4-[8-[[1-butyl-3-(2,3,5-trifluorophenyl)pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[8-[[1-tert-butyl-3-(2,3,4-trifluorophenyl)pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]-2-fluorobenzoic acid;tris(carbon dioxide);8-[(8-chloro-4,4-dimethyl-2,3-dihydrochromen-6-yl)methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;8-[(8-fluoro-4,4-dimethyl-2,3-dihydrochromen-6-yl)methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;4-[2-oxo-8-[[1-(2,2,2-trifluoroethyl)-3-(2,3,4-trifluorophenyl)pyrazol-4-yl]methyl]-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;3-phenyl-8-[(4,4,8-trimethyl-2,3-dihydrochromen-6-yl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one

C161H169ClF14N18O27 — CID 158962580

IUPAC4-[8-[[1-butyl-3-(2,3,5-trifluorophenyl)pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[8-[[1-tert-butyl-3-(2,3,4-trifluorophenyl)pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]-2-fluorobenzoic acid;tris(carbon dioxide);8-[(8-chloro-4,4-dimethyl-2,3-dihydrochromen-6-yl)methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;8-[(8-fluoro-4,4-dimethyl-2,3-dihydrochromen-6-yl)methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;4-[2-oxo-8-[[1-(2,2,2-trifluoroethyl)-3-(2,3,4-trifluorophenyl)pyrazol-4-yl]methyl]-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;3-phenyl-8-[(4,4,8-trimethyl-2,3-dihydrochromen-6-yl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCC(C)(C)n1cc(CN2CCC3(CC2)CN(c2ccc(C(=O)O)c(F)c2)C(=O)O3)c(-c2ccc(F)c(F)c2F)n1.CC1(C)CCOc2c(Cl)cc(CN3CCC4(CC3)CN(c3ccccc3)C(=O)O4)cc21.CC1(C)CCOc2c(F)cc(CN3CCC4(CC3)CN(c3ccccc3)C(=O)O4)cc21.CCCCn1cc(CN2CCC3(CC2)CN(c2ccc(C(=O)O)cc2)C(=O)O3)c(-c2cc(F)cc(F)c2F)n1.Cc1cc(CN2CCC3(CC2)CN(c2ccccc2)C(=O)O3)cc2c1OCCC2(C)C.O=C(O)c1ccc(N2CC3(CCN(Cc4cn(CC(F)(F)F)nc4-c4ccc(F)c(F)c4F)CC3)OC2=O)cc1.O=C=O.O=C=O.O=C=O
InChIInChI=1S/C28H28F4N4O4.C28H29F3N4O4.C26H22F6N4O4.C26H32N2O3.C25H29ClN2O3.C25H29FN2O3.3CO2/c1-27(2,3)36-14-16(24(33-36)19-6-7-20(29)23(32)22(19)31)13-34-10-8-28(9-11-34)15-35(26(39)40-28)17-4-5-18(25(37)38)21(30)12-17;1-2-3-10-34-16-19(25(32-34)22-13-20(29)14-23(30)24(22)31)15-33-11-8-28(9-12-33)17-35(27(38)39-28)21-6-4-18(5-7-21)26(36)37;27-19-6-5-18(20(28)21(19)29)22-16(12-35(33-22)14-26(30,31)32)11-34-9-7-25(8-10-34)13-36(24(39)40-25)17-3-1-15(2-4-17)23(37)38;1-19-15-20(16-22-23(19)30-14-11-25(22,2)3)17-27-12-9-26(10-13-27)18-28(24(29)31-26)21-7-5-4-6-8-21;2*1-24(2)10-13-30-22-20(24)14-18(15-21(22)26)16-27-11-8-25(9-12-27)17-28(23(29)31-25)19-6-4-3-5-7-19;3*2-1-3/h4-7,12,14H,8-11,13,15H2,1-3H3,(H,37,38);4-7,13-14,16H,2-3,8-12,15,17H2,1H3,(H,36,37);1-6,12H,7-11,13-14H2,(H,37,38);4-8,15-16H,9-14,17-18H2,1-3H3;2*3-7,14-15H,8-13,16-17H2,1-2H3;;;
InChIKeyJMUNLHHITUOVCE-UHFFFAOYSA-N
MW3089.65 g/mol
LogP29.79
Rot. Bonds28

About 4-[8-[[1-butyl-3-(2,3,5-trifluorophenyl)pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[8-[[1-tert-butyl-3-(2,3,4-trifluorophenyl)pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]-2-fluorobenzoic acid;tris(carbon dioxide);8-[(8-chloro-4,4-dimethyl-2,3-dihydrochromen-6-yl)methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;8-[(8-fluoro-4,4-dimethyl-2,3-dihydrochromen-6-yl)methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;4-[2-oxo-8-[[1-(2,2,2-trifluoroethyl)-3-(2,3,4-trifluorophenyl)pyrazol-4-yl]methyl]-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;3-phenyl-8-[(4,4,8-trimethyl-2,3-dihydrochromen-6-yl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one

