8-(1,3-benzodioxol-5-ylmethyl)-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;4-[8-[[1-butyl-5-chloro-3-[(2,4,5-trifluorophenyl)methyl]pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;6-[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]pyridine-3-carboxylic acid;tris(carbon dioxide);4-[8-[[5-chloro-1-propan-2-yl-3-(2,3,5-trifluorophenyl)pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;8-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;8-[(4,8-dimethyl-3,4-dihydro-2H-chromen-6-yl)methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one

C156H164Cl2F9N19O28 — CID 158548642

IUPAC8-(1,3-benzodioxol-5-ylmethyl)-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;4-[8-[[1-butyl-5-chloro-3-[(2,4,5-trifluorophenyl)methyl]pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;6-[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]pyridine-3-carboxylic acid;tris(carbon dioxide);4-[8-[[5-chloro-1-propan-2-yl-3-(2,3,5-trifluorophenyl)pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;8-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;8-[(4,8-dimethyl-3,4-dihydro-2H-chromen-6-yl)methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCC(C)(C)n1cc(CN2CCC3(CC2)CN(c2ccc(C(=O)O)cn2)C(=O)O3)c(-c2ccc(F)c(F)c2F)n1.CC(C)n1nc(-c2cc(F)cc(F)c2F)c(CN2CCC3(CC2)CN(c2ccc(C(=O)O)cc2)C(=O)O3)c1Cl.CC1(C)Cc2cc(CN3CCC4(CC3)CN(c3ccccc3)C(=O)O4)ccc2O1.CCCCn1nc(Cc2cc(F)c(F)cc2F)c(CN2CCC3(CC2)CN(c2ccc(C(=O)O)cc2)C(=O)O3)c1Cl.Cc1cc(CN2CCC3(CC2)CN(c2ccccc2)C(=O)O3)cc2c1OCCC2C.O=C1OC2(CCN(Cc3ccc4c(c3)OCO4)CC2)CN1c1ccccc1.O=C=O.O=C=O.O=C=O
InChIInChI=1S/C29H30ClF3N4O4.C27H26ClF3N4O4.C27H28F3N5O4.C25H30N2O3.C24H28N2O3.C21H22N2O4.3CO2/c1-2-3-10-37-26(30)21(25(34-37)14-19-13-23(32)24(33)15-22(19)31)16-35-11-8-29(9-12-35)17-36(28(40)41-29)20-6-4-18(5-7-20)27(38)39;1-15(2)35-24(28)20(23(32-35)19-11-17(29)12-21(30)22(19)31)13-33-9-7-27(8-10-33)14-34(26(38)39-27)18-5-3-16(4-6-18)25(36)37;1-26(2,3)35-14-17(23(32-35)18-5-6-19(28)22(30)21(18)29)13-33-10-8-27(9-11-33)15-34(25(38)39-27)20-7-4-16(12-31-20)24(36)37;1-18-8-13-29-23-19(2)14-20(15-22(18)23)16-26-11-9-25(10-12-26)17-27(24(28)30-25)21-6-4-3-5-7-21;1-23(2)15-19-14-18(8-9-21(19)28-23)16-25-12-10-24(11-13-25)17-26(22(27)29-24)20-6-4-3-5-7-20;24-20-23(17-4-2-1-3-5-17)14-21(27-20)8-10-22(11-9-21)13-16-6-7-18-19(12-16)26-15-25-18;3*2-1-3/h4-7,13,15H,2-3,8-12,14,16-17H2,1H3,(H,38,39);3-6,11-12,15H,7-10,13-14H2,1-2H3,(H,36,37);4-7,12,14H,8-11,13,15H2,1-3H3,(H,36,37);3-7,14-15,18H,8-13,16-17H2,1-2H3;3-9,14H,10-13,15-17H2,1-2H3;1-7,12H,8-11,13-15H2;;;
InChIKeyHPLCCKMIAPSPRM-UHFFFAOYSA-N
MW2995.02 g/mol
LogP27.65
Rot. Bonds29

About 8-(1,3-benzodioxol-5-ylmethyl)-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;4-[8-[[1-butyl-5-chloro-3-[(2,4,5-trifluorophenyl)methyl]pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;6-[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]pyridine-3-carboxylic acid;tris(carbon dioxide);4-[8-[[5-chloro-1-propan-2-yl-3-(2,3,5-trifluorophenyl)pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;8-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;8-[(4,8-dimethyl-3,4-dihydro-2H-chromen-6-yl)methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one

