4-[8-[[1-tert-butyl-3-(3-chloro-4-fluorophenyl)pyrazol-4-yl]methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl]benzoic acid;4-[8-[[1-tert-butyl-3-(2,3,4-trifluorophenyl)pyrazol-4-yl]methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl]benzoic acid;4-[8-[(3,4-dichloro-5-ethoxyphenyl)methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl]benzoic acid;6-[8-[[3,5-diethoxy-4-(4-fluorophenyl)phenyl]methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl]pyridin-1-ium-3-carboxylic acid;methyl 6-[8-[[1-tert-butyl-3-(2,3,4-trifluorophenyl)pyrazol-4-yl]methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl]pyridine-3-carboxylate;methyl 6-[8-[[3,5-diethoxy-4-(4-fluorophenyl)phenyl]methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl]pyridine-3-carboxylate

C₁₆₈H₁₈₀Cl₃F₉N₂₁O₂₃+ — CID 159625626

About 4-[8-[[1-tert-butyl-3-(3-chloro-4-fluorophenyl)pyrazol-4-yl]methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl]benzoic acid;4-[8-[[1-tert-butyl-3-(2,3,4-trifluorophenyl)pyrazol-4-yl]methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl]benzoic acid;4-[8-[(3,4-dichloro-5-ethoxyphenyl)methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl]benzoic acid;6-[8-[[3,5-diethoxy-4-(4-fluorophenyl)phenyl]methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl]pyridin-1-ium-3-carboxylic acid;methyl 6-[8-[[1-tert-butyl-3-(2,3,4-trifluorophenyl)pyrazol-4-yl]methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl]pyridine-3-carboxylate;methyl 6-[8-[[3,5-diethoxy-4-(4-fluorophenyl)phenyl]methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl]pyridine-3-carboxylate

4-[8-[[1-tert-butyl-3-(3-chloro-4-fluorophenyl)pyrazol-4-yl]methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl]benzoic acid;4-[8-[[1-tert-butyl-3-(2,3,4-trifluorophenyl)pyrazol-4-yl]methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl]benzoic acid;4-[8-[(3,4-dichloro-5-ethoxyphenyl)methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl]benzoic acid;6-[8-[[3,5-diethoxy-4-(4-fluorophenyl)phenyl]methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl]pyridin-1-ium-3-carboxylic acid;methyl 6-[8-[[1-tert-butyl-3-(2,3,4-trifluorophenyl)pyrazol-4-yl]methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl]pyridine-3-carboxylate;methyl 6-[8-[[3,5-diethoxy-4-(4-fluorophenyl)phenyl]methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl]pyridine-3-carboxylate (PubChem CID 159625626) has the molecular formula C₁₆₈H₁₈₀Cl₃F₉N₂₁O₂₃+ and a molecular weight of 3138.75 g/mol. Its IUPAC name is 4-[8-[[1-tert-butyl-3-(3-chloro-4-fluorophenyl)pyrazol-4-yl]methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl]benzoic acid;4-[8-[[1-tert-butyl-3-(2,3,4-trifluorophenyl)pyrazol-4-yl]methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl]benzoic acid;4-[8-[(3,4-dichloro-5-ethoxyphenyl)methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl]benzoic acid;6-[8-[[3,5-diethoxy-4-(4-fluorophenyl)phenyl]methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl]pyridin-1-ium-3-carboxylic acid;methyl 6-[8-[[1-tert-butyl-3-(2,3,4-trifluorophenyl)pyrazol-4-yl]methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl]pyridine-3-carboxylate;methyl 6-[8-[[3,5-diethoxy-4-(4-fluorophenyl)phenyl]methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl]pyridine-3-carboxylate.

