4-[8-[[4-chloro-3-(2-methoxypropan-2-yl)phenyl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[8-[[4-(3,5-difluoro-2-pyridinyl)-3-(methoxymethyl)phenyl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[8-[[4-(5-fluoro-2-pyridinyl)-3-(methoxymethyl)phenyl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[8-[[4-(6-fluoro-3-pyridinyl)-3-(2-methoxypropan-2-yl)phenyl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[8-[[4-(6-fluoro-3-pyridinyl)-3-(trifluoromethoxy)phenyl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[8-[[4-(6-fluoro-3-pyridinyl)-3-(trifluoromethyl)phenyl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[8-[[3-(methoxymethyl)-4-(6-methyl-3-pyridinyl)phenyl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[8-[[3-(methoxymethyl)-4-[6-(trifluoromethyl)-3-pyridinyl]phenyl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid

C223H221ClF15N23O39 — CID 158879969

IUPAC4-[8-[[4-chloro-3-(2-methoxypropan-2-yl)phenyl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[8-[[4-(3,5-difluoro-2-pyridinyl)-3-(methoxymethyl)phenyl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[8-[[4-(5-fluoro-2-pyridinyl)-3-(methoxymethyl)phenyl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[8-[[4-(6-fluoro-3-pyridinyl)-3-(2-methoxypropan-2-yl)phenyl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[8-[[4-(6-fluoro-3-pyridinyl)-3-(trifluoromethoxy)phenyl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[8-[[4-(6-fluoro-3-pyridinyl)-3-(trifluoromethyl)phenyl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[8-[[3-(methoxymethyl)-4-(6-methyl-3-pyridinyl)phenyl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[8-[[3-(methoxymethyl)-4-[6-(trifluoromethyl)-3-pyridinyl]phenyl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid
SMILESCOC(C)(C)c1cc(CN2CCC3(CC2)CN(c2ccc(C(=O)O)cc2)C(=O)O3)ccc1-c1ccc(F)nc1.COC(C)(C)c1cc(CN2CCC3(CC2)CN(c2ccc(C(=O)O)cc2)C(=O)O3)ccc1Cl.COCc1cc(CN2CCC3(CC2)CN(c2ccc(C(=O)O)cc2)C(=O)O3)ccc1-c1ccc(C(F)(F)F)nc1.COCc1cc(CN2CCC3(CC2)CN(c2ccc(C(=O)O)cc2)C(=O)O3)ccc1-c1ccc(C)nc1.COCc1cc(CN2CCC3(CC2)CN(c2ccc(C(=O)O)cc2)C(=O)O3)ccc1-c1ccc(F)cn1.COCc1cc(CN2CCC3(CC2)CN(c2ccc(C(=O)O)cc2)C(=O)O3)ccc1-c1ncc(F)cc1F.O=C(O)c1ccc(N2CC3(CCN(Cc4ccc(-c5ccc(F)nc5)c(C(F)(F)F)c4)CC3)OC2=O)cc1.O=C(O)c1ccc(N2CC3(CCN(Cc4ccc(-c5ccc(F)nc5)c(OC(F)(F)F)c4)CC3)OC2=O)cc1
InChIInChI=1S/C30H32FN3O5.C29H28F3N3O5.C29H31N3O5.C28H27F2N3O5.C28H28FN3O5.C27H23F4N3O5.C27H23F4N3O4.C25H29ClN2O5/c1-29(2,38-3)25-16-20(4-10-24(25)22-7-11-26(31)32-17-22)18-33-14-12-30(13-15-33)19-34(28(37)39-30)23-8-5-21(6-9-23)27(35)36;1-39-17-22-14-19(2-8-24(22)21-5-9-25(33-15-21)29(30,31)32)16-34-12-10-28(11-13-34)18-35(27(38)40-28)23-6-3-20(4-7-23)26(36)37;1-20-3-5-23(16-30-20)26-10-4-21(15-24(26)18-36-2)17-31-13-11-29(12-14-31)19-32(28(35)37-29)25-8-6-22(7-9-25)27(33)34;1-37-16-20-12-18(2-7-23(20)25-24(30)13-21(29)14-31-25)15-32-10-8-28(9-11-32)17-33(27(36)38-28)22-5-3-19(4-6-22)26(34)35;1-36-17-21-14-19(2-8-24(21)25-9-5-22(29)15-30-25)16-31-12-10-28(11-13-31)18-32(27(35)37-28)23-6-3-20(4-7-23)26(33)34;28-23-8-4-19(14-32-23)21-7-1-17(13-22(21)38-27(29,30)31)15-33-11-9-26(10-12-33)16-34(25(37)39-26)20-5-2-18(3-6-20)24(35)36;28-23-8-4-19(14-32-23)21-7-1-17(13-22(21)27(29,30)31)15-33-11-9-26(10-12-33)16-34(25(37)38-26)20-5-2-18(3-6-20)24(35)36;1-24(2,32-3)20-14-17(4-9-21(20)26)15-27-12-10-25(11-13-27)16-28(23(31)33-25)19-7-5-18(6-8-19)22(29)30/h4-11,16-17H,12-15,18-19H2,1-3H3,(H,35,36);2-9,14-15H,10-13,16-18H2,1H3,(H,36,37);3-10,15-16H,11-14,17-19H2,1-2H3,(H,33,34);2-7,12-14H,8-11,15-17H2,1H3,(H,34,35);2-9,14-15H,10-13,16-18H2,1H3,(H,33,34);1-8,13-14H,9-12,15-16H2,(H,35,36);1-8,13-14H,9-12,15-16H2,(H,35,36);4-9,14H,10-13,15-16H2,1-3H3,(H,29,30)
InChIKeyJCXIZRGIDABRJR-UHFFFAOYSA-N
MW4167.77 g/mol
LogP41.52
Rot. Bonds52