8-(1,3-benzodioxol-5-ylmethyl)-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;4-[8-[[1-butyl-5-chloro-3-[(2,4,5-trifluorophenyl)methyl]pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;6-[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]pyridine-3-carboxylic acid;tris(carbon dioxide);4-[8-[[5-chloro-1-propan-2-yl-3-(2,3,5-trifluorophenyl)pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;8-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;8-[(4,8-dimethyl-3,4-dihydro-2H-chromen-6-yl)methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one (PubChem CID 158548642) has the molecular formula C156H164Cl2F9N19O28 and a molecular weight of 2995.02 g/mol. Its IUPAC name is 8-(1,3-benzodioxol-5-ylmethyl)-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;4-[8-[[1-butyl-5-chloro-3-[(2,4,5-trifluorophenyl)methyl]pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;6-[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]pyridine-3-carboxylic acid;tris(carbon dioxide);4-[8-[[5-chloro-1-propan-2-yl-3-(2,3,5-trifluorophenyl)pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;8-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;8-[(4,8-dimethyl-3,4-dihydro-2H-chromen-6-yl)methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name8-(1,3-benzodioxol-5-ylmethyl)-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;4-[8-[[1-butyl-5-chloro-3-[(2,4,5-trifluorophenyl)methyl]pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;6-[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]pyridine-3-carboxylic acid;tris(carbon dioxide);4-[8-[[5-chloro-1-propan-2-yl-3-(2,3,5-trifluorophenyl)pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;8-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;8-[(4,8-dimethyl-3,4-dihydro-2H-chromen-6-yl)methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
PubChem CID158548642
Molecular FormulaC156H164Cl2F9N19O28
Molecular Weight2995.02 g/mol
Exact Mass2992.12
IUPAC Name8-(1,3-benzodioxol-5-ylmethyl)-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;4-[8-[[1-butyl-5-chloro-3-[(2,4,5-trifluorophenyl)methyl]pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;6-[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]pyridine-3-carboxylic acid;tris(carbon dioxide);4-[8-[[5-chloro-1-propan-2-yl-3-(2,3,5-trifluorophenyl)pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;8-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;8-[(4,8-dimethyl-3,4-dihydro-2H-chromen-6-yl)methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCC(C)(C)n1cc(CN2CCC3(CC2)CN(c2ccc(C(=O)O)cn2)C(=O)O3)c(-c2ccc(F)c(F)c2F)n1.CC(C)n1nc(-c2cc(F)cc(F)c2F)c(CN2CCC3(CC2)CN(c2ccc(C(=O)O)cc2)C(=O)O3)c1Cl.CC1(C)Cc2cc(CN3CCC4(CC3)CN(c3ccccc3)C(=O)O4)ccc2O1.CCCCn1nc(Cc2cc(F)c(F)cc2F)c(CN2CCC3(CC2)CN(c2ccc(C(=O)O)cc2)C(=O)O3)c1Cl.Cc1cc(CN2CCC3(CC2)CN(c2ccccc2)C(=O)O3)cc2c1OCCC2C.O=C1OC2(CCN(Cc3ccc4c(c3)OCO4)CC2)CN1c1ccccc1.O=C=O.O=C=O.O=C=O
InChIInChI=1S/C29H30ClF3N4O4.C27H26ClF3N4O4.C27H28F3N5O4.C25H30N2O3.C24H28N2O3.C21H22N2O4.3CO2/c1-2-3-10-37-26(30)21(25(34-37)14-19-13-23(32)24(33)15-22(19)31)16-35-11-8-29(9-12-35)17-36(28(40)41-29)20-6-4-18(5-7-20)27(38)39;1-15(2)35-24(28)20(23(32-35)19-11-17(29)12-21(30)22(19)31)13-33-9-7-27(8-10-33)14-34(26(38)39-27)18-5-3-16(4-6-18)25(36)37;1-26(2,3)35-14-17(23(32-35)18-5-6-19(28)22(30)21(18)29)13-33-10-8-27(9-11-33)15-34(25(38)39-27)20-7-4-16(12-31-20)24(36)37;1-18-8-13-29-23-19(2)14-20(15-22(18)23)16-26-11-9-25(10-12-26)17-27(24(28)30-25)21-6-4-3-5-7-21;1-23(2)15-19-14-18(8-9-21(19)28-23)16-25-12-10-24(11-13-25)17-26(22(27)29-24)20-6-4-3-5-7-20;24-20-23(17-4-2-1-3-5-17)14-21(27-20)8-10-22(11-9-21)13-16-6-7-18-19(12-16)26-15-25-18;3*2-1-3/h4-7,13,15H,2-3,8-12,14,16-17H2,1H3,(H,38,39);3-6,11-12,15H,7-10,13-14H2,1-2H3,(H,36,37);4-7,12,14H,8-11,13,15H2,1-3H3,(H,36,37);3-7,14-15,18H,8-13,16-17H2,1-2H3;3-9,14H,10-13,15-17H2,1-2H3;1-7,12H,8-11,13-15H2;;;
InChIKeyHPLCCKMIAPSPRM-UHFFFAOYSA-N
XLogP27.65
TPSA514.27 Ų
H-Bond Donors3
H-Bond Acceptors38
Rotatable Bonds29
Heavy Atoms214
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002995.02
LogP ≤ 527.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1038

