4-[8-[[3-tert-butyl-4-(6-fluoro-3-pyridinyl)phenyl]methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl]benzoic acid;4-[8-[(8-chloro-4,4-dimethyl-2,3-dihydrochromen-6-yl)methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl]benzoic acid;4-[8-[(4-cyclopropyl-6,6-dimethylspiro[5,7-dihydronaphthalene-8,1'-cyclopropane]-2-yl)methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl]benzoic acid;4-[8-[[4-(6-fluoro-3-pyridinyl)-1-propan-2-ylindol-3-yl]methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl]benzoic acid;4-[8-[[2-(6-fluoro-3-pyridinyl)-5-(trifluoromethoxy)phenyl]methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl]benzoic acid

C146H153ClF6N14O17 — CID 159398064

About 4-[8-[[3-tert-butyl-4-(6-fluoro-3-pyridinyl)phenyl]methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl]benzoic acid;4-[8-[(8-chloro-4,4-dimethyl-2,3-dihydrochromen-6-yl)methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl]benzoic acid;4-[8-[(4-cyclopropyl-6,6-dimethylspiro[5,7-dihydronaphthalene-8,1'-cyclopropane]-2-yl)methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl]benzoic acid;4-[8-[[4-(6-fluoro-3-pyridinyl)-1-propan-2-ylindol-3-yl]methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl]benzoic acid;4-[8-[[2-(6-fluoro-3-pyridinyl)-5-(trifluoromethoxy)phenyl]methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl]benzoic acid

4-[8-[[3-tert-butyl-4-(6-fluoro-3-pyridinyl)phenyl]methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl]benzoic acid;4-[8-[(8-chloro-4,4-dimethyl-2,3-dihydrochromen-6-yl)methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl]benzoic acid;4-[8-[(4-cyclopropyl-6,6-dimethylspiro[5,7-dihydronaphthalene-8,1'-cyclopropane]-2-yl)methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl]benzoic acid;4-[8-[[4-(6-fluoro-3-pyridinyl)-1-propan-2-ylindol-3-yl]methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl]benzoic acid;4-[8-[[2-(6-fluoro-3-pyridinyl)-5-(trifluoromethoxy)phenyl]methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl]benzoic acid (PubChem CID 159398064) has the molecular formula C146H153ClF6N14O17 and a molecular weight of 2525.35 g/mol. Its IUPAC name is 4-[8-[[3-tert-butyl-4-(6-fluoro-3-pyridinyl)phenyl]methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl]benzoic acid;4-[8-[(8-chloro-4,4-dimethyl-2,3-dihydrochromen-6-yl)methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl]benzoic acid;4-[8-[(4-cyclopropyl-6,6-dimethylspiro[5,7-dihydronaphthalene-8,1'-cyclopropane]-2-yl)methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl]benzoic acid;4-[8-[[4-(6-fluoro-3-pyridinyl)-1-propan-2-ylindol-3-yl]methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl]benzoic acid;4-[8-[[2-(6-fluoro-3-pyridinyl)-5-(trifluoromethoxy)phenyl]methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl]benzoic acid.

