8-[(1-tert-butyl-5-chloro-6-fluoroindazol-3-yl)methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;7-[[1-tert-butyl-3-(2,3,4-trifluorophenyl)pyrazol-4-yl]methyl]-3-phenyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one;pentakis(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;7-[[3,5-diethoxy-4-(4-fluorophenyl)phenyl]methyl]-3-phenyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one;8-[(6-methoxy-1-methylindazol-3-yl)methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;3-phenyl-8-[(4-phenylmethoxy-1-propan-2-ylindazol-3-yl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one

C170H179ClF6N20O30 — CID 159707067

About 8-[(1-tert-butyl-5-chloro-6-fluoroindazol-3-yl)methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;7-[[1-tert-butyl-3-(2,3,4-trifluorophenyl)pyrazol-4-yl]methyl]-3-phenyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one;pentakis(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;7-[[3,5-diethoxy-4-(4-fluorophenyl)phenyl]methyl]-3-phenyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one;8-[(6-methoxy-1-methylindazol-3-yl)methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;3-phenyl-8-[(4-phenylmethoxy-1-propan-2-ylindazol-3-yl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one

8-[(1-tert-butyl-5-chloro-6-fluoroindazol-3-yl)methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;7-[[1-tert-butyl-3-(2,3,4-trifluorophenyl)pyrazol-4-yl]methyl]-3-phenyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one;pentakis(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;7-[[3,5-diethoxy-4-(4-fluorophenyl)phenyl]methyl]-3-phenyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one;8-[(6-methoxy-1-methylindazol-3-yl)methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;3-phenyl-8-[(4-phenylmethoxy-1-propan-2-ylindazol-3-yl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one (PubChem CID 159707067) has the molecular formula C170H179ClF6N20O30 and a molecular weight of 3131.85 g/mol. Its IUPAC name is 8-[(1-tert-butyl-5-chloro-6-fluoroindazol-3-yl)methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;7-[[1-tert-butyl-3-(2,3,4-trifluorophenyl)pyrazol-4-yl]methyl]-3-phenyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one;pentakis(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;7-[[3,5-diethoxy-4-(4-fluorophenyl)phenyl]methyl]-3-phenyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one;8-[(6-methoxy-1-methylindazol-3-yl)methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;3-phenyl-8-[(4-phenylmethoxy-1-propan-2-ylindazol-3-yl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

• Compound Name: 8-[(1-tert-butyl-5-chloro-6-fluoroindazol-3-yl)methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;7-[[1-tert-butyl-3-(2,3,4-trifluorophenyl)pyrazol-4-yl]methyl]-3-phenyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one;pentakis(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;7-[[3,5-diethoxy-4-(4-fluorophenyl)phenyl]methyl]-3-phenyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one;8-[(6-methoxy-1-methylindazol-3-yl)methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;3-phenyl-8-[(4-phenylmethoxy-1-propan-2-ylindazol-3-yl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
• PubChem CID: 159707067
• Molecular Formula: C170H179ClF6N20O30
• Molecular Weight: 3131.85 g/mol
• Exact Mass: 3129.27
• IUPAC Name: 8-[(1-tert-butyl-5-chloro-6-fluoroindazol-3-yl)methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;7-[[1-tert-butyl-3-(2,3,4-trifluorophenyl)pyrazol-4-yl]methyl]-3-phenyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one;pentakis(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;7-[[3,5-diethoxy-4-(4-fluorophenyl)phenyl]methyl]-3-phenyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one;8-[(6-methoxy-1-methylindazol-3-yl)methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;3-phenyl-8-[(4-phenylmethoxy-1-propan-2-ylindazol-3-yl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
• SMILES: CC(C)(C)n1cc(CN2CCC3(C2)CN(c2ccccc2)C(=O)O3)c(-c2ccc(F)c(F)c2F)n1.CC(C)(C)n1nc(CN2CCC3(CC2)CN(c2ccccc2)C(=O)O3)c2cc(Cl)c(F)cc21.CC(C)n1nc(CN2CCC3(CC2)CN(c2ccccc2)C(=O)O3)c2c(OCc3ccccc3)cccc21.CCOc1cc(CN2CCC3(C2)CN(c2ccccc2)C(=O)O3)cc(OCC)c1-c1ccc(F)cc1.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)nn(C)c2c1.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O
• InChI: InChI=1S/C31H33FN2O6.C31H34N4O3.C29H31FN2O4.C26H27F3N4O2.C25H28ClFN4O2.C23H26N4O3.5CO2/c1-3-38-26-17-21(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)35-27-14-9-15-28(37-21-24-10-5-3-6-11-24)29(27)26(32-35)20-33-18-16-31(17-19-33)22-34(30(36)38-31)25-12-7-4-8-13-25;1-3-34-25-16-21(17-26(35-4-2)27(25)22-10-12-23(30)13-11-22)18-31-15-14-29(19-31)20-32(28(33)36-29)24-8-6-5-7-9-24;1-25(2,3)33-14-17(23(30-33)19-9-10-20(27)22(29)21(19)28)13-31-12-11-26(15-31)16-32(24(34)35-26)18-7-5-4-6-8-18;1-24(2,3)31-22-14-20(27)19(26)13-18(22)21(28-31)15-29-11-9-25(10-12-29)16-30(23(32)33-25)17-7-5-4-6-8-17;1-25-21-14-18(29-2)8-9-19(21)20(24-25)15-26-12-10-23(11-13-26)16-27(22(28)30-23)17-6-4-3-5-7-17;5*2-1-3/h5-12,17-18H,3-4,13-16,19-20H2,1-2H3,(H,35,36);3-15,23H,16-22H2,1-2H3;5-13,16-17H,3-4,14-15,18-20H2,1-2H3;4-10,14H,11-13,15-16H2,1-3H3;4-8,13-14H,9-12,15-16H2,1-3H3;3-9,14H,10-13,15-16H2,1-2H3
• InChIKey: MYIQJFXAGBOZEB-UHFFFAOYSA-N
• XLogP: 29.61
• TPSA: 531.34 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 43
• Rotatable Bonds: 35
• Heavy Atoms: 227
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3131.85
LogP ≤ 5	29.61
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	43

