6-[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]pyridine-3-carboxylic acid;4-[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]-2-fluorobenzoic 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;tetrakis(carbon dioxide);8-[(5-chloro-4-ethoxy-8-methoxynaphthalen-2-yl)methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;8-[(4,4-dimethyl-2,3-dihydrochromen-6-yl)methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;8-[[5-ethoxy-3-(trifluoromethyl)isoquinolin-7-yl]methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;8-[[8-ethoxy-2-(trifluoromethyl)quinolin-6-yl]methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one

C191H196Cl2F16N24O33 — CID 160844427

IUPAC6-[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]pyridine-3-carboxylic acid;4-[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]-2-fluorobenzoic 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;tetrakis(carbon dioxide);8-[(5-chloro-4-ethoxy-8-methoxynaphthalen-2-yl)methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;8-[(4,4-dimethyl-2,3-dihydrochromen-6-yl)methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;8-[[5-ethoxy-3-(trifluoromethyl)isoquinolin-7-yl]methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;8-[[8-ethoxy-2-(trifluoromethyl)quinolin-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)c(F)c2)C(=O)O3)c(-c2ccc(F)c(F)c2F)n1.CC(C)(C)n1cc(CN2CCC3(CC2)CN(c2ccc(C(=O)O)cn2)C(=O)O3)c(-c2ccc(F)c(F)c2F)n1.CC1(C)CCOc2ccc(CN3CCC4(CC3)CN(c3ccccc3)C(=O)O4)cc21.CCCCn1nc(Cc2cc(F)c(F)cc2F)c(CN2CCC3(CC2)CN(c2ccc(C(=O)O)cn2)C(=O)O3)c1Cl.CCOc1cc(CN2CCC3(CC2)CN(c2ccccc2)C(=O)O3)cc2c(OC)ccc(Cl)c12.CCOc1cc(CN2CCC3(CC2)CN(c2ccccc2)C(=O)O3)cc2ccc(C(F)(F)F)nc12.CCOc1cc(CN2CCC3(CC2)CN(c2ccccc2)C(=O)O3)cc2cnc(C(F)(F)F)cc12.O=C=O.O=C=O.O=C=O.O=C=O
InChIInChI=1S/C28H29ClF3N5O4.C28H28F4N4O4.C27H29ClN2O4.C27H28F3N5O4.2C26H26F3N3O3.C25H30N2O3.4CO2/c1-2-3-8-37-25(29)19(23(34-37)12-18-11-21(31)22(32)13-20(18)30)15-35-9-6-28(7-10-35)16-36(27(40)41-28)24-5-4-17(14-33-24)26(38)39;1-27(2,3)36-14-16(24(33-36)19-6-7-20(29)23(32)22(19)31)13-34-10-8-28(9-11-34)15-35(26(39)40-28)17-4-5-18(25(37)38)21(30)12-17;1-3-33-24-16-19(15-21-23(32-2)10-9-22(28)25(21)24)17-29-13-11-27(12-14-29)18-30(26(31)34-27)20-7-5-4-6-8-20;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;1-2-34-22-13-18(12-19-15-30-23(14-21(19)22)26(27,28)29)16-31-10-8-25(9-11-31)17-32(24(33)35-25)20-6-4-3-5-7-20;1-2-34-21-15-18(14-19-8-9-22(26(27,28)29)30-23(19)21)16-31-12-10-25(11-13-31)17-32(24(33)35-25)20-6-4-3-5-7-20;1-24(2)12-15-29-22-9-8-19(16-21(22)24)17-26-13-10-25(11-14-26)18-27(23(28)30-25)20-6-4-3-5-7-20;4*2-1-3/h4-5,11,13-14H,2-3,6-10,12,15-16H2,1H3,(H,38,39);4-7,12,14H,8-11,13,15H2,1-3H3,(H,37,38);4-10,15-16H,3,11-14,17-18H2,1-2H3;4-7,12,14H,8-11,13,15H2,1-3H3,(H,36,37);3-7,12-15H,2,8-11,16-17H2,1H3;3-9,14-15H,2,10-13,16-17H2,1H3;3-9,16H,10-15,17-18H2,1-2H3;;;;
InChIKeySILMKWXPKOIDGK-UHFFFAOYSA-N
MW3730.68 g/mol
LogP35.37
Rot. Bonds38

About 6-[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]pyridine-3-carboxylic acid;4-[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]-2-fluorobenzoic 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;tetrakis(carbon dioxide);8-[(5-chloro-4-ethoxy-8-methoxynaphthalen-2-yl)methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;8-[(4,4-dimethyl-2,3-dihydrochromen-6-yl)methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;8-[[5-ethoxy-3-(trifluoromethyl)isoquinolin-7-yl]methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;8-[[8-ethoxy-2-(trifluoromethyl)quinolin-6-yl]methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one

