2H3,(H,35,36);3-14,19,23H,15-18,20-22H2,1-2H3;4-10,15,17,19H,11-14,16,18H2,1-3H3;;;
InChIKeyJDNIRTRBNJOJKJ-UHFFFAOYSA-N
MW2134.48 g/mol
LogP22.43
Rot. Bonds28

About tris(carbon dioxide);4-[8-[[3,5-diethoxy-4-(4-fluorophenyl)phenyl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;8-[(6-methoxy-1-propan-2-ylindol-3-yl)methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;3-phenyl-8-[(5-phenylmethoxy-1-propan-2-ylindazol-3-yl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one;3-phenyl-8-[(4-phenylmethoxy-1-propan-2-ylindol-3-yl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one

tris(carbon dioxide);4-[8-[[3,5-diethoxy-4-(4-fluorophenyl)phenyl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;8-[(6-methoxy-1-propan-2-ylindol-3-yl)methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;3-phenyl-8-[(5-phenylmethoxy-1-propan-2-ylindazol-3-yl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one;3-phenyl-8-[(4-phenylmethoxy-1-propan-2-ylindol-3-yl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one (PubChem CID 158885071) has the molecular formula C123H133FN12O21 and a molecular weight of 2134.48 g/mol. Its IUPAC name is tris(carbon dioxide);4-[8-[[3,5-diethoxy-4-(4-fluorophenyl)phenyl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;8-[(6-methoxy-1-propan-2-ylindol-3-yl)methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;3-phenyl-8-[(5-phenylmethoxy-1-propan-2-ylindazol-3-yl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one;3-phenyl-8-[(4-phenylmethoxy-1-propan-2-ylindol-3-yl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Nametris(carbon dioxide);4-[8-[[3,5-diethoxy-4-(4-fluorophenyl)phenyl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;8-[(6-methoxy-1-propan-2-ylindol-3-yl)methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;3-phenyl-8-[(5-phenylmethoxy-1-propan-2-ylindazol-3-yl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one;3-phenyl-8-[(4-phenylmethoxy-1-propan-2-ylindol-3-yl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
PubChem CID158885071
Molecular FormulaC123H133FN12O21
Molecular Weight2134.48 g/mol
Exact Mass2132.97
IUPAC Nametris(carbon dioxide);4-[8-[[3,5-diethoxy-4-(4-fluorophenyl)phenyl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;8-[(6-methoxy-1-propan-2-ylindol-3-yl)methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;3-phenyl-8-[(5-phenylmethoxy-1-propan-2-ylindazol-3-yl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one;3-phenyl-8-[(4-phenylmethoxy-1-propan-2-ylindol-3-yl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCC(C)n1cc(CN2CCC3(CC2)CN(c2ccccc2)C(=O)O3)c2c(OCc3ccccc3)cccc21.CC(C)n1nc(CN2CCC3(CC2)CN(c2ccccc2)C(=O)O3)c2cc(OCc3ccccc3)ccc21.CCOc1cc(CN2CCC3(CC2)CN(c2ccc(C(=O)O)cc2)C(=O)O3)cc(OCC)c1-c1ccc(F)cc1.COc1ccc2c(CN3CCC4(CC3)CN(c3ccccc3)C(=O)O4)cn(C(C)C)c2c1.O=C=O.O=C=O.O=C=O
InChIInChI=1S/C32H35N3O3.C31H33FN2O6.C31H34N4O3.C26H31N3O3.3CO2/c1-24(2)34-21-26(30-28(34)14-9-15-29(30)37-22-25-10-5-3-6-11-25)20-33-18-16-32(17-19-33)23-35(31(36)38-32)27-12-7-4-8-13-27;1-3-38-26-17-21(18-27(39-4-2)28(26)22-5-9-24(32)10-6-22)19-33-15-13-31(14-16-33)20-34(30(37)40-31)25-11-7-23(8-12-25)29(35)36;1-23(2)35-29-14-13-26(37-21-24-9-5-3-6-10-24)19-27(29)28(32-35)20-33-17-15-31(16-18-33)22-34(30(36)38-31)25-11-7-4-8-12-25;1-19(2)28-17-20(23-10-9-22(31-3)15-24(23)28)16-27-13-11-26(12-14-27)18-29(25(30)32-26)21-7-5-4-6-8-21;3*2-1-3/h3-15,21,24H,16-20,22-23H2,1-2H3;5-12,17-18H,3-4,13-16,19-20H2,1-2H3,(H,35,36);3-14,19,23H,15-18,20-22H2,1-2H3;4-10,15,17,19H,11-14,16,18H2,1-3H3;;;
InChIKeyJDNIRTRBNJOJKJ-UHFFFAOYSA-N
XLogP22.43
TPSA344.67 Ų
H-Bond Donors1
H-Bond Acceptors28
Rotatable Bonds28
Heavy Atoms157
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002134.48
LogP ≤ 522.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1028