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 8-[(1-tert-butyl-5-chloro-6-fluoroindazol-3-yl)methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;7-[[1-tert-butyl-3-(2,3,4-trifluorophenyl)pyrazol-4-yl]methyl]-3-phenyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one;pentakis(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;7-[[3,5-diethoxy-4-(4-fluorophenyl)phenyl]methyl]-3-phenyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one;8-[(6-methoxy-1-methylindazol-3-yl)methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;3-phenyl-8-[(4-phenylmethoxy-1-propan-2-ylindazol-3-yl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?

The IUPAC name of 8-[(1-tert-butyl-5-chloro-6-fluoroindazol-3-yl)methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;7-[[1-tert-butyl-3-(2,3,4-trifluorophenyl)pyrazol-4-yl]methyl]-3-phenyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one;pentakis(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;7-[[3,5-diethoxy-4-(4-fluorophenyl)phenyl]methyl]-3-phenyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one;8-[(6-methoxy-1-methylindazol-3-yl)methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;3-phenyl-8-[(4-phenylmethoxy-1-propan-2-ylindazol-3-yl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one (CID 159707067) is 8-[(1-tert-butyl-5-chloro-6-fluoroindazol-3-yl)methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;7-[[1-tert-butyl-3-(2,3,4-trifluorophenyl)pyrazol-4-yl]methyl]-3-phenyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one;pentakis(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;7-[[3,5-diethoxy-4-(4-fluorophenyl)phenyl]methyl]-3-phenyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one;8-[(6-methoxy-1-methylindazol-3-yl)methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;3-phenyl-8-[(4-phenylmethoxy-1-propan-2-ylindazol-3-yl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one.

What is the SMILES notation for 8-[(1-tert-butyl-5-chloro-6-fluoroindazol-3-yl)methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;7-[[1-tert-butyl-3-(2,3,4-trifluorophenyl)pyrazol-4-yl]methyl]-3-phenyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one;pentakis(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;7-[[3,5-diethoxy-4-(4-fluorophenyl)phenyl]methyl]-3-phenyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one;8-[(6-methoxy-1-methylindazol-3-yl)methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;3-phenyl-8-[(4-phenylmethoxy-1-propan-2-ylindazol-3-yl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?

The canonical SMILES for 8-[(1-tert-butyl-5-chloro-6-fluoroindazol-3-yl)methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;7-[[1-tert-butyl-3-(2,3,4-trifluorophenyl)pyrazol-4-yl]methyl]-3-phenyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one;pentakis(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;7-[[3,5-diethoxy-4-(4-fluorophenyl)phenyl]methyl]-3-phenyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one;8-[(6-methoxy-1-methylindazol-3-yl)methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;3-phenyl-8-[(4-phenylmethoxy-1-propan-2-ylindazol-3-yl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one is CC(C)(C)n1cc(CN2CCC3(C2)CN(c2ccccc2)C(=O)O3)c(-c2ccc(F)c(F)c2F)n1.CC(C)(C)n1nc(CN2CCC3(CC2)CN(c2ccccc2)C(=O)O3)c2cc(Cl)c(F)cc21.CC(C)n1nc(CN2CCC3(CC2)CN(c2ccccc2)C(=O)O3)c2c(OCc3ccccc3)cccc21.CCOc1cc(CN2CCC3(C2)CN(c2ccccc2)C(=O)O3)cc(OCC)c1-c1ccc(F)cc1.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)nn(C)c2c1.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O.