6-[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]pyridine-3-carboxylic acid;4-[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]-2-fluorobenzoic 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;tetrakis(carbon dioxide);8-[(5-chloro-4-ethoxy-8-methoxynaphthalen-2-yl)methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;8-[(4,4-dimethyl-2,3-dihydrochromen-6-yl)methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;8-[[5-ethoxy-3-(trifluoromethyl)isoquinolin-7-yl]methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;8-[[8-ethoxy-2-(trifluoromethyl)quinolin-6-yl]methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one (PubChem CID 160844427) has the molecular formula C191H196Cl2F16N24O33 and a molecular weight of 3730.68 g/mol. Its IUPAC name is 6-[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]pyridine-3-carboxylic acid;4-[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]-2-fluorobenzoic 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;tetrakis(carbon dioxide);8-[(5-chloro-4-ethoxy-8-methoxynaphthalen-2-yl)methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;8-[(4,4-dimethyl-2,3-dihydrochromen-6-yl)methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;8-[[5-ethoxy-3-(trifluoromethyl)isoquinolin-7-yl]methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;8-[[8-ethoxy-2-(trifluoromethyl)quinolin-6-yl]methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name6-[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]pyridine-3-carboxylic acid;4-[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]-2-fluorobenzoic 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;tetrakis(carbon dioxide);8-[(5-chloro-4-ethoxy-8-methoxynaphthalen-2-yl)methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;8-[(4,4-dimethyl-2,3-dihydrochromen-6-yl)methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;8-[[5-ethoxy-3-(trifluoromethyl)isoquinolin-7-yl]methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;8-[[8-ethoxy-2-(trifluoromethyl)quinolin-6-yl]methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
PubChem CID160844427
Molecular FormulaC191H196Cl2F16N24O33
Molecular Weight3730.68 g/mol
Exact Mass3727.35
IUPAC Name6-[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]pyridine-3-carboxylic acid;4-[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]-2-fluorobenzoic 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;tetrakis(carbon dioxide);8-[(5-chloro-4-ethoxy-8-methoxynaphthalen-2-yl)methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;8-[(4,4-dimethyl-2,3-dihydrochromen-6-yl)methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;8-[[5-ethoxy-3-(trifluoromethyl)isoquinolin-7-yl]methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;8-[[8-ethoxy-2-(trifluoromethyl)quinolin-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)c(F)c2)C(=O)O3)c(-c2ccc(F)c(F)c2F)n1.CC(C)(C)n1cc(CN2CCC3(CC2)CN(c2ccc(C(=O)O)cn2)C(=O)O3)c(-c2ccc(F)c(F)c2F)n1.CC1(C)CCOc2ccc(CN3CCC4(CC3)CN(c3ccccc3)C(=O)O4)cc21.CCCCn1nc(Cc2cc(F)c(F)cc2F)c(CN2CCC3(CC2)CN(c2ccc(C(=O)O)cn2)C(=O)O3)c1Cl.CCOc1cc(CN2CCC3(CC2)CN(c2ccccc2)C(=O)O3)cc2c(OC)ccc(Cl)c12.CCOc1cc(CN2CCC3(CC2)CN(c2ccccc2)C(=O)O3)cc2ccc(C(F)(F)F)nc12.CCOc1cc(CN2CCC3(CC2)CN(c2ccccc2)C(=O)O3)cc2cnc(C(F)(F)F)cc12.O=C=O.O=C=O.O=C=O.O=C=O
InChIInChI=1S/C28H29ClF3N5O4.C28H28F4N4O4.C27H29ClN2O4.C27H28F3N5O4.2C26H26F3N3O3.C25H30N2O3.4CO2/c1-2-3-8-37-25(29)19(23(34-37)12-18-11-21(31)22(32)13-20(18)30)15-35-9-6-28(7-10-35)16-36(27(40)41-28)24-5-4-17(14-33-24)26(38)39;1-27(2,3)36-14-16(24(33-36)19-6-7-20(29)23(32)22(19)31)13-34-10-8-28(9-11-34)15-35(26(39)40-28)17-4-5-18(25(37)38)21(30)12-17;1-3-33-24-16-19(15-21-23(32-2)10-9-22(28)25(21)24)17-29-13-11-27(12-14-29)18-30(26(31)34-27)20-7-5-4-6-8-20;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;1-2-34-22-13-18(12-19-15-30-23(14-21(19)22)26(27,28)29)16-31-10-8-25(9-11-31)17-32(24(33)35-25)20-6-4-3-5-7-20;1-2-34-21-15-18(14-19-8-9-22(26(27,28)29)30-23(19)21)16-31-12-10-25(11-13-31)17-32(24(33)35-25)20-6-4-3-5-7-20;1-24(2)12-15-29-22-9-8-19(16-21(22)24)17-26-13-10-25(11-14-26)18-27(23(28)30-25)20-6-4-3-5-7-20;4*2-1-3/h4-5,11,13-14H,2-3,6-10,12,15-16H2,1H3,(H,38,39);4-7,12,14H,8-11,13,15H2,1-3H3,(H,37,38);4-10,15-16H,3,11-14,17-18H2,1-2H3;4-7,12,14H,8-11,13,15H2,1-3H3,(H,36,37);3-7,12-15H,2,8-11,16-17H2,1H3;3-9,14-15H,2,10-13,16-17H2,1H3;3-9,16H,10-15,17-18H2,1-2H3;;;;
InChIKeySILMKWXPKOIDGK-UHFFFAOYSA-N
XLogP35.37
TPSA629.09 Ų
H-Bond Donors3
H-Bond Acceptors47
Rotatable Bonds38
Heavy Atoms266
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003730.68
LogP ≤ 535.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1047