Molecular Properties

• Compound Name: 4-[8-[[3-tert-butyl-4-(6-fluoro-3-pyridinyl)phenyl]methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl]benzoic acid;4-[8-[(8-chloro-4,4-dimethyl-2,3-dihydrochromen-6-yl)methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl]benzoic acid;4-[8-[(4-cyclopropyl-6,6-dimethylspiro[5,7-dihydronaphthalene-8,1'-cyclopropane]-2-yl)methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl]benzoic acid;4-[8-[[4-(6-fluoro-3-pyridinyl)-1-propan-2-ylindol-3-yl]methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl]benzoic acid;4-[8-[[2-(6-fluoro-3-pyridinyl)-5-(trifluoromethoxy)phenyl]methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl]benzoic acid
• PubChem CID: 159398064
• Molecular Formula: C146H153ClF6N14O17
• Molecular Weight: 2525.35 g/mol
• Exact Mass: 2523.11
• IUPAC Name: 4-[8-[[3-tert-butyl-4-(6-fluoro-3-pyridinyl)phenyl]methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl]benzoic acid;4-[8-[(8-chloro-4,4-dimethyl-2,3-dihydrochromen-6-yl)methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl]benzoic acid;4-[8-[(4-cyclopropyl-6,6-dimethylspiro[5,7-dihydronaphthalene-8,1'-cyclopropane]-2-yl)methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl]benzoic acid;4-[8-[[4-(6-fluoro-3-pyridinyl)-1-propan-2-ylindol-3-yl]methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl]benzoic acid;4-[8-[[2-(6-fluoro-3-pyridinyl)-5-(trifluoromethoxy)phenyl]methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl]benzoic acid
• SMILES: CC(C)(C)c1cc(CN2CCC3(CC2)CC(c2ccc(C(=O)O)cc2)=NO3)ccc1-c1ccc(F)nc1.CC(C)n1cc(CN2CCC3(CC2)CC(c2ccc(C(=O)O)cc2)=NO3)c2c(-c3ccc(F)nc3)cccc21.CC1(C)CCOc2c(Cl)cc(CN3CCC4(CC3)CC(c3ccc(C(=O)O)cc3)=NO4)cc21.CC1(C)Cc2c(C3CC3)cc(CN3CCC4(CC3)CC(c3ccc(C(=O)O)cc3)=NO4)cc2C2(CC2)C1.O=C(O)c1ccc(C2=NOC3(CCN(Cc4cc(OC(F)(F)F)ccc4-c4ccc(F)nc4)CC3)C2)cc1
• InChI: InChI=1S/C32H38N2O3.C31H31FN4O3.C30H32FN3O3.C27H23F4N3O4.C26H29ClN2O4/c1-30(2)17-26-25(22-3-4-22)15-21(16-27(26)31(20-30)9-10-31)19-34-13-11-32(12-14-34)18-28(33-37-32)23-5-7-24(8-6-23)29(35)36;1-20(2)36-19-24(29-25(4-3-5-27(29)36)23-10-11-28(32)33-17-23)18-35-14-12-31(13-15-35)16-26(34-39-31)21-6-8-22(9-7-21)30(37)38;1-29(2,3)25-16-20(4-10-24(25)23-9-11-27(31)32-18-23)19-34-14-12-30(13-15-34)17-26(33-37-30)21-5-7-22(8-6-21)28(35)36;28-24-8-5-19(15-32-24)22-7-6-21(37-27(29,30)31)13-20(22)16-34-11-9-26(10-12-34)14-23(33-38-26)17-1-3-18(4-2-17)25(35)36;1-25(2)9-12-32-23-20(25)13-17(14-21(23)27)16-29-10-7-26(8-11-29)15-22(28-33-26)18-3-5-19(6-4-18)24(30)31/h5-8,15-16,22H,3-4,9-14,17-20H2,1-2H3,(H,35,36);3-11,17,19-20H,12-16,18H2,1-2H3,(H,37,38);4-11,16,18H,12-15,17,19H2,1-3H3,(H,35,36);1-8,13,15H,9-12,14,16H2,(H,35,36);3-6,13-14H,7-12,15-16H2,1-2H3,(H,30,31)
• InChIKey: LMZGTVNXQHENJC-UHFFFAOYSA-N
• XLogP: 29.65
• TPSA: 372.71 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 26
• Rotatable Bonds: 26
• Heavy Atoms: 184
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2525.35
LogP ≤ 5	29.65
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[8-[[3-tert-butyl-4-(6-fluoro-3-pyridinyl)phenyl]methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl]benzoic acid;4-[8-[(8-chloro-4,4-dimethyl-2,3-dihydrochromen-6-yl)methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl]benzoic acid;4-[8-[(4-cyclopropyl-6,6-dimethylspiro[5,7-dihydronaphthalene-8,1'-cyclopropane]-2-yl)methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl]benzoic acid;4-[8-[[4-(6-fluoro-3-pyridinyl)-1-propan-2-ylindol-3-yl]methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl]benzoic acid;4-[8-[[2-(6-fluoro-3-pyridinyl)-5-(trifluoromethoxy)phenyl]methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl]benzoic acid?