Molecular Properties

• Compound Name: 4-[8-[[1-tert-butyl-3-(3-chloro-4-fluorophenyl)pyrazol-4-yl]methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl]benzoic acid;4-[8-[[1-tert-butyl-3-(2,3,4-trifluorophenyl)pyrazol-4-yl]methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl]benzoic acid;4-[8-[(3,4-dichloro-5-ethoxyphenyl)methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl]benzoic acid;6-[8-[[3,5-diethoxy-4-(4-fluorophenyl)phenyl]methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl]pyridin-1-ium-3-carboxylic acid;methyl 6-[8-[[1-tert-butyl-3-(2,3,4-trifluorophenyl)pyrazol-4-yl]methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl]pyridine-3-carboxylate;methyl 6-[8-[[3,5-diethoxy-4-(4-fluorophenyl)phenyl]methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl]pyridine-3-carboxylate
• PubChem CID: 159625626
• Molecular Formula: C₁₆₈H₁₈₀Cl₃F₉N₂₁O₂₃+
• Molecular Weight: 3138.75 g/mol
• Exact Mass: 3135.25
• IUPAC Name: 4-[8-[[1-tert-butyl-3-(3-chloro-4-fluorophenyl)pyrazol-4-yl]methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl]benzoic acid;4-[8-[[1-tert-butyl-3-(2,3,4-trifluorophenyl)pyrazol-4-yl]methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl]benzoic acid;4-[8-[(3,4-dichloro-5-ethoxyphenyl)methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl]benzoic acid;6-[8-[[3,5-diethoxy-4-(4-fluorophenyl)phenyl]methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl]pyridin-1-ium-3-carboxylic acid;methyl 6-[8-[[1-tert-butyl-3-(2,3,4-trifluorophenyl)pyrazol-4-yl]methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl]pyridine-3-carboxylate;methyl 6-[8-[[3,5-diethoxy-4-(4-fluorophenyl)phenyl]methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl]pyridine-3-carboxylate
• SMILES: CC(C)(C)n1cc(CN2CCC3(CC2)CC(c2ccc(C(=O)O)cc2)=NO3)c(-c2ccc(F)c(Cl)c2)n1.CC(C)(C)n1cc(CN2CCC3(CC2)CC(c2ccc(C(=O)O)cc2)=NO3)c(-c2ccc(F)c(F)c2F)n1.CCOc1cc(CN2CCC3(CC2)CC(c2ccc(C(=O)O)c[nH+]2)=NO3)cc(OCC)c1-c1ccc(F)cc1.CCOc1cc(CN2CCC3(CC2)CC(c2ccc(C(=O)O)cc2)=NO3)cc(Cl)c1Cl.CCOc1cc(CN2CCC3(CC2)CC(c2ccc(C(=O)OC)cn2)=NO3)cc(OCC)c1-c1ccc(F)cc1.COC(=O)c1ccc(C2=NOC3(CCN(Cc4cn(C(C)(C)C)nc4-c4ccc(F)c(F)c4F)CC3)C2)nc1
• InChI: InChI=1S/C31H34FN3O5.C30H32FN3O5.C28H30ClFN4O3.C28H30F3N5O3.C28H29F3N4O3.C23H24Cl2N2O4/c1-4-38-27-16-21(17-28(39-5-2)29(27)22-6-9-24(32)10-7-22)20-35-14-12-31(13-15-35)18-26(34-40-31)25-11-8-23(19-33-25)30(36)37-3;1-3-37-26-15-20(16-27(38-4-2)28(26)21-5-8-23(31)9-6-21)19-34-13-11-30(12-14-34)17-25(33-39-30)24-10-7-22(18-32-24)29(35)36;1-27(2,3)34-17-21(25(31-34)20-8-9-23(30)22(29)14-20)16-33-12-10-28(11-13-33)15-24(32-37-28)18-4-6-19(7-5-18)26(35)36;1-27(2,3)36-16-18(25(33-36)19-6-7-20(29)24(31)23(19)30)15-35-11-9-28(10-12-35)13-22(34-39-28)21-8-5-17(14-32-21)26(37)38-4;1-27(2,3)35-16-19(25(32-35)20-8-9-21(29)24(31)23(20)30)15-34-12-10-28(11-13-34)14-22(33-38-28)17-4-6-18(7-5-17)26(36)37;1-2-30-20-12-15(11-18(24)21(20)25)14-27-9-7-23(8-10-27)13-19(26-31-23)16-3-5-17(6-4-16)22(28)29/h6-11,16-17,19H,4-5,12-15,18,20H2,1-3H3;5-10,15-16,18H,3-4,11-14,17,19H2,1-2H3,(H,35,36);4-9,14,17H,10-13,15-16H2,1-3H3,(H,35,36);5-8,14,16H,9-13,15H2,1-4H3;4-9,16H,10-15H2,1-3H3,(H,36,37);3-6,11-12H,2,7-10,13-14H2,1H3,(H,28,29)/p+1
• InChIKey: MOLJMGINYJHKNE-UHFFFAOYSA-O
• XLogP: 32.44
• TPSA: 490.31 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 39
• Rotatable Bonds: 39
• Heavy Atoms: 224
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3138.75
LogP ≤ 5	32.44
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	39