What is the InChIKey of 8-[(1-tert-butyl-5-chloro-6-fluoroindazol-3-yl)methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;7-[[1-tert-butyl-3-(2,3,4-trifluorophenyl)pyrazol-4-yl]methyl]-3-phenyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one;pentakis(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;7-[[3,5-diethoxy-4-(4-fluorophenyl)phenyl]methyl]-3-phenyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one;8-[(6-methoxy-1-methylindazol-3-yl)methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;3-phenyl-8-[(4-phenylmethoxy-1-propan-2-ylindazol-3-yl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?

The InChIKey is MYIQJFXAGBOZEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H33FN2O6.C31H34N4O3.C29H31FN2O4.C26H27F3N4O2.C25H28ClFN4O2.C23H26N4O3.5CO2/c1-3-38-26-17-21(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)35-27-14-9-15-28(37-21-24-10-5-3-6-11-24)29(27)26(32-35)20-33-18-16-31(17-19-33)22-34(30(36)38-31)25-12-7-4-8-13-25;1-3-34-25-16-21(17-26(35-4-2)27(25)22-10-12-23(30)13-11-22)18-31-15-14-29(19-31)20-32(28(33)36-29)24-8-6-5-7-9-24;1-25(2,3)33-14-17(23(30-33)19-9-10-20(27)22(29)21(19)28)13-31-12-11-26(15-31)16-32(24(34)35-26)18-7-5-4-6-8-18;1-24(2,3)31-22-14-20(27)19(26)13-18(22)21(28-31)15-29-11-9-25(10-12-29)16-30(23(32)33-25)17-7-5-4-6-8-17;1-25-21-14-18(29-2)8-9-19(21)20(24-25)15-26-12-10-23(11-13-26)16-27(22(28)30-23)17-6-4-3-5-7-17;5*2-1-3/h5-12,17-18H,3-4,13-16,19-20H2,1-2H3,(H,35,36);3-15,23H,16-22H2,1-2H3;5-13,16-17H,3-4,14-15,18-20H2,1-2H3;4-10,14H,11-13,15-16H2,1-3H3;4-8,13-14H,9-12,15-16H2,1-3H3;3-9,14H,10-13,15-16H2,1-2H3;;;;;.

What are the key properties of 8-[(1-tert-butyl-5-chloro-6-fluoroindazol-3-yl)methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;7-[[1-tert-butyl-3-(2,3,4-trifluorophenyl)pyrazol-4-yl]methyl]-3-phenyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one;pentakis(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;7-[[3,5-diethoxy-4-(4-fluorophenyl)phenyl]methyl]-3-phenyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one;8-[(6-methoxy-1-methylindazol-3-yl)methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;3-phenyl-8-[(4-phenylmethoxy-1-propan-2-ylindazol-3-yl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?

8-[(1-tert-butyl-5-chloro-6-fluoroindazol-3-yl)methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;7-[[1-tert-butyl-3-(2,3,4-trifluorophenyl)pyrazol-4-yl]methyl]-3-phenyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one;pentakis(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;7-[[3,5-diethoxy-4-(4-fluorophenyl)phenyl]methyl]-3-phenyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one;8-[(6-methoxy-1-methylindazol-3-yl)methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;3-phenyl-8-[(4-phenylmethoxy-1-propan-2-ylindazol-3-yl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one has a molecular weight of 3131.85 g/mol, XLogP of 29.61, 35 rotatable bonds, 1 hydrogen bond donors, and 43 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[(1-tert-butyl-5-chloro-6-fluoroindazol-3-yl)methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;7-[[1-tert-butyl-3-(2,3,4-trifluorophenyl)pyrazol-4-yl]methyl]-3-phenyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one;pentakis(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;7-[[3,5-diethoxy-4-(4-fluorophenyl)phenyl]methyl]-3-phenyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one;8-[(6-methoxy-1-methylindazol-3-yl)methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;3-phenyl-8-[(4-phenylmethoxy-1-propan-2-ylindazol-3-yl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 159707067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).