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 8-(1,3-benzodioxol-5-ylmethyl)-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;4-[8-[[1-butyl-5-chloro-3-[(2,4,5-trifluorophenyl)methyl]pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;6-[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]pyridine-3-carboxylic acid;tris(carbon dioxide);4-[8-[[5-chloro-1-propan-2-yl-3-(2,3,5-trifluorophenyl)pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;8-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;8-[(4,8-dimethyl-3,4-dihydro-2H-chromen-6-yl)methyl]-3-phenyl-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-(1,3-benzodioxol-5-ylmethyl)-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;4-[8-[[1-butyl-5-chloro-3-[(2,4,5-trifluorophenyl)methyl]pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;6-[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]pyridine-3-carboxylic acid;tris(carbon dioxide);4-[8-[[5-chloro-1-propan-2-yl-3-(2,3,5-trifluorophenyl)pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;8-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;8-[(4,8-dimethyl-3,4-dihydro-2H-chromen-6-yl)methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 8-(1,3-benzodioxol-5-ylmethyl)-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;4-[8-[[1-butyl-5-chloro-3-[(2,4,5-trifluorophenyl)methyl]pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;6-[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]pyridine-3-carboxylic acid;tris(carbon dioxide);4-[8-[[5-chloro-1-propan-2-yl-3-(2,3,5-trifluorophenyl)pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;8-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;8-[(4,8-dimethyl-3,4-dihydro-2H-chromen-6-yl)methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one (CID 158548642) is 8-(1,3-benzodioxol-5-ylmethyl)-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;4-[8-[[1-butyl-5-chloro-3-[(2,4,5-trifluorophenyl)methyl]pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;6-[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]pyridine-3-carboxylic acid;tris(carbon dioxide);4-[8-[[5-chloro-1-propan-2-yl-3-(2,3,5-trifluorophenyl)pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;8-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;8-[(4,8-dimethyl-3,4-dihydro-2H-chromen-6-yl)methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 8-(1,3-benzodioxol-5-ylmethyl)-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;4-[8-[[1-butyl-5-chloro-3-[(2,4,5-trifluorophenyl)methyl]pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;6-[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]pyridine-3-carboxylic acid;tris(carbon dioxide);4-[8-[[5-chloro-1-propan-2-yl-3-(2,3,5-trifluorophenyl)pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;8-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;8-[(4,8-dimethyl-3,4-dihydro-2H-chromen-6-yl)methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 8-(1,3-benzodioxol-5-ylmethyl)-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;4-[8-[[1-butyl-5-chloro-3-[(2,4,5-trifluorophenyl)methyl]pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;6-[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]pyridine-3-carboxylic acid;tris(carbon dioxide);4-[8-[[5-chloro-1-propan-2-yl-3-(2,3,5-trifluorophenyl)pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;8-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;8-[(4,8-dimethyl-3,4-dihydro-2H-chromen-6-yl)methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one is CC(C)(C)n1cc(CN2CCC3(CC2)CN(c2ccc(C(=O)O)cn2)C(=O)O3)c(-c2ccc(F)c(F)c2F)n1.CC(C)n1nc(-c2cc(F)cc(F)c2F)c(CN2CCC3(CC2)CN(c2ccc(C(=O)O)cc2)C(=O)O3)c1Cl.CC1(C)Cc2cc(CN3CCC4(CC3)CN(c3ccccc3)C(=O)O4)ccc2O1.CCCCn1nc(Cc2cc(F)c(F)cc2F)c(CN2CCC3(CC2)CN(c2ccc(C(=O)O)cc2)C(=O)O3)c1Cl.Cc1cc(CN2CCC3(CC2)CN(c2ccccc2)C(=O)O3)cc2c1OCCC2C.O=C1OC2(CCN(Cc3ccc4c(c3)OCO4)CC2)CN1c1ccccc1.O=C=O.O=C=O.O=C=O.