The IUPAC name of 4-[8-[[3-tert-butyl-4-(6-fluoro-3-pyridinyl)phenyl]methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl]benzoic acid;4-[8-[(8-chloro-4,4-dimethyl-2,3-dihydrochromen-6-yl)methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl]benzoic acid;4-[8-[(4-cyclopropyl-6,6-dimethylspiro[5,7-dihydronaphthalene-8,1'-cyclopropane]-2-yl)methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl]benzoic acid;4-[8-[[4-(6-fluoro-3-pyridinyl)-1-propan-2-ylindol-3-yl]methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl]benzoic acid;4-[8-[[2-(6-fluoro-3-pyridinyl)-5-(trifluoromethoxy)phenyl]methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl]benzoic acid (CID 159398064) is 4-[8-[[3-tert-butyl-4-(6-fluoro-3-pyridinyl)phenyl]methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl]benzoic acid;4-[8-[(8-chloro-4,4-dimethyl-2,3-dihydrochromen-6-yl)methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl]benzoic acid;4-[8-[(4-cyclopropyl-6,6-dimethylspiro[5,7-dihydronaphthalene-8,1'-cyclopropane]-2-yl)methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl]benzoic acid;4-[8-[[4-(6-fluoro-3-pyridinyl)-1-propan-2-ylindol-3-yl]methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl]benzoic acid;4-[8-[[2-(6-fluoro-3-pyridinyl)-5-(trifluoromethoxy)phenyl]methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl]benzoic acid.

What is the SMILES notation for 4-[8-[[3-tert-butyl-4-(6-fluoro-3-pyridinyl)phenyl]methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl]benzoic acid;4-[8-[(8-chloro-4,4-dimethyl-2,3-dihydrochromen-6-yl)methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl]benzoic acid;4-[8-[(4-cyclopropyl-6,6-dimethylspiro[5,7-dihydronaphthalene-8,1'-cyclopropane]-2-yl)methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl]benzoic acid;4-[8-[[4-(6-fluoro-3-pyridinyl)-1-propan-2-ylindol-3-yl]methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl]benzoic acid;4-[8-[[2-(6-fluoro-3-pyridinyl)-5-(trifluoromethoxy)phenyl]methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl]benzoic acid?

The canonical SMILES for 4-[8-[[3-tert-butyl-4-(6-fluoro-3-pyridinyl)phenyl]methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl]benzoic acid;4-[8-[(8-chloro-4,4-dimethyl-2,3-dihydrochromen-6-yl)methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl]benzoic acid;4-[8-[(4-cyclopropyl-6,6-dimethylspiro[5,7-dihydronaphthalene-8,1'-cyclopropane]-2-yl)methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl]benzoic acid;4-[8-[[4-(6-fluoro-3-pyridinyl)-1-propan-2-ylindol-3-yl]methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl]benzoic acid;4-[8-[[2-(6-fluoro-3-pyridinyl)-5-(trifluoromethoxy)phenyl]methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl]benzoic acid is CC(C)(C)c1cc(CN2CCC3(CC2)CC(c2ccc(C(=O)O)cc2)=NO3)ccc1-c1ccc(F)nc1.CC(C)n1cc(CN2CCC3(CC2)CC(c2ccc(C(=O)O)cc2)=NO3)c2c(-c3ccc(F)nc3)cccc21.CC1(C)CCOc2c(Cl)cc(CN3CCC4(CC3)CC(c3ccc(C(=O)O)cc3)=NO4)cc21.CC1(C)Cc2c(C3CC3)cc(CN3CCC4(CC3)CC(c3ccc(C(=O)O)cc3)=NO4)cc2C2(CC2)C1.O=C(O)c1ccc(C2=NOC3(CCN(Cc4cc(OC(F)(F)F)ccc4-c4ccc(F)nc4)CC3)C2)cc1.

What is the InChIKey of 4-[8-[[3-tert-butyl-4-(6-fluoro-3-pyridinyl)phenyl]methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl]benzoic acid;4-[8-[(8-chloro-4,4-dimethyl-2,3-dihydrochromen-6-yl)methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl]benzoic acid;4-[8-[(4-cyclopropyl-6,6-dimethylspiro[5,7-dihydronaphthalene-8,1'-cyclopropane]-2-yl)methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl]benzoic acid;4-[8-[[4-(6-fluoro-3-pyridinyl)-1-propan-2-ylindol-3-yl]methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl]benzoic acid;4-[8-[[2-(6-fluoro-3-pyridinyl)-5-(trifluoromethoxy)phenyl]methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl]benzoic acid?

