8-[[1-tert-butyl-3-(4-chloro-2,5-difluorophenyl)pyrazol-4-yl]methyl]-3-[4-(2H-tetrazol-5-yl)phenyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one;4-[8-[[1-tert-butyl-3-(3-chloro-4-fluorophenyl)pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[8-[[1-tert-butyl-3-(2,4-difluorophenyl)pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;tris(carbon dioxide);8-[(4-ethoxy-8-methoxynaphthalen-2-yl)methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;8-[[5-ethoxy-4-methyl-2-(4-methylpyrazol-1-yl)phenyl]methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;3-phenyl-8-[(3,3,7-trimethyl-2H-1-benzofuran-5-yl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one

C166H181Cl2F5N24O26 — CID 157396969

IUPAC8-[[1-tert-butyl-3-(4-chloro-2,5-difluorophenyl)pyrazol-4-yl]methyl]-3-[4-(2H-tetrazol-5-yl)phenyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one;4-[8-[[1-tert-butyl-3-(3-chloro-4-fluorophenyl)pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[8-[[1-tert-butyl-3-(2,4-difluorophenyl)pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;tris(carbon dioxide);8-[(4-ethoxy-8-methoxynaphthalen-2-yl)methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;8-[[5-ethoxy-4-methyl-2-(4-methylpyrazol-1-yl)phenyl]methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;3-phenyl-8-[(3,3,7-trimethyl-2H-1-benzofuran-5-yl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCC(C)(C)n1cc(CN2CCC3(CC2)CN(c2ccc(-c4nn[nH]n4)cc2)C(=O)O3)c(-c2cc(F)c(Cl)cc2F)n1.CC(C)(C)n1cc(CN2CCC3(CC2)CN(c2ccc(C(=O)O)cc2)C(=O)O3)c(-c2ccc(F)c(Cl)c2)n1.CC(C)(C)n1cc(CN2CCC3(CC2)CN(c2ccc(C(=O)O)cc2)C(=O)O3)c(-c2ccc(F)cc2F)n1.CCOc1cc(CN2CCC3(CC2)CN(c2ccccc2)C(=O)O3)c(-n2cc(C)cn2)cc1C.CCOc1cc(CN2CCC3(CC2)CN(c2ccccc2)C(=O)O3)cc2c(OC)cccc12.Cc1cc(CN2CCC3(CC2)CN(c2ccccc2)C(=O)O3)cc2c1OCC2(C)C.O=C=O.O=C=O.O=C=O
InChIInChI=1S/C28H29ClF2N8O2.C28H30ClFN4O4.C28H30F2N4O4.C27H32N4O3.C27H30N2O4.C25H30N2O3.3CO2/c1-27(2,3)39-15-18(24(34-39)20-12-23(31)21(29)13-22(20)30)14-37-10-8-28(9-11-37)16-38(26(40)41-28)19-6-4-17(5-7-19)25-32-35-36-33-25;1-27(2,3)34-16-20(24(31-34)19-6-9-23(30)22(29)14-19)15-32-12-10-28(11-13-32)17-33(26(37)38-28)21-7-4-18(5-8-21)25(35)36;1-27(2,3)34-16-19(24(31-34)22-9-6-20(29)14-23(22)30)15-32-12-10-28(11-13-32)17-33(26(37)38-28)21-7-4-18(5-8-21)25(35)36;1-4-33-25-15-22(24(14-21(25)3)31-17-20(2)16-28-31)18-29-12-10-27(11-13-29)19-30(26(32)34-27)23-8-6-5-7-9-23;1-3-32-25-17-20(16-23-22(25)10-7-11-24(23)31-2)18-28-14-12-27(13-15-28)19-29(26(30)33-27)21-8-5-4-6-9-21;1-18-13-19(14-21-22(18)29-17-24(21,2)3)15-26-11-9-25(10-12-26)16-27(23(28)30-25)20-7-5-4-6-8-20;3*2-1-3/h4-7,12-13,15H,8-11,14,16H2,1-3H3,(H,32,33,35,36);2*4-9,14,16H,10-13,15,17H2,1-3H3,(H,35,36);5-9,14-17H,4,10-13,18-19H2,1-3H3;4-11,16-17H,3,12-15,18-19H2,1-2H3;4-8,13-14H,9-12,15-17H2,1-3H3;;;
InChIKeyBMRLSUJMVQUQTK-UHFFFAOYSA-N
MW3094.31 g/mol
LogP29.49
Rot. Bonds30