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[8-[[1-tert-butyl-3-(3-chloro-4-fluorophenyl)pyrazol-4-yl]methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl]benzoic acid;4-[8-[[1-tert-butyl-3-(2,3,4-trifluorophenyl)pyrazol-4-yl]methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl]benzoic acid;4-[8-[(3,4-dichloro-5-ethoxyphenyl)methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl]benzoic acid;6-[8-[[3,5-diethoxy-4-(4-fluorophenyl)phenyl]methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl]pyridin-1-ium-3-carboxylic acid;methyl 6-[8-[[1-tert-butyl-3-(2,3,4-trifluorophenyl)pyrazol-4-yl]methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl]pyridine-3-carboxylate;methyl 6-[8-[[3,5-diethoxy-4-(4-fluorophenyl)phenyl]methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl]pyridine-3-carboxylate?

The IUPAC name of 4-[8-[[1-tert-butyl-3-(3-chloro-4-fluorophenyl)pyrazol-4-yl]methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl]benzoic acid;4-[8-[[1-tert-butyl-3-(2,3,4-trifluorophenyl)pyrazol-4-yl]methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl]benzoic acid;4-[8-[(3,4-dichloro-5-ethoxyphenyl)methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl]benzoic acid;6-[8-[[3,5-diethoxy-4-(4-fluorophenyl)phenyl]methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl]pyridin-1-ium-3-carboxylic acid;methyl 6-[8-[[1-tert-butyl-3-(2,3,4-trifluorophenyl)pyrazol-4-yl]methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl]pyridine-3-carboxylate;methyl 6-[8-[[3,5-diethoxy-4-(4-fluorophenyl)phenyl]methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl]pyridine-3-carboxylate (CID 159625626) is 4-[8-[[1-tert-butyl-3-(3-chloro-4-fluorophenyl)pyrazol-4-yl]methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl]benzoic acid;4-[8-[[1-tert-butyl-3-(2,3,4-trifluorophenyl)pyrazol-4-yl]methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl]benzoic acid;4-[8-[(3,4-dichloro-5-ethoxyphenyl)methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl]benzoic acid;6-[8-[[3,5-diethoxy-4-(4-fluorophenyl)phenyl]methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl]pyridin-1-ium-3-carboxylic acid;methyl 6-[8-[[1-tert-butyl-3-(2,3,4-trifluorophenyl)pyrazol-4-yl]methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl]pyridine-3-carboxylate;methyl 6-[8-[[3,5-diethoxy-4-(4-fluorophenyl)phenyl]methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl]pyridine-3-carboxylate.

What is the SMILES notation for 4-[8-[[1-tert-butyl-3-(3-chloro-4-fluorophenyl)pyrazol-4-yl]methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl]benzoic acid;4-[8-[[1-tert-butyl-3-(2,3,4-trifluorophenyl)pyrazol-4-yl]methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl]benzoic acid;4-[8-[(3,4-dichloro-5-ethoxyphenyl)methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl]benzoic acid;6-[8-[[3,5-diethoxy-4-(4-fluorophenyl)phenyl]methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl]pyridin-1-ium-3-carboxylic acid;methyl 6-[8-[[1-tert-butyl-3-(2,3,4-trifluorophenyl)pyrazol-4-yl]methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl]pyridine-3-carboxylate;methyl 6-[8-[[3,5-diethoxy-4-(4-fluorophenyl)phenyl]methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl]pyridine-3-carboxylate?