4-[8-[[1-butyl-3-(2,3,5-trifluorophenyl)pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[8-[[1-tert-butyl-3-(2,3,4-trifluorophenyl)pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]-2-fluorobenzoic acid;tris(carbon dioxide);8-[(8-chloro-4,4-dimethyl-2,3-dihydrochromen-6-yl)methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;8-[(8-fluoro-4,4-dimethyl-2,3-dihydrochromen-6-yl)methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;4-[2-oxo-8-[[1-(2,2,2-trifluoroethyl)-3-(2,3,4-trifluorophenyl)pyrazol-4-yl]methyl]-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;3-phenyl-8-[(4,4,8-trimethyl-2,3-dihydrochromen-6-yl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one (PubChem CID 158962580) has the molecular formula C161H169ClF14N18O27 and a molecular weight of 3089.65 g/mol. Its IUPAC name is 4-[8-[[1-butyl-3-(2,3,5-trifluorophenyl)pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[8-[[1-tert-butyl-3-(2,3,4-trifluorophenyl)pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]-2-fluorobenzoic acid;tris(carbon dioxide);8-[(8-chloro-4,4-dimethyl-2,3-dihydrochromen-6-yl)methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;8-[(8-fluoro-4,4-dimethyl-2,3-dihydrochromen-6-yl)methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;4-[2-oxo-8-[[1-(2,2,2-trifluoroethyl)-3-(2,3,4-trifluorophenyl)pyrazol-4-yl]methyl]-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;3-phenyl-8-[(4,4,8-trimethyl-2,3-dihydrochromen-6-yl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name4-[8-[[1-butyl-3-(2,3,5-trifluorophenyl)pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[8-[[1-tert-butyl-3-(2,3,4-trifluorophenyl)pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]-2-fluorobenzoic acid;tris(carbon dioxide);8-[(8-chloro-4,4-dimethyl-2,3-dihydrochromen-6-yl)methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;8-[(8-fluoro-4,4-dimethyl-2,3-dihydrochromen-6-yl)methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;4-[2-oxo-8-[[1-(2,2,2-trifluoroethyl)-3-(2,3,4-trifluorophenyl)pyrazol-4-yl]methyl]-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;3-phenyl-8-[(4,4,8-trimethyl-2,3-dihydrochromen-6-yl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
PubChem CID158962580
Molecular FormulaC161H169ClF14N18O27
Molecular Weight3089.65 g/mol
Exact Mass3087.19
IUPAC Name4-[8-[[1-butyl-3-(2,3,5-trifluorophenyl)pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[8-[[1-tert-butyl-3-(2,3,4-trifluorophenyl)pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]-2-fluorobenzoic acid;tris(carbon