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 6-[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]pyridine-3-carboxylic acid;4-[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]-2-fluorobenzoic 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;tetrakis(carbon dioxide);8-[(5-chloro-4-ethoxy-8-methoxynaphthalen-2-yl)methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;8-[(4,4-dimethyl-2,3-dihydrochromen-6-yl)methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;8-[[5-ethoxy-3-(trifluoromethyl)isoquinolin-7-yl]methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;8-[[8-ethoxy-2-(trifluoromethyl)quinolin-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 6-[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]pyridine-3-carboxylic acid;4-[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]-2-fluorobenzoic 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;tetrakis(carbon dioxide);8-[(5-chloro-4-ethoxy-8-methoxynaphthalen-2-yl)methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;8-[(4,4-dimethyl-2,3-dihydrochromen-6-yl)methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;8-[[5-ethoxy-3-(trifluoromethyl)isoquinolin-7-yl]methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;8-[[8-ethoxy-2-(trifluoromethyl)quinolin-6-yl]methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 6-[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]pyridine-3-carboxylic acid;4-[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]-2-fluorobenzoic 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;tetrakis(carbon dioxide);8-[(5-chloro-4-ethoxy-8-methoxynaphthalen-2-yl)methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;8-[(4,4-dimethyl-2,3-dihydrochromen-6-yl)methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;8-[[5-ethoxy-3-(trifluoromethyl)isoquinolin-7-yl]methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;8-[[8-ethoxy-2-(trifluoromethyl)quinolin-6-yl]methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one (CID 160844427) is 6-[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]pyridine-3-carboxylic acid;4-[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]-2-fluorobenzoic 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;tetrakis(carbon dioxide);8-[(5-chloro-4-ethoxy-8-methoxynaphthalen-2-yl)methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;8-[(4,4-dimethyl-2,3-dihydrochromen-6-yl)methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;8-[[5-ethoxy-3-(trifluoromethyl)isoquinolin-7-yl]methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;8-[[8-ethoxy-2-(trifluoromethyl)quinolin-6-yl]methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 6-[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]pyridine-3-carboxylic acid;4-[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]-2-fluorobenzoic 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;tetrakis(carbon dioxide);8-[(5-chloro-4-ethoxy-8-methoxynaphthalen-2-yl)methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;8-[(4,4-dimethyl-2,3-dihydrochromen-6-yl)methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;8-[[5-ethoxy-3-(trifluoromethyl)isoquinolin-7-yl]methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;8-[[8-ethoxy-2-(trifluoromethyl)quinolin-6-yl]methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 6-[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]pyridine-3-carboxylic acid;4-[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]-2-fluorobenzoic 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;tetrakis(carbon dioxide);8-[(5-chloro-4-ethoxy-8-methoxynaphthalen-2-yl)methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;8-[(4,4-dimethyl-2,3-dihydrochromen-6-yl)methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;8-[[5-ethoxy-3-(trifluoromethyl)isoquinolin-7-yl]methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;8-[[8-ethoxy-2-(trifluoromethyl)quinolin-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)c(F)c2)C(=O)O3)c(-c2ccc(F)c(F)c2F)n1.CC(C)(C)n1cc(CN2CCC3(CC2)CN(c2ccc(C(=O)O)cn2)C(=O)O3)c(-c2ccc(F)c(F)c2F)n1.CC1(C)CCOc2ccc(CN3CCC4(CC3)CN(c3ccccc3)C(=O)O4)cc21.CCCCn1nc(Cc2cc(F)c(F)cc2F)c(CN2CCC3(CC2)CN(c2ccc(C(=O)O)cn2)C(=O)O3)c1Cl.CCOc1cc(CN2CCC3(CC2)CN(c2ccccc2)C(=O)O3)cc2c(OC)ccc(Cl)c12.CCOc1cc(CN2CCC3(CC2)CN(c2ccccc2)C(=O)O3)cc2ccc(C(F)(F)F)nc12.CCOc1cc(CN2CCC3(CC2)CN(c2ccccc2)C(=O)O3)cc2cnc(C(F)(F)F)cc12.O=C=O.O=C=O.O=C=O.O=C=O.