The canonical SMILES for 4-[8-[[1-tert-butyl-3-(3-chloro-4-fluorophenyl)pyrazol-4-yl]methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl]benzoic acid;4-[8-[[1-tert-butyl-3-(2,3,4-trifluorophenyl)pyrazol-4-yl]methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl]benzoic acid;4-[8-[(3,4-dichloro-5-ethoxyphenyl)methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl]benzoic acid;6-[8-[[3,5-diethoxy-4-(4-fluorophenyl)phenyl]methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl]pyridin-1-ium-3-carboxylic acid;methyl 6-[8-[[1-tert-butyl-3-(2,3,4-trifluorophenyl)pyrazol-4-yl]methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl]pyridine-3-carboxylate;methyl 6-[8-[[3,5-diethoxy-4-(4-fluorophenyl)phenyl]methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl]pyridine-3-carboxylate is CC(C)(C)n1cc(CN2CCC3(CC2)CC(c2ccc(C(=O)O)cc2)=NO3)c(-c2ccc(F)c(Cl)c2)n1.CC(C)(C)n1cc(CN2CCC3(CC2)CC(c2ccc(C(=O)O)cc2)=NO3)c(-c2ccc(F)c(F)c2F)n1.CCOc1cc(CN2CCC3(CC2)CC(c2ccc(C(=O)O)c[nH+]2)=NO3)cc(OCC)c1-c1ccc(F)cc1.CCOc1cc(CN2CCC3(CC2)CC(c2ccc(C(=O)O)cc2)=NO3)cc(Cl)c1Cl.CCOc1cc(CN2CCC3(CC2)CC(c2ccc(C(=O)OC)cn2)=NO3)cc(OCC)c1-c1ccc(F)cc1.COC(=O)c1ccc(C2=NOC3(CCN(Cc4cn(C(C)(C)C)nc4-c4ccc(F)c(F)c4F)CC3)C2)nc1.

What is the InChIKey of 4-[8-[[1-tert-butyl-3-(3-chloro-4-fluorophenyl)pyrazol-4-yl]methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl]benzoic acid;4-[8-[[1-tert-butyl-3-(2,3,4-trifluorophenyl)pyrazol-4-yl]methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl]benzoic acid;4-[8-[(3,4-dichloro-5-ethoxyphenyl)methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl]benzoic acid;6-[8-[[3,5-diethoxy-4-(4-fluorophenyl)phenyl]methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl]pyridin-1-ium-3-carboxylic acid;methyl 6-[8-[[1-tert-butyl-3-(2,3,4-trifluorophenyl)pyrazol-4-yl]methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl]pyridine-3-carboxylate;methyl 6-[8-[[3,5-diethoxy-4-(4-fluorophenyl)phenyl]methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl]pyridine-3-carboxylate?