About 4-[8-[[4-chloro-3-(2-methoxypropan-2-yl)phenyl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[8-[[4-(3,5-difluoro-2-pyridinyl)-3-(methoxymethyl)phenyl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[8-[[4-(5-fluoro-2-pyridinyl)-3-(methoxymethyl)phenyl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[8-[[4-(6-fluoro-3-pyridinyl)-3-(2-methoxypropan-2-yl)phenyl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[8-[[4-(6-fluoro-3-pyridinyl)-3-(trifluoromethoxy)phenyl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[8-[[4-(6-fluoro-3-pyridinyl)-3-(trifluoromethyl)phenyl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[8-[[3-(methoxymethyl)-4-(6-methyl-3-pyridinyl)phenyl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[8-[[3-(methoxymethyl)-4-[6-(trifluoromethyl)-3-pyridinyl]phenyl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid

4-[8-[[4-chloro-3-(2-methoxypropan-2-yl)phenyl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[8-[[4-(3,5-difluoro-2-pyridinyl)-3-(methoxymethyl)phenyl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[8-[[4-(5-fluoro-2-pyridinyl)-3-(methoxymethyl)phenyl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[8-[[4-(6-fluoro-3-pyridinyl)-3-(2-methoxypropan-2-yl)phenyl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[8-[[4-(6-fluoro-3-pyridinyl)-3-(trifluoromethoxy)phenyl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[8-[[4-(6-fluoro-3-pyridinyl)-3-(trifluoromethyl)phenyl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[8-[[3-(methoxymethyl)-4-(6-methyl-3-pyridinyl)phenyl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[8-[[3-(methoxymethyl)-4-[6-(trifluoromethyl)-3-pyridinyl]phenyl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid (PubChem CID 158879969) has the molecular formula C223H221ClF15N23O39 and a molecular weight of 4167.77 g/mol. Its IUPAC name is 4-[8-[[4-chloro-3-(2-methoxypropan-2-yl)phenyl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[8-[[4-(3,5-difluoro-2-pyridinyl)-3-(methoxymethyl)phenyl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[8-[[4-(5-fluoro-2-pyridinyl)-3-(methoxymethyl)phenyl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[8-[[4-(6-fluoro-3-pyridinyl)-3-(2-methoxypropan-2-yl)phenyl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[8-[[4-(6-fluoro-3-pyridinyl)-3-(trifluoromethoxy)phenyl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[8-[[4-(6-fluoro-3-pyridinyl)-3-(trifluoromethyl)phenyl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[8-[[3-(methoxymethyl)-4-(6-methyl-3-pyridinyl)phenyl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[8-[[3-(methoxymethyl)-4-[6-(trifluoromethyl)-3-pyridinyl]phenyl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid.