dioxide);8-[(8-chloro-4,4-dimethyl-2,3-dihydrochromen-6-yl)methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;8-[(8-fluoro-4,4-dimethyl-2,3-dihydrochromen-6-yl)methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;4-[2-oxo-8-[[1-(2,2,2-trifluoroethyl)-3-(2,3,4-trifluorophenyl)pyrazol-4-yl]methyl]-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;3-phenyl-8-[(4,4,8-trimethyl-2,3-dihydrochromen-6-yl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCC(C)(C)n1cc(CN2CCC3(CC2)CN(c2ccc(C(=O)O)c(F)c2)C(=O)O3)c(-c2ccc(F)c(F)c2F)n1.CC1(C)CCOc2c(Cl)cc(CN3CCC4(CC3)CN(c3ccccc3)C(=O)O4)cc21.CC1(C)CCOc2c(F)cc(CN3CCC4(CC3)CN(c3ccccc3)C(=O)O4)cc21.CCCCn1cc(CN2CCC3(CC2)CN(c2ccc(C(=O)O)cc2)C(=O)O3)c(-c2cc(F)cc(F)c2F)n1.Cc1cc(CN2CCC3(CC2)CN(c2ccccc2)C(=O)O3)cc2c1OCCC2(C)C.O=C(O)c1ccc(N2CC3(CCN(Cc4cn(CC(F)(F)F)nc4-c4ccc(F)c(F)c4F)CC3)OC2=O)cc1.O=C=O.O=C=O.O=C=O
InChIInChI=1S/C28H28F4N4O4.C28H29F3N4O4.C26H22F6N4O4.C26H32N2O3.C25H29ClN2O3.C25H29FN2O3.3CO2/c1-27(2,3)36-14-16(24(33-36)19-6-7-20(29)23(32)22(19)31)13-34-10-8-28(9-11-34)15-35(26(39)40-28)17-4-5-18(25(37)38)21(30)12-17;1-2-3-10-34-16-19(25(32-34)22-13-20(29)14-23(30)24(22)31)15-33-11-8-28(9-12-33)17-35(27(38)39-28)21-6-4-18(5-7-21)26(36)37;27-19-6-5-18(20(28)21(19)29)22-16(12-35(33-22)14-26(30,31)32)11-34-9-7-25(8-10-34)13-36(24(39)40-25)17-3-1-15(2-4-17)23(37)38;1-19-15-20(16-22-23(19)30-14-11-25(22,2)3)17-27-12-9-26(10-13-27)18-28(24(29)31-26)21-7-5-4-6-8-21;2*1-24(2)10-13-30-22-20(24)14-18(15-21(22)26)16-27-11-8-25(9-12-27)17-28(23(29)31-25)19-6-4-3-5-7-19;3*2-1-3/h4-7,12,14H,8-11,13,15H2,1-3H3,(H,37,38);4-7,13-14,16H,2-3,8-12,15,17H2,1H3,(H,36,37);1-6,12H,7-11,13-14H2,(H,37,38);4-8,15-16H,9-14,17-18H2,1-3H3;2*3-7,14-15H,8-13,16-17H2,1-2H3;;;
InChIKeyJMUNLHHITUOVCE-UHFFFAOYSA-N
XLogP29.79
TPSA492.15 Ų
H-Bond Donors3
H-Bond Acceptors36
Rotatable Bonds28
Heavy Atoms221
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003089.65
LogP ≤ 529.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1036

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'}

Analyze 4-[8-[[1-butyl-3-(2,3,5-trifluorophenyl)pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[8-[[1-tert-butyl-3-(2,3,4-trifluorophenyl)pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]-2-fluorobenzoic acid;tris(carbon dioxide);8-[(8-chloro-4,4-dimethyl-2,3-dihydrochromen-6-yl)methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;8-[(8-fluoro-4,4-dimethyl-2,3-dihydrochromen-6-yl)methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;4-[2-oxo-8-[[1-(2,2,2-trifluoroethyl)-3-(2,3,4-trifluorophenyl)pyrazol-4-yl]methyl]-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;3-phenyl-8-[(4,4,8-trimethyl-2,3-dihydrochromen-6-yl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[8-[[1-butyl-3-(2,3,5-trifluorophenyl)pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[8-[[1-tert-butyl-3-(2,3,4-trifluorophenyl)pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]-2-fluorobenzoic acid;tris(carbon dioxide);8-[(8-chloro-4,4-dimethyl-2,3-dihydrochromen-6-yl)methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;8-[(8-fluoro-4,4-dimethyl-2,3-dihydrochromen-6-yl)methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;4-[2-oxo-8-[[1-(2,2,2-trifluoroethyl)-3-(2,3,4-trifluorophenyl)pyrazol-4-yl]methyl]-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;3-phenyl-8-[(4,4,8-trimethyl-2,3-dihydrochromen-6-yl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 