The InChIKey is MOLJMGINYJHKNE-UHFFFAOYSA-O. The full InChI is InChI=1S/C31H34FN3O5.C30H32FN3O5.C28H30ClFN4O3.C28H30F3N5O3.C28H29F3N4O3.C23H24Cl2N2O4/c1-4-38-27-16-21(17-28(39-5-2)29(27)22-6-9-24(32)10-7-22)20-35-14-12-31(13-15-35)18-26(34-40-31)25-11-8-23(19-33-25)30(36)37-3;1-3-37-26-15-20(16-27(38-4-2)28(26)21-5-8-23(31)9-6-21)19-34-13-11-30(12-14-34)17-25(33-39-30)24-10-7-22(18-32-24)29(35)36;1-27(2,3)34-17-21(25(31-34)20-8-9-23(30)22(29)14-20)16-33-12-10-28(11-13-33)15-24(32-37-28)18-4-6-19(7-5-18)26(35)36;1-27(2,3)36-16-18(25(33-36)19-6-7-20(29)24(31)23(19)30)15-35-11-9-28(10-12-35)13-22(34-39-28)21-8-5-17(14-32-21)26(37)38-4;1-27(2,3)35-16-19(25(32-35)20-8-9-21(29)24(31)23(20)30)15-34-12-10-28(11-13-34)14-22(33-38-28)17-4-6-18(7-5-17)26(36)37;1-2-30-20-12-15(11-18(24)21(20)25)14-27-9-7-23(8-10-27)13-19(26-31-23)16-3-5-17(6-4-16)22(28)29/h6-11,16-17,19H,4-5,12-15,18,20H2,1-3H3;5-10,15-16,18H,3-4,11-14,17,19H2,1-2H3,(H,35,36);4-9,14,17H,10-13,15-16H2,1-3H3,(H,35,36);5-8,14,16H,9-13,15H2,1-4H3;4-9,16H,10-15H2,1-3H3,(H,36,37);3-6,11-12H,2,7-10,13-14H2,1H3,(H,28,29)/p+1.

What are the key properties of 4-[8-[[1-tert-butyl-3-(3-chloro-4-fluorophenyl)pyrazol-4-yl]methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl]benzoic acid;4-[8-[[1-tert-butyl-3-(2,3,4-trifluorophenyl)pyrazol-4-yl]methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl]benzoic acid;4-[8-[(3,4-dichloro-5-ethoxyphenyl)methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl]benzoic acid;6-[8-[[3,5-diethoxy-4-(4-fluorophenyl)phenyl]methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl]pyridin-1-ium-3-carboxylic acid;methyl 6-[8-[[1-tert-butyl-3-(2,3,4-trifluorophenyl)pyrazol-4-yl]methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl]pyridine-3-carboxylate;methyl 6-[8-[[3,5-diethoxy-4-(4-fluorophenyl)phenyl]methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl]pyridine-3-carboxylate?

4-[8-[[1-tert-butyl-3-(3-chloro-4-fluorophenyl)pyrazol-4-yl]methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl]benzoic acid;4-[8-[[1-tert-butyl-3-(2,3,4-trifluorophenyl)pyrazol-4-yl]methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl]benzoic acid;4-[8-[(3,4-dichloro-5-ethoxyphenyl)methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl]benzoic acid;6-[8-[[3,5-diethoxy-4-(4-fluorophenyl)phenyl]methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl]pyridin-1-ium-3-carboxylic acid;methyl 6-[8-[[1-tert-butyl-3-(2,3,4-trifluorophenyl)pyrazol-4-yl]methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl]pyridine-3-carboxylate;methyl 6-[8-[[3,5-diethoxy-4-(4-fluorophenyl)phenyl]methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl]pyridine-3-carboxylate has a molecular weight of 3138.75 g/mol, XLogP of 32.44, 39 rotatable bonds, 4 hydrogen bond donors, and 39 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[8-[[1-tert-butyl-3-(3-chloro-4-fluorophenyl)pyrazol-4-yl]methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl]benzoic acid;4-[8-[[1-tert-butyl-3-(2,3,4-trifluorophenyl)pyrazol-4-yl]methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl]benzoic acid;4-[8-[(3,4-dichloro-5-ethoxyphenyl)methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl]benzoic acid;6-[8-[[3,5-diethoxy-4-(4-fluorophenyl)phenyl]methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl]pyridin-1-ium-3-carboxylic acid;methyl 6-[8-[[1-tert-butyl-3-(2,3,4-trifluorophenyl)pyrazol-4-yl]methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl]pyridine-3-carboxylate;methyl 6-[8-[[3,5-diethoxy-4-(4-fluorophenyl)phenyl]methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl]pyridine-3-carboxylate is sourced from PubChem (CID 159625626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 159625626 — identifiers, structure, computed properties (public domain)

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