Molecular Properties

Compound Name4-[8-[[4-chloro-3-(2-methoxypropan-2-yl)phenyl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[8-[[4-(3,5-difluoro-2-pyridinyl)-3-(methoxymethyl)phenyl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[8-[[4-(5-fluoro-2-pyridinyl)-3-(methoxymethyl)phenyl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[8-[[4-(6-fluoro-3-pyridinyl)-3-(2-methoxypropan-2-yl)phenyl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[8-[[4-(6-fluoro-3-pyridinyl)-3-(trifluoromethoxy)phenyl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[8-[[4-(6-fluoro-3-pyridinyl)-3-(trifluoromethyl)phenyl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[8-[[3-(methoxymethyl)-4-(6-methyl-3-pyridinyl)phenyl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[8-[[3-(methoxymethyl)-4-[6-(trifluoromethyl)-3-pyridinyl]phenyl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid
PubChem CID158879969
Molecular FormulaC223H221ClF15N23O39
Molecular Weight4167.77 g/mol
Exact Mass4164.55
IUPAC Name4-[8-[[4-chloro-3-(2-methoxypropan-2-yl)phenyl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[8-[[4-(3,5-difluoro-2-pyridinyl)-3-(methoxymethyl)phenyl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[8-[[4-(5-fluoro-2-pyridinyl)-3-(methoxymethyl)phenyl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[8-[[4-(6-fluoro-3-pyridinyl)-3-(2-methoxypropan-2-yl)phenyl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[8-[[4-(6-fluoro-3-pyridinyl)-3-(trifluoromethoxy)phenyl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[8-[[4-(6-fluoro-3-pyridinyl)-3-(trifluoromethyl)phenyl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[8-[[3-(methoxymethyl)-4-(6-methyl-3-pyridinyl)phenyl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[8-[[3-(methoxymethyl)-4-[6-(trifluoromethyl)-3-pyridinyl]phenyl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid
SMILESCOC(C)(C)c1cc(CN2CCC3(CC2)CN(c2ccc(C(=O)O)cc2)C(=O)O3)ccc1-c1ccc(F)nc1.COC(C)(C)c1cc(CN2CCC3(CC2)CN(c2ccc(C(=O)O)cc2)C(=O)O3)ccc1Cl.COCc1cc(CN2CCC3(CC2)CN(c2ccc(C(=O)O)cc2)C(=O)O3)ccc1-c1ccc(C(F)(F)F)nc1.COCc1cc(CN2CCC3(CC2)CN(c2ccc(C(=O)O)cc2)C(=O)O3)ccc1-c1ccc(C)nc1.COCc1cc(CN2CCC3(CC2)CN(c2ccc(C(=O)O)cc2)C(=O)O3)ccc1-c1ccc(F)cn1.COCc1cc(CN2CCC3(CC2)CN(c2ccc(C(=O)O)cc2)C(=O)O3)ccc1-c1ncc(F)cc1F.O=C(O)c1ccc(N2CC3(CCN(Cc4ccc(-c5ccc(F)nc5)c(C(F)(F)F)c4)CC3)OC2=O)cc1.O=C(O)c1ccc(N2CC3(CCN(Cc4ccc(-c5ccc(F)nc5)c(OC(F)(F)F)c4)CC3)OC2=O)cc1
InChIInChI=1S/C30H32FN3O5.C29H28F3N3O5.C29H31N3O5.C28H27F2N3O5.C28H28FN3O5.C27H23F4N3O5.C27H23F4N3O4.C25H29ClN2O5/c1-29(2,38-3)25-16-20(4-10-24(25)22-7-11-26(31)32-17-22)18-33-14-12-30(13-15-33)19-34(28(37)39-30)23-8-5-21(6-9-23)27(35)36;1-39-17-22-14-19(2-8-24(22)21-5-9-25(33-15-21)29(30,31)32)16-34-12-10-28(11-13-34)18-35(27(38)40-28)23-6-3-20(4-7-23)26(36)37;1-20-3-5-23(16-30-20)26-10-4-21(15-24(26)18-36-2)17-31-13-11-29(12-14-31)19-32(28(35)37-29)25-8-6-22(7-9-25)27(33)34;1-37-16-20-12-18(2-7-23(20)25-24(30)13-21(29)14-31-25)15-32-10-8-28(9-11-32)17-33(27(36)38-28)22-5-3-19(4-6-22)26(34)35;1-36-17-21-14-19(2-8-24(21)25-9-5-22(29)15-30-25)16-31-12-10-28(11-13-31)18-32(27(35)37-28)23-6-3-20(4-7-23)26(33)34;28-23-8-4-19(14-32-23)21-7-1-17(13-22(21)38-27(29,30)31)15-33-11-9-26(10-12-33)16-34(25(37)39-26)20-5-2-18(3-6-20)24(35)36;28-23-8-4-19(14-32-23)21-7-1-17(13-22(21)27(29,30)31)15-33-11-9-26(10-12-33)16-34(25(37)38-26)20-5-2-18(3-6-20)24(35)36;1-24(2,32-3)20-14-17(4-9-21(20)26)15-27-12-10-25(11-13-27)16-28(23(31)33-25)19-7-5-18(6-8-19)22(29)30/h4-11,16-17H,12-15,18-19H2,1-3H3,(H,35,36);2-9,14-15H,10-13,16-18H2,1H3,(H,36,37);3-10,15-16H,11-14,17-19H2,1-2H3,(H,33,34);2-7,12-14H,8-11,15-17H2,1H3,(H,34,35);2-9,14-15H,10-13,16-18H2,1H3,(H,33,34);1-8,13-14H,9-12,15-16H2,(H,35,36);1-8,13-14H,9-12,15-16H2,(H,35,36);4-9,14H,10-13,15-16H2,1-3H3,(H,29,30)
InChIKeyJCXIZRGIDABRJR-UHFFFAOYSA-N
XLogP41.52
TPSA715.48 Ų
H-Bond Donors8
H-Bond Acceptors46
Rotatable Bonds52
Heavy Atoms301
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004167.77
LogP ≤ 541.52
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1046