The InChIKey is LMZGTVNXQHENJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H38N2O3.C31H31FN4O3.C30H32FN3O3.C27H23F4N3O4.C26H29ClN2O4/c1-30(2)17-26-25(22-3-4-22)15-21(16-27(26)31(20-30)9-10-31)19-34-13-11-32(12-14-34)18-28(33-37-32)23-5-7-24(8-6-23)29(35)36;1-20(2)36-19-24(29-25(4-3-5-27(29)36)23-10-11-28(32)33-17-23)18-35-14-12-31(13-15-35)16-26(34-39-31)21-6-8-22(9-7-21)30(37)38;1-29(2,3)25-16-20(4-10-24(25)23-9-11-27(31)32-18-23)19-34-14-12-30(13-15-34)17-26(33-37-30)21-5-7-22(8-6-21)28(35)36;28-24-8-5-19(15-32-24)22-7-6-21(37-27(29,30)31)13-20(22)16-34-11-9-26(10-12-34)14-23(33-38-26)17-1-3-18(4-2-17)25(35)36;1-25(2)9-12-32-23-20(25)13-17(14-21(23)27)16-29-10-7-26(8-11-29)15-22(28-33-26)18-3-5-19(6-4-18)24(30)31/h5-8,15-16,22H,3-4,9-14,17-20H2,1-2H3,(H,35,36);3-11,17,19-20H,12-16,18H2,1-2H3,(H,37,38);4-11,16,18H,12-15,17,19H2,1-3H3,(H,35,36);1-8,13,15H,9-12,14,16H2,(H,35,36);3-6,13-14H,7-12,15-16H2,1-2H3,(H,30,31).

What are the key properties of 4-[8-[[3-tert-butyl-4-(6-fluoro-3-pyridinyl)phenyl]methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl]benzoic acid;4-[8-[(8-chloro-4,4-dimethyl-2,3-dihydrochromen-6-yl)methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl]benzoic acid;4-[8-[(4-cyclopropyl-6,6-dimethylspiro[5,7-dihydronaphthalene-8,1'-cyclopropane]-2-yl)methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl]benzoic acid;4-[8-[[4-(6-fluoro-3-pyridinyl)-1-propan-2-ylindol-3-yl]methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl]benzoic acid;4-[8-[[2-(6-fluoro-3-pyridinyl)-5-(trifluoromethoxy)phenyl]methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl]benzoic acid?

4-[8-[[3-tert-butyl-4-(6-fluoro-3-pyridinyl)phenyl]methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl]benzoic acid;4-[8-[(8-chloro-4,4-dimethyl-2,3-dihydrochromen-6-yl)methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl]benzoic acid;4-[8-[(4-cyclopropyl-6,6-dimethylspiro[5,7-dihydronaphthalene-8,1'-cyclopropane]-2-yl)methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl]benzoic acid;4-[8-[[4-(6-fluoro-3-pyridinyl)-1-propan-2-ylindol-3-yl]methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl]benzoic acid;4-[8-[[2-(6-fluoro-3-pyridinyl)-5-(trifluoromethoxy)phenyl]methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl]benzoic acid has a molecular weight of 2525.35 g/mol, XLogP of 29.65, 26 rotatable bonds, 5 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[8-[[3-tert-butyl-4-(6-fluoro-3-pyridinyl)phenyl]methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl]benzoic acid;4-[8-[(8-chloro-4,4-dimethyl-2,3-dihydrochromen-6-yl)methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl]benzoic acid;4-[8-[(4-cyclopropyl-6,6-dimethylspiro[5,7-dihydronaphthalene-8,1'-cyclopropane]-2-yl)methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl]benzoic acid;4-[8-[[4-(6-fluoro-3-pyridinyl)-1-propan-2-ylindol-3-yl]methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl]benzoic acid;4-[8-[[2-(6-fluoro-3-pyridinyl)-5-(trifluoromethoxy)phenyl]methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl]benzoic acid is sourced from PubChem (CID 159398064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).