Computed Properties (RDKit)

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

Analyze tris(carbon dioxide);4-[8-[[3,5-diethoxy-4-(4-fluorophenyl)phenyl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;8-[(6-methoxy-1-propan-2-ylindol-3-yl)methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;3-phenyl-8-[(5-phenylmethoxy-1-propan-2-ylindazol-3-yl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one;3-phenyl-8-[(4-phenylmethoxy-1-propan-2-ylindol-3-yl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one with MolForge

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Related Compounds

4-[8-[[1-Tert-butyl-3-(4-methoxyphenyl)pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;tris(carbon dioxide);8-[[5-ethoxy-4-methyl-2-(2,4,5-trifluorophenyl)phenyl]methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;8-[[2-(6-fluoro-3-pyridinyl)-5-(trifluoromethyl)phenyl]methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;4-[8-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]-2-oxo-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 157166422
6-(5-cyclopropyl-2-methylindazol-3-yl)-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-(2,5-dimethylindazol-3-yl)-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-(2,6-dimethylindazol-3-yl)-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-(5-methoxy-2-methylindazol-3-yl)-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-(6-methoxy-2-methylindazol-3-yl)-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[2-methyl-5-(trifluoromethoxy)indazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid
CID 157363888
tris(carbon dioxide);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-4-methyl-2-[6-(trifluoromethyl)-3-pyridinyl]phenyl]methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;8-[[5-ethoxy-4-methyl-2-(2,3,4-trifluorophenyl)phenyl]methyl]-3-(2-fluorophenyl)-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;3-phenyl-8-[[6-(2,4,5-trifluorophenyl)-2,3-dihydro-1H-inden-5-yl]methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 158284750
Bis(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-cyclohexyl-3-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;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;8-[[3,5-diethoxy-4-(4-fluorophenyl)phenyl]methyl]-3-(3-methoxyphenyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one;4-[8-[[3,5-diethoxy-4-(4-fluorophenyl)phenyl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]-2-fluorobenzoic acid;4-[8-[[1-(2,4-dimethylphenyl)-3-(2,3,4-trifluorophenyl)pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid
CID 158485111
4-[8-[[1-butyl-3-(2,3,4-trifluorophenyl)pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;tris(carbon dioxide);4-[8-[[1-cyclohexyl-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-4-methyl-2-[6-(trifluoromethyl)-3-pyridinyl]phenyl]methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;8-[[5-ethoxy-4-methyl-2-(2,3,4-trifluorophenyl)phenyl]methyl]-3-(3-methoxyphenyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one;3-phenyl-8-[[6-(2,4,5-trifluorophenyl)-2,3-dihydro-1H-inden-5-yl]methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 158520558
tris(carbon dioxide);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;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-4-methyl-2-[6-(trifluoromethyl)-3-pyridinyl]phenyl]methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;8-[[5-ethoxy-4-methyl-2-(2,3,4-trifluorophenyl)phenyl]methyl]-3-(3-methoxyphenyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one;3-phenyl-8-[[6-(2,4,5-trifluorophenyl)-2,3-dihydro-1H-inden-5-yl]methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 160426861
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-[[2-(6-fluoro-3-pyridinyl)-5-(trifluoromethyl)phenyl]methyl]-3-phenyl-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;4-[2-oxo-8-[[1-propan-2-yl-3-(2,3,4-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 160744210
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
Bis(carbon dioxide);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;8-[[5-ethoxy-4-methyl-2-(2,3,4-trifluorophenyl)phenyl]methyl]-3-(3-methoxyphenyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one;4-[8-[[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;3-phenyl-8-[[5-(trifluoromethoxy)-2-(2,3,4-trifluorophenyl)phenyl]methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 161105093
4-[8-[[1-Tert-butyl-3-(2,4,5-trifluorophenyl)pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;carbon dioxide;4-[8-[[1-cyclohexyl-3-[3-(trifluoromethyl)phenyl]pyrazol-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-(3-methoxyphenyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one;4-[8-[[3,5-diethoxy-4-(4-fluorophenyl)phenyl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]-3-fluorobenzoic acid;4-[8-[[1-(2,4-dimethylphenyl)-3-(2,3,4-trifluorophenyl)pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid
CID 161932826
4-[8-[[1-Butyl-3-(2,3,4-trifluorophenyl)pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;tris(carbon dioxide);8-[[5-ethoxy-4-methyl-2-(2,3,4-trifluorophenyl)phenyl]methyl]-3-(3-methylphenyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one;8-[[5-ethoxy-4-methyl-2-(2,4,5-trifluorophenyl)phenyl]methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;8-[[2-(6-fluoro-3-pyridinyl)-5-(trifluoromethyl)phenyl]methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;4-[2-oxo-8-[[1-propan-2-yl-3-(2,3,4-trifluorophenyl)pyrazol-4-yl]methyl]-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid
CID 161975886
3-[[5-(1,1-Difluoroethyl)-1-methylindazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[1-[2-[2-(dimethylamino)ethoxy]ethyl]indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[(1,5-dimethylindazol-3-yl)methyl]pyridine-4-carboxylic acid;3-[(4-fluoro-1-methylindazol-3-yl)methyl]pyridine-4-carboxylic acid;3-[[1-(2-methoxyethyl)indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[(6-methoxy-1-methylindazol-3-yl)methyl]pyridine-4-carboxylic acid;3-[(1-propylindazol-3-yl)methyl]pyridine-4-carboxylic acid
CID 162199239