Analyze 4-[8-[[4-chloro-3-(2-methoxypropan-2-yl)phenyl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[8-[[4-(3,5-difluoro-2-pyridinyl)-3-(methoxymethyl)phenyl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[8-[[4-(5-fluoro-2-pyridinyl)-3-(methoxymethyl)phenyl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[8-[[4-(6-fluoro-3-pyridinyl)-3-(2-methoxypropan-2-yl)phenyl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[8-[[4-(6-fluoro-3-pyridinyl)-3-(trifluoromethoxy)phenyl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[8-[[4-(6-fluoro-3-pyridinyl)-3-(trifluoromethyl)phenyl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[8-[[3-(methoxymethyl)-4-(6-methyl-3-pyridinyl)phenyl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[8-[[3-(methoxymethyl)-4-[6-(trifluoromethyl)-3-pyridinyl]phenyl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[8-[[4-chloro-3-(2-methoxypropan-2-yl)phenyl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[8-[[4-(3,5-difluoro-2-pyridinyl)-3-(methoxymethyl)phenyl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[8-[[4-(5-fluoro-2-pyridinyl)-3-(methoxymethyl)phenyl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[8-[[4-(6-fluoro-3-pyridinyl)-3-(2-methoxypropan-2-yl)phenyl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[8-[[4-(6-fluoro-3-pyridinyl)-3-(trifluoromethoxy)phenyl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[8-[[4-(6-fluoro-3-pyridinyl)-3-(trifluoromethyl)phenyl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[8-[[3-(methoxymethyl)-4-(6-methyl-3-pyridinyl)phenyl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[8-[[3-(methoxymethyl)-4-[6-(trifluoromethyl)-3-pyridinyl]phenyl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid?
The IUPAC name of 4-[8-[[4-chloro-3-(2-methoxypropan-2-yl)phenyl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[8-[[4-(3,5-difluoro-2-pyridinyl)-3-(methoxymethyl)phenyl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[8-[[4-(5-fluoro-2-pyridinyl)-3-(methoxymethyl)phenyl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[8-[[4-(6-fluoro-3-pyridinyl)-3-(2-methoxypropan-2-yl)phenyl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[8-[[4-(6-fluoro-3-pyridinyl)-3-(trifluoromethoxy)phenyl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[8-[[4-(6-fluoro-3-pyridinyl)-3-(trifluoromethyl)phenyl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[8-[[3-(methoxymethyl)-4-(6-methyl-3-pyridinyl)phenyl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[8-[[3-(methoxymethyl)-4-[6-(trifluoromethyl)-3-pyridinyl]phenyl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid (CID 158879969) is 4-[8-[[4-chloro-3-(2-methoxypropan-2-yl)phenyl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[8-[[4-(3,5-difluoro-2-pyridinyl)-3-(methoxymethyl)phenyl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[8-[[4-(5-fluoro-2-pyridinyl)-3-(methoxymethyl)phenyl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[8-[[4-(6-fluoro-3-pyridinyl)-3-(2-methoxypropan-2-yl)phenyl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[8-[[4-(6-fluoro-3-pyridinyl)-3-(trifluoromethoxy)phenyl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[8-[[4-(6-fluoro-3-pyridinyl)-3-(trifluoromethyl)phenyl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[8-[[3-(methoxymethyl)-4-(6-methyl-3-pyridinyl)phenyl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[8-[[3-(methoxymethyl)-4-[6-(trifluoromethyl)-3-pyridinyl]phenyl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid.
What is the SMILES notation for 4-[8-[[4-chloro-3-(2-methoxypropan-2-yl)phenyl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[8-[[4-(3,5-difluoro-2-pyridinyl)-3-(methoxymethyl)phenyl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[8-[[4-(5-fluoro-2-pyridinyl)-3-(methoxymethyl)phenyl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[8-[[4-(6-fluoro-3-pyridinyl)-3-(2-methoxypropan-2-yl)phenyl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[8-[[4-(6-fluoro-3-pyridinyl)-3-(trifluoromethoxy)phenyl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[8-[[4-(6-fluoro-3-pyridinyl)-3-(trifluoromethyl)phenyl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[8-[[3-(methoxymethyl)-4-(6-methyl-3-pyridinyl)phenyl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[8-[[3-(methoxymethyl)-4-[6-(trifluoromethyl)-3-pyridinyl]phenyl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid?
The canonical SMILES for 4-[8-[[4-chloro-3-(2-methoxypropan-2-yl)phenyl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[8-[[4-(3,5-difluoro-2-pyridinyl)-3-(methoxymethyl)phenyl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[8-[[4-(5-