What is the InChIKey of 6-[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]pyridine-3-carboxylic acid;4-[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]-2-fluorobenzoic 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;tetrakis(carbon dioxide);8-[(5-chloro-4-ethoxy-8-methoxynaphthalen-2-yl)methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;8-[(4,4-dimethyl-2,3-dihydrochromen-6-yl)methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;8-[[5-ethoxy-3-(trifluoromethyl)isoquinolin-7-yl]methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;8-[[8-ethoxy-2-(trifluoromethyl)quinolin-6-yl]methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The InChIKey is SILMKWXPKOIDGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29ClF3N5O4.C28H28F4N4O4.C27H29ClN2O4.C27H28F3N5O4.2C26H26F3N3O3.C25H30N2O3.4CO2/c1-2-3-8-37-25(29)19(23(34-37)12-18-11-21(31)22(32)13-20(18)30)15-35-9-6-28(7-10-35)16-36(27(40)41-28)24-5-4-17(14-33-24)26(38)39;1-27(2,3)36-14-16(24(33-36)19-6-7-20(29)23(32)22(19)31)13-34-10-8-28(9-11-34)15-35(26(39)40-28)17-4-5-18(25(37)38)21(30)12-17;1-3-33-24-16-19(15-21-23(32-2)10-9-22(28)25(21)24)17-29-13-11-27(12-14-29)18-30(26(31)34-27)20-7-5-4-6-8-20;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;1-2-34-22-13-18(12-19-15-30-23(14-21(19)22)26(27,28)29)16-31-10-8-25(9-11-31)17-32(24(33)35-25)20-6-4-3-5-7-20;1-2-34-21-15-18(14-19-8-9-22(26(27,28)29)30-23(19)21)16-31-12-10-25(11-13-31)17-32(24(33)35-25)20-6-4-3-5-7-20;1-24(2)12-15-29-22-9-8-19(16-21(22)24)17-26-13-10-25(11-14-26)18-27(23(28)30-25)20-6-4-3-5-7-20;4*2-1-3/h4-5,11,13-14H,2-3,6-10,12,15-16H2,1H3,(H,38,39);4-7,12,14H,8-11,13,15H2,1-3H3,(H,37,38);4-10,15-16H,3,11-14,17-18H2,1-2H3;4-7,12,14H,8-11,13,15H2,1-3H3,(H,36,37);3-7,12-15H,2,8-11,16-17H2,1H3;3-9,14-15H,2,10-13,16-17H2,1H3;3-9,16H,10-15,17-18H2,1-2H3;;;;.
What are the key properties of 6-[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]pyridine-3-carboxylic acid;4-[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]-2-fluorobenzoic 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;tetrakis(carbon dioxide);8-[(5-chloro-4-ethoxy-8-methoxynaphthalen-2-yl)methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;8-[(4,4-dimethyl-2,3-dihydrochromen-6-yl)methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;8-[[5-ethoxy-3-(trifluoromethyl)isoquinolin-7-yl]methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;8-[[8-ethoxy-2-(trifluoromethyl)quinolin-6-yl]methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
6-[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]pyridine-3-carboxylic acid;4-[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]-2-fluorobenzoic 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;tetrakis(carbon dioxide);8-[(5-chloro-4-ethoxy-8-methoxynaphthalen-2-yl)methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;8-[(4,4-dimethyl-2,3-dihydrochromen-6-yl)methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;8-[[5-ethoxy-3-(trifluoromethyl)isoquinolin-7-yl]methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;8-[[8-ethoxy-2-(trifluoromethyl)quinolin-6-yl]methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one has a molecular weight of 3730.68 g/mol, XLogP of 35.37, 38 rotatable bonds, 3 hydrogen bond donors, and 47 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[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]pyridine-3-carboxylic acid;4-[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]-2-fluorobenzoic 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;tetrakis(carbon dioxide);8-[(5-chloro-4-ethoxy-8-methoxynaphthalen-2-yl)methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;8-[(4,4-dimethyl-2,3-dihydrochromen-6-yl)methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;8-[[5-ethoxy-3-(trifluoromethyl)isoquinolin-7-yl]methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;8-[[8-ethoxy-2-(trifluoromethyl)quinolin-6-yl]methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 160844427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).