About 8-[[1-tert-butyl-3-(4-chloro-2,5-difluorophenyl)pyrazol-4-yl]methyl]-3-[4-(2H-tetrazol-5-yl)phenyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one;4-[8-[[1-tert-butyl-3-(3-chloro-4-fluorophenyl)pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[8-[[1-tert-butyl-3-(2,4-difluorophenyl)pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;tris(carbon dioxide);8-[(4-ethoxy-8-methoxynaphthalen-2-yl)methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;8-[[5-ethoxy-4-methyl-2-(4-methylpyrazol-1-yl)phenyl]methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;3-phenyl-8-[(3,3,7-trimethyl-2H-1-benzofuran-5-yl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one

8-[[1-tert-butyl-3-(4-chloro-2,5-difluorophenyl)pyrazol-4-yl]methyl]-3-[4-(2H-tetrazol-5-yl)phenyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one;4-[8-[[1-tert-butyl-3-(3-chloro-4-fluorophenyl)pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[8-[[1-tert-butyl-3-(2,4-difluorophenyl)pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;tris(carbon dioxide);8-[(4-ethoxy-8-methoxynaphthalen-2-yl)methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;8-[[5-ethoxy-4-methyl-2-(4-methylpyrazol-1-yl)phenyl]methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;3-phenyl-8-[(3,3,7-trimethyl-2H-1-benzofuran-5-yl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one (PubChem CID 157396969) has the molecular formula C166H181Cl2F5N24O26 and a molecular weight of 3094.31 g/mol. Its IUPAC name is 8-[[1-tert-butyl-3-(4-chloro-2,5-difluorophenyl)pyrazol-4-yl]methyl]-3-[4-(2H-tetrazol-5-yl)phenyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one;4-[8-[[1-tert-butyl-3-(3-chloro-4-fluorophenyl)pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[8-[[1-tert-butyl-3-(2,4-difluorophenyl)pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;tris(carbon dioxide);8-[(4-ethoxy-8-methoxynaphthalen-2-yl)methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;8-[[5-ethoxy-4-methyl-2-(4-methylpyrazol-1-yl)phenyl]methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;3-phenyl-8-[(3,3,7-trimethyl-2H-1-benzofuran-5-yl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name8-[[1-tert-butyl-3-(4-chloro-2,5-difluorophenyl)pyrazol-4-yl]methyl]-3-[4-(2H-tetrazol-5-yl)phenyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one;4-[8-[[1-tert-butyl-3-(3-chloro-4-fluorophenyl)pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[8-[[1-tert-butyl-3-(2,4-difluorophenyl)pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;tris(carbon dioxide);8-[(4-ethoxy-8-methoxynaphthalen-2-yl)methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;8-[[5-ethoxy-4-methyl-2-(4-methylpyrazol-1-yl)phenyl]methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;3-phenyl-8-[(3,3,7-trimethyl-2H-1-benzofuran-5-yl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
PubChem CID157396969
Molecular FormulaC166H181Cl2F5N24O26
Molecular Weight3094.31 g/mol
Exact Mass3091.29
IUPAC Name8-[[1-tert-butyl-3-(4-chloro-2,5-difluorophenyl)pyrazol-4-yl]methyl]-3-[4-(2H-tetrazol-5-yl)phenyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one;4-[8-[[1-tert-butyl-3-(3-chloro-4-fluorophenyl)pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[8-[[1-tert-butyl-3-(2,4-difluorophenyl)pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;tris(carbon