4-[8-[[1-butyl-3-(2,3,5-trifluorophenyl)pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[8-[[1-tert-butyl-3-(2,3,4-trifluorophenyl)pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]-2-fluorobenzoic acid;tris(carbon dioxide);8-[(8-chloro-4,4-dimethyl-2,3-dihydrochromen-6-yl)methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;8-[(8-fluoro-4,4-dimethyl-2,3-dihydrochromen-6-yl)methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;4-[2-oxo-8-[[1-(2,2,2-trifluoroethyl)-3-(2,3,4-trifluorophenyl)pyrazol-4-yl]methyl]-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;3-phenyl-8-[(4,4,8-trimethyl-2,3-dihydrochromen-6-yl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one (CID 158962580) is 4-[8-[[1-butyl-3-(2,3,5-trifluorophenyl)pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[8-[[1-tert-butyl-3-(2,3,4-trifluorophenyl)pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]-2-fluorobenzoic acid;tris(carbon dioxide);8-[(8-chloro-4,4-dimethyl-2,3-dihydrochromen-6-yl)methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;8-[(8-fluoro-4,4-dimethyl-2,3-dihydrochromen-6-yl)methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;4-[2-oxo-8-[[1-(2,2,2-trifluoroethyl)-3-(2,3,4-trifluorophenyl)pyrazol-4-yl]methyl]-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;3-phenyl-8-[(4,4,8-trimethyl-2,3-dihydrochromen-6-yl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 4-[8-[[1-butyl-3-(2,3,5-trifluorophenyl)pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[8-[[1-tert-butyl-3-(2,3,4-trifluorophenyl)pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]-2-fluorobenzoic acid;tris(carbon dioxide);8-[(8-chloro-4,4-dimethyl-2,3-dihydrochromen-6-yl)methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;8-[(8-fluoro-4,4-dimethyl-2,3-dihydrochromen-6-yl)methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;4-[2-oxo-8-[[1-(2,2,2-trifluoroethyl)-3-(2,3,4-trifluorophenyl)pyrazol-4-yl]methyl]-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;3-phenyl-8-[(4,4,8-trimethyl-2,3-dihydrochromen-6-yl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 4-[8-[[1-butyl-3-(2,3,5-trifluorophenyl)pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[8-[[1-tert-butyl-3-(2,3,4-trifluorophenyl)pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]-2-fluorobenzoic acid;tris(carbon dioxide);8-[(8-chloro-4,4-dimethyl-2,3-dihydrochromen-6-yl)methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;8-[(8-fluoro-4,4-dimethyl-2,3-dihydrochromen-6-yl)methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;4-[2-oxo-8-[[1-(2,2,2-trifluoroethyl)-3-(2,3,4-trifluorophenyl)pyrazol-4-yl]methyl]-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;3-phenyl-8-[(4,4,8-trimethyl-2,3-dihydrochromen-6-yl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one is CC(C)(C)n1cc(CN2CCC3(CC2)CN(c2ccc(C(=O)O)c(F)c2)C(=O)O3)c(-c2ccc(F)c(F)c2F)n1.CC1(C)CCOc2c(Cl)cc(CN3CCC4(CC3)CN(c3ccccc3)C(=O)O4)cc21.CC1(C)CCOc2c(F)cc(CN3CCC4(CC3)CN(c3ccccc3)C(=O)O4)cc21.CCCCn1cc(CN2CCC3(CC2)CN(c2ccc(C(=O)O)cc2)C(=O)O3)c(-c2cc(F)cc(F)c2F)n1.Cc1cc(CN2CCC3(CC2)CN(c2ccccc2)C(=O)O3)cc2c1OCCC2(C)C.O=C(O)c1ccc(N2CC3(CCN(Cc4cn(CC(F)(F)F)nc4-c4ccc(F)c(F)c4F)CC3)OC2=O)cc1.O=C=O.O=C=O.O=C=O.