Frequently Asked Questions

What is the IUPAC name of tris(carbon dioxide);4-[8-[[3,5-diethoxy-4-(4-fluorophenyl)phenyl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;8-[(6-methoxy-1-propan-2-ylindol-3-yl)methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;3-phenyl-8-[(5-phenylmethoxy-1-propan-2-ylindazol-3-yl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one;3-phenyl-8-[(4-phenylmethoxy-1-propan-2-ylindol-3-yl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of tris(carbon dioxide);4-[8-[[3,5-diethoxy-4-(4-fluorophenyl)phenyl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;8-[(6-methoxy-1-propan-2-ylindol-3-yl)methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;3-phenyl-8-[(5-phenylmethoxy-1-propan-2-ylindazol-3-yl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one;3-phenyl-8-[(4-phenylmethoxy-1-propan-2-ylindol-3-yl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one (CID 158885071) is tris(carbon dioxide);4-[8-[[3,5-diethoxy-4-(4-fluorophenyl)phenyl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;8-[(6-methoxy-1-propan-2-ylindol-3-yl)methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;3-phenyl-8-[(5-phenylmethoxy-1-propan-2-ylindazol-3-yl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one;3-phenyl-8-[(4-phenylmethoxy-1-propan-2-ylindol-3-yl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for tris(carbon dioxide);4-[8-[[3,5-diethoxy-4-(4-fluorophenyl)phenyl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;8-[(6-methoxy-1-propan-2-ylindol-3-yl)methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;3-phenyl-8-[(5-phenylmethoxy-1-propan-2-ylindazol-3-yl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one;3-phenyl-8-[(4-phenylmethoxy-1-propan-2-ylindol-3-yl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for tris(carbon dioxide);4-[8-[[3,5-diethoxy-4-(4-fluorophenyl)phenyl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;8-[(6-methoxy-1-propan-2-ylindol-3-yl)methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;3-phenyl-8-[(5-phenylmethoxy-1-propan-2-ylindazol-3-yl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one;3-phenyl-8-[(4-phenylmethoxy-1-propan-2-ylindol-3-yl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one is CC(C)n1cc(CN2CCC3(CC2)CN(c2ccccc2)C(=O)O3)c2c(OCc3ccccc3)cccc21.CC(C)n1nc(CN2CCC3(CC2)CN(c2ccccc2)C(=O)O3)c2cc(OCc3ccccc3)ccc21.CCOc1cc(CN2CCC3(CC2)CN(c2ccc(C(=O)O)cc2)C(=O)O3)cc(OCC)c1-c1ccc(F)cc1.COc1ccc2c(CN3CCC4(CC3)CN(c3ccccc3)C(=O)O4)cn(C(C)C)c2c1.O=C=O.O=C=O.O=C=O.