dioxide);8-[(4-ethoxy-8-methoxynaphthalen-2-yl)methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;8-[[5-ethoxy-4-methyl-2-(4-methylpyrazol-1-yl)phenyl]methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;3-phenyl-8-[(3,3,7-trimethyl-2H-1-benzofuran-5-yl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCC(C)(C)n1cc(CN2CCC3(CC2)CN(c2ccc(-c4nn[nH]n4)cc2)C(=O)O3)c(-c2cc(F)c(Cl)cc2F)n1.CC(C)(C)n1cc(CN2CCC3(CC2)CN(c2ccc(C(=O)O)cc2)C(=O)O3)c(-c2ccc(F)c(Cl)c2)n1.CC(C)(C)n1cc(CN2CCC3(CC2)CN(c2ccc(C(=O)O)cc2)C(=O)O3)c(-c2ccc(F)cc2F)n1.CCOc1cc(CN2CCC3(CC2)CN(c2ccccc2)C(=O)O3)c(-n2cc(C)cn2)cc1C.CCOc1cc(CN2CCC3(CC2)CN(c2ccccc2)C(=O)O3)cc2c(OC)cccc12.Cc1cc(CN2CCC3(CC2)CN(c2ccccc2)C(=O)O3)cc2c1OCC2(C)C.O=C=O.O=C=O.O=C=O
InChIInChI=1S/C28H29ClF2N8O2.C28H30ClFN4O4.C28H30F2N4O4.C27H32N4O3.C27H30N2O4.C25H30N2O3.3CO2/c1-27(2,3)39-15-18(24(34-39)20-12-23(31)21(29)13-22(20)30)14-37-10-8-28(9-11-37)16-38(26(40)41-28)19-6-4-17(5-7-19)25-32-35-36-33-25;1-27(2,3)34-16-20(24(31-34)19-6-9-23(30)22(29)14-19)15-32-12-10-28(11-13-32)17-33(26(37)38-28)21-7-4-18(5-8-21)25(35)36;1-27(2,3)34-16-19(24(31-34)22-9-6-20(29)14-23(22)30)15-32-12-10-28(11-13-32)17-33(26(37)38-28)21-7-4-18(5-8-21)25(35)36;1-4-33-25-15-22(24(14-21(25)3)31-17-20(2)16-28-31)18-29-12-10-27(11-13-29)19-30(26(32)34-27)23-8-6-5-7-9-23;1-3-32-25-17-20(16-23-22(25)10-7-11-24(23)31-2)18-28-14-12-27(13-15-28)19-29(26(30)33-27)21-8-5-4-6-9-21;1-18-13-19(14-21-22(18)29-17-24(21,2)3)15-26-11-9-25(10-12-26)16-27(23(28)30-25)20-7-5-4-6-8-20;3*2-1-3/h4-7,12-13,15H,8-11,14,16H2,1-3H3,(H,32,33,35,36);2*4-9,14,16H,10-13,15,17H2,1-3H3,(H,35,36);5-9,14-17H,4,10-13,18-19H2,1-3H3;4-11,16-17H,3,12-15,18-19H2,1-2H3;4-8,13-14H,9-12,15-17H2,1-3H3;;;
InChIKeyBMRLSUJMVQUQTK-UHFFFAOYSA-N
XLogP29.49
TPSA536.36 Ų
H-Bond Donors3
H-Bond Acceptors41
Rotatable Bonds30
Heavy Atoms223
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003094.31
LogP ≤ 529.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1041

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze 8-[[1-tert-butyl-3-(4-chloro-2,5-difluorophenyl)pyrazol-4-yl]methyl]-3-[4-(2H-tetrazol-5-yl)phenyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one;4-[8-[[1-tert-butyl-3-(3-chloro-4-fluorophenyl)pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[8-[[1-tert-butyl-3-(2,4-difluorophenyl)pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;tris(carbon dioxide);8-[(4-ethoxy-8-methoxynaphthalen-2-yl)methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;8-[[5-ethoxy-4-methyl-2-(4-methylpyrazol-1-yl)phenyl]methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;3-phenyl-8-[(3,3,7-trimethyl-2H-1-benzofuran-5-yl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 8-[[1-tert-butyl-3-(4-chloro-2,5-difluorophenyl)pyrazol-4-yl]methyl]-3-[4-(2H-tetrazol-5-yl)phenyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one;4-[8-[[1-tert-butyl-3-(3-chloro-4-fluorophenyl)pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[8-[[1-tert-butyl-3-(2,4-difluorophenyl)pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;tris(carbon dioxide);8-[(4-ethoxy-8-methoxynaphthalen-2-yl)methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;8-[[5-ethoxy-4-methyl-2-(4-methylpyrazol-1-yl)phenyl]methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;3-phenyl-8-[(3,3,7-trimethyl-2H-1-benzofuran-5-yl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 