What is the InChIKey of 4-[8-[[1-butyl-3-(2,3,5-trifluorophenyl)pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[8-[[1-tert-butyl-3-(2,3,4-trifluorophenyl)pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]-2-fluorobenzoic acid;tris(carbon dioxide);8-[(8-chloro-4,4-dimethyl-2,3-dihydrochromen-6-yl)methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;8-[(8-fluoro-4,4-dimethyl-2,3-dihydrochromen-6-yl)methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;4-[2-oxo-8-[[1-(2,2,2-trifluoroethyl)-3-(2,3,4-trifluorophenyl)pyrazol-4-yl]methyl]-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;3-phenyl-8-[(4,4,8-trimethyl-2,3-dihydrochromen-6-yl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The InChIKey is JMUNLHHITUOVCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28F4N4O4.C28H29F3N4O4.C26H22F6N4O4.C26H32N2O3.C25H29ClN2O3.C25H29FN2O3.3CO2/c1-27(2,3)36-14-16(24(33-36)19-6-7-20(29)23(32)22(19)31)13-34-10-8-28(9-11-34)15-35(26(39)40-28)17-4-5-18(25(37)38)21(30)12-17;1-2-3-10-34-16-19(25(32-34)22-13-20(29)14-23(30)24(22)31)15-33-11-8-28(9-12-33)17-35(27(38)39-28)21-6-4-18(5-7-21)26(36)37;27-19-6-5-18(20(28)21(19)29)22-16(12-35(33-22)14-26(30,31)32)11-34-9-7-25(8-10-34)13-36(24(39)40-25)17-3-1-15(2-4-17)23(37)38;1-19-15-20(16-22-23(19)30-14-11-25(22,2)3)17-27-12-9-26(10-13-27)18-28(24(29)31-26)21-7-5-4-6-8-21;2*1-24(2)10-13-30-22-20(24)14-18(15-21(22)26)16-27-11-8-25(9-12-27)17-28(23(29)31-25)19-6-4-3-5-7-19;3*2-1-3/h4-7,12,14H,8-11,13,15H2,1-3H3,(H,37,38);4-7,13-14,16H,2-3,8-12,15,17H2,1H3,(H,36,37);1-6,12H,7-11,13-14H2,(H,37,38);4-8,15-16H,9-14,17-18H2,1-3H3;2*3-7,14-15H,8-13,16-17H2,1-2H3;;;.
What are the key properties of 4-[8-[[1-butyl-3-(2,3,5-trifluorophenyl)pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[8-[[1-tert-butyl-3-(2,3,4-trifluorophenyl)pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]-2-fluorobenzoic acid;tris(carbon dioxide);8-[(8-chloro-4,4-dimethyl-2,3-dihydrochromen-6-yl)methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;8-[(8-fluoro-4,4-dimethyl-2,3-dihydrochromen-6-yl)methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;4-[2-oxo-8-[[1-(2,2,2-trifluoroethyl)-3-(2,3,4-trifluorophenyl)pyrazol-4-yl]methyl]-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;3-phenyl-8-[(4,4,8-trimethyl-2,3-dihydrochromen-6-yl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
4-[8-[[1-butyl-3-(2,3,5-trifluorophenyl)pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[8-[[1-tert-butyl-3-(2,3,4-trifluorophenyl)pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]-2-fluorobenzoic acid;tris(carbon dioxide);8-[(8-chloro-4,4-dimethyl-2,3-dihydrochromen-6-yl)methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;8-[(8-fluoro-4,4-dimethyl-2,3-dihydrochromen-6-yl)methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;4-[2-oxo-8-[[1-(2,2,2-trifluoroethyl)-3-(2,3,4-trifluorophenyl)pyrazol-4-yl]methyl]-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;3-phenyl-8-[(4,4,8-trimethyl-2,3-dihydrochromen-6-yl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one has a molecular weight of 3089.65 g/mol, XLogP of 29.79, 28 rotatable bonds, 3 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[8-[[1-butyl-3-(2,3,5-trifluorophenyl)pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[8-[[1-tert-butyl-3-(2,3,4-trifluorophenyl)pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]-2-fluorobenzoic acid;tris(carbon dioxide);8-[(8-chloro-4,4-dimethyl-2,3-dihydrochromen-6-yl)methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;8-[(8-fluoro-4,4-dimethyl-2,3-dihydrochromen-6-yl)methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;4-[2-oxo-8-[[1-(2,2,2-trifluoroethyl)-3-(2,3,4-trifluorophenyl)pyrazol-4-yl]methyl]-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;3-phenyl-8-[(4,4,8-trimethyl-2,3-dihydrochromen-6-yl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 158962580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).