What is the InChIKey of tris(carbon dioxide);4-[8-[[3,5-diethoxy-4-(4-fluorophenyl)phenyl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;8-[(6-methoxy-1-propan-2-ylindol-3-yl)methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;3-phenyl-8-[(5-phenylmethoxy-1-propan-2-ylindazol-3-yl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one;3-phenyl-8-[(4-phenylmethoxy-1-propan-2-ylindol-3-yl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The InChIKey is JDNIRTRBNJOJKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H35N3O3.C31H33FN2O6.C31H34N4O3.C26H31N3O3.3CO2/c1-24(2)34-21-26(30-28(34)14-9-15-29(30)37-22-25-10-5-3-6-11-25)20-33-18-16-32(17-19-33)23-35(31(36)38-32)27-12-7-4-8-13-27;1-3-38-26-17-21(18-27(39-4-2)28(26)22-5-9-24(32)10-6-22)19-33-15-13-31(14-16-33)20-34(30(37)40-31)25-11-7-23(8-12-25)29(35)36;1-23(2)35-29-14-13-26(37-21-24-9-5-3-6-10-24)19-27(29)28(32-35)20-33-17-15-31(16-18-33)22-34(30(36)38-31)25-11-7-4-8-12-25;1-19(2)28-17-20(23-10-9-22(31-3)15-24(23)28)16-27-13-11-26(12-14-27)18-29(25(30)32-26)21-7-5-4-6-8-21;3*2-1-3/h3-15,21,24H,16-20,22-23H2,1-2H3;5-12,17-18H,3-4,13-16,19-20H2,1-2H3,(H,35,36);3-14,19,23H,15-18,20-22H2,1-2H3;4-10,15,17,19H,11-14,16,18H2,1-3H3;;;.
What are the key properties of tris(carbon dioxide);4-[8-[[3,5-diethoxy-4-(4-fluorophenyl)phenyl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;8-[(6-methoxy-1-propan-2-ylindol-3-yl)methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;3-phenyl-8-[(5-phenylmethoxy-1-propan-2-ylindazol-3-yl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one;3-phenyl-8-[(4-phenylmethoxy-1-propan-2-ylindol-3-yl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
tris(carbon dioxide);4-[8-[[3,5-diethoxy-4-(4-fluorophenyl)phenyl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;8-[(6-methoxy-1-propan-2-ylindol-3-yl)methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;3-phenyl-8-[(5-phenylmethoxy-1-propan-2-ylindazol-3-yl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one;3-phenyl-8-[(4-phenylmethoxy-1-propan-2-ylindol-3-yl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one has a molecular weight of 2134.48 g/mol, XLogP of 22.43, 28 rotatable bonds, 1 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for tris(carbon dioxide);4-[8-[[3,5-diethoxy-4-(4-fluorophenyl)phenyl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;8-[(6-methoxy-1-propan-2-ylindol-3-yl)methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;3-phenyl-8-[(5-phenylmethoxy-1-propan-2-ylindazol-3-yl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one;3-phenyl-8-[(4-phenylmethoxy-1-propan-2-ylindol-3-yl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 158885071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).