8-[[1-tert-butyl-3-(4-chloro-2,5-difluorophenyl)pyrazol-4-yl]methyl]-3-[4-(2H-tetrazol-5-yl)phenyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one;4-[8-[[1-tert-butyl-3-(3-chloro-4-fluorophenyl)pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[8-[[1-tert-butyl-3-(2,4-difluorophenyl)pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;tris(carbon dioxide);8-[(4-ethoxy-8-methoxynaphthalen-2-yl)methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;8-[[5-ethoxy-4-methyl-2-(4-methylpyrazol-1-yl)phenyl]methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;3-phenyl-8-[(3,3,7-trimethyl-2H-1-benzofuran-5-yl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one (CID 157396969) is 8-[[1-tert-butyl-3-(4-chloro-2,5-difluorophenyl)pyrazol-4-yl]methyl]-3-[4-(2H-tetrazol-5-yl)phenyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one;4-[8-[[1-tert-butyl-3-(3-chloro-4-fluorophenyl)pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[8-[[1-tert-butyl-3-(2,4-difluorophenyl)pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;tris(carbon dioxide);8-[(4-ethoxy-8-methoxynaphthalen-2-yl)methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;8-[[5-ethoxy-4-methyl-2-(4-methylpyrazol-1-yl)phenyl]methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;3-phenyl-8-[(3,3,7-trimethyl-2H-1-benzofuran-5-yl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 8-[[1-tert-butyl-3-(4-chloro-2,5-difluorophenyl)pyrazol-4-yl]methyl]-3-[4-(2H-tetrazol-5-yl)phenyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one;4-[8-[[1-tert-butyl-3-(3-chloro-4-fluorophenyl)pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[8-[[1-tert-butyl-3-(2,4-difluorophenyl)pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;tris(carbon dioxide);8-[(4-ethoxy-8-methoxynaphthalen-2-yl)methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;8-[[5-ethoxy-4-methyl-2-(4-methylpyrazol-1-yl)phenyl]methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;3-phenyl-8-[(3,3,7-trimethyl-2H-1-benzofuran-5-yl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 8-[[1-tert-butyl-3-(4-chloro-2,5-difluorophenyl)pyrazol-4-yl]methyl]-3-[4-(2H-tetrazol-5-yl)phenyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one;4-[8-[[1-tert-butyl-3-(3-chloro-4-fluorophenyl)pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[8-[[1-tert-butyl-3-(2,4-difluorophenyl)pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;tris(carbon dioxide);8-[(4-ethoxy-8-methoxynaphthalen-2-yl)methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;8-[[5-ethoxy-4-methyl-2-(4-methylpyrazol-1-yl)phenyl]methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;3-phenyl-8-[(3,3,7-trimethyl-2H-1-benzofuran-5-yl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one is CC(C)(C)n1cc(CN2CCC3(CC2)CN(c2ccc(-c4nn[nH]n4)cc2)C(=O)O3)c(-c2cc(F)c(Cl)cc2F)n1.CC(C)(C)n1cc(CN2CCC3(CC2)CN(c2ccc(C(=O)O)cc2)C(=O)O3)c(-c2ccc(F)c(Cl)c2)n1.CC(C)(C)n1cc(CN2CCC3(CC2)CN(c2ccc(C(=O)O)cc2)C(=O)O3)c(-c2ccc(F)cc2F)n1.CCOc1cc(CN2CCC3(CC2)CN(c2ccccc2)C(=O)O3)c(-n2cc(C)cn2)cc1C.CCOc1cc(CN2CCC3(CC2)CN(c2ccccc2)C(=O)O3)cc2c(OC)cccc12.Cc1cc(CN2CCC3(CC2)CN(c2ccccc2)C(=O)O3)cc2c1OCC2(C)C.O=C=O.O=C=O.O=C=O.