What is the InChIKey of 8-(1,3-benzodioxol-5-ylmethyl)-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;4-[8-[[1-butyl-5-chloro-3-[(2,4,5-trifluorophenyl)methyl]pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;6-[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]pyridine-3-carboxylic acid;tris(carbon dioxide);4-[8-[[5-chloro-1-propan-2-yl-3-(2,3,5-trifluorophenyl)pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;8-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;8-[(4,8-dimethyl-3,4-dihydro-2H-chromen-6-yl)methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The InChIKey is HPLCCKMIAPSPRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30ClF3N4O4.C27H26ClF3N4O4.C27H28F3N5O4.C25H30N2O3.C24H28N2O3.C21H22N2O4.3CO2/c1-2-3-10-37-26(30)21(25(34-37)14-19-13-23(32)24(33)15-22(19)31)16-35-11-8-29(9-12-35)17-36(28(40)41-29)20-6-4-18(5-7-20)27(38)39;1-15(2)35-24(28)20(23(32-35)19-11-17(29)12-21(30)22(19)31)13-33-9-7-27(8-10-33)14-34(26(38)39-27)18-5-3-16(4-6-18)25(36)37;1-26(2,3)35-14-17(23(32-35)18-5-6-19(28)22(30)21(18)29)13-33-10-8-27(9-11-33)15-34(25(38)39-27)20-7-4-16(12-31-20)24(36)37;1-18-8-13-29-23-19(2)14-20(15-22(18)23)16-26-11-9-25(10-12-26)17-27(24(28)30-25)21-6-4-3-5-7-21;1-23(2)15-19-14-18(8-9-21(19)28-23)16-25-12-10-24(11-13-25)17-26(22(27)29-24)20-6-4-3-5-7-20;24-20-23(17-4-2-1-3-5-17)14-21(27-20)8-10-22(11-9-21)13-16-6-7-18-19(12-16)26-15-25-18;3*2-1-3/h4-7,13,15H,2-3,8-12,14,16-17H2,1H3,(H,38,39);3-6,11-12,15H,7-10,13-14H2,1-2H3,(H,36,37);4-7,12,14H,8-11,13,15H2,1-3H3,(H,36,37);3-7,14-15,18H,8-13,16-17H2,1-2H3;3-9,14H,10-13,15-17H2,1-2H3;1-7,12H,8-11,13-15H2;;;.
What are the key properties of 8-(1,3-benzodioxol-5-ylmethyl)-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;4-[8-[[1-butyl-5-chloro-3-[(2,4,5-trifluorophenyl)methyl]pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;6-[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]pyridine-3-carboxylic acid;tris(carbon dioxide);4-[8-[[5-chloro-1-propan-2-yl-3-(2,3,5-trifluorophenyl)pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;8-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;8-[(4,8-dimethyl-3,4-dihydro-2H-chromen-6-yl)methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
8-(1,3-benzodioxol-5-ylmethyl)-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;4-[8-[[1-butyl-5-chloro-3-[(2,4,5-trifluorophenyl)methyl]pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;6-[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]pyridine-3-carboxylic acid;tris(carbon dioxide);4-[8-[[5-chloro-1-propan-2-yl-3-(2,3,5-trifluorophenyl)pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;8-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;8-[(4,8-dimethyl-3,4-dihydro-2H-chromen-6-yl)methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one has a molecular weight of 2995.02 g/mol, XLogP of 27.65, 29 rotatable bonds, 3 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(1,3-benzodioxol-5-ylmethyl)-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;4-[8-[[1-butyl-5-chloro-3-[(2,4,5-trifluorophenyl)methyl]pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;6-[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]pyridine-3-carboxylic acid;tris(carbon dioxide);4-[8-[[5-chloro-1-propan-2-yl-3-(2,3,5-trifluorophenyl)pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;8-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;8-[(4,8-dimethyl-3,4-dihydro-2H-chromen-6-yl)methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 158548642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).