What is the InChIKey of 8-[[1-tert-butyl-3-(4-chloro-2,5-difluorophenyl)pyrazol-4-yl]methyl]-3-[4-(2H-tetrazol-5-yl)phenyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one;4-[8-[[1-tert-butyl-3-(3-chloro-4-fluorophenyl)pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[8-[[1-tert-butyl-3-(2,4-difluorophenyl)pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;tris(carbon dioxide);8-[(4-ethoxy-8-methoxynaphthalen-2-yl)methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;8-[[5-ethoxy-4-methyl-2-(4-methylpyrazol-1-yl)phenyl]methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;3-phenyl-8-[(3,3,7-trimethyl-2H-1-benzofuran-5-yl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The InChIKey is BMRLSUJMVQUQTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29ClF2N8O2.C28H30ClFN4O4.C28H30F2N4O4.C27H32N4O3.C27H30N2O4.C25H30N2O3.3CO2/c1-27(2,3)39-15-18(24(34-39)20-12-23(31)21(29)13-22(20)30)14-37-10-8-28(9-11-37)16-38(26(40)41-28)19-6-4-17(5-7-19)25-32-35-36-33-25;1-27(2,3)34-16-20(24(31-34)19-6-9-23(30)22(29)14-19)15-32-12-10-28(11-13-32)17-33(26(37)38-28)21-7-4-18(5-8-21)25(35)36;1-27(2,3)34-16-19(24(31-34)22-9-6-20(29)14-23(22)30)15-32-12-10-28(11-13-32)17-33(26(37)38-28)21-7-4-18(5-8-21)25(35)36;1-4-33-25-15-22(24(14-21(25)3)31-17-20(2)16-28-31)18-29-12-10-27(11-13-29)19-30(26(32)34-27)23-8-6-5-7-9-23;1-3-32-25-17-20(16-23-22(25)10-7-11-24(23)31-2)18-28-14-12-27(13-15-28)19-29(26(30)33-27)21-8-5-4-6-9-21;1-18-13-19(14-21-22(18)29-17-24(21,2)3)15-26-11-9-25(10-12-26)16-27(23(28)30-25)20-7-5-4-6-8-20;3*2-1-3/h4-7,12-13,15H,8-11,14,16H2,1-3H3,(H,32,33,35,36);2*4-9,14,16H,10-13,15,17H2,1-3H3,(H,35,36);5-9,14-17H,4,10-13,18-19H2,1-3H3;4-11,16-17H,3,12-15,18-19H2,1-2H3;4-8,13-14H,9-12,15-17H2,1-3H3;;;.
What are the key properties of 8-[[1-tert-butyl-3-(4-chloro-2,5-difluorophenyl)pyrazol-4-yl]methyl]-3-[4-(2H-tetrazol-5-yl)phenyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one;4-[8-[[1-tert-butyl-3-(3-chloro-4-fluorophenyl)pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[8-[[1-tert-butyl-3-(2,4-difluorophenyl)pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;tris(carbon dioxide);8-[(4-ethoxy-8-methoxynaphthalen-2-yl)methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;8-[[5-ethoxy-4-methyl-2-(4-methylpyrazol-1-yl)phenyl]methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;3-phenyl-8-[(3,3,7-trimethyl-2H-1-benzofuran-5-yl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
8-[[1-tert-butyl-3-(4-chloro-2,5-difluorophenyl)pyrazol-4-yl]methyl]-3-[4-(2H-tetrazol-5-yl)phenyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one;4-[8-[[1-tert-butyl-3-(3-chloro-4-fluorophenyl)pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[8-[[1-tert-butyl-3-(2,4-difluorophenyl)pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;tris(carbon dioxide);8-[(4-ethoxy-8-methoxynaphthalen-2-yl)methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;8-[[5-ethoxy-4-methyl-2-(4-methylpyrazol-1-yl)phenyl]methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;3-phenyl-8-[(3,3,7-trimethyl-2H-1-benzofuran-5-yl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one has a molecular weight of 3094.31 g/mol, XLogP of 29.49, 30 rotatable bonds, 3 hydrogen bond donors, and 41 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[[1-tert-butyl-3-(4-chloro-2,5-difluorophenyl)pyrazol-4-yl]methyl]-3-[4-(2H-tetrazol-5-yl)phenyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one;4-[8-[[1-tert-butyl-3-(3-chloro-4-fluorophenyl)pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[8-[[1-tert-butyl-3-(2,4-difluorophenyl)pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;tris(carbon dioxide);8-[(4-ethoxy-8-methoxynaphthalen-2-yl)methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;8-[[5-ethoxy-4-methyl-2-(4-methylpyrazol-1-yl)phenyl]methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;3-phenyl-8-[(3,3,7-trimethyl-2H-1-benzofuran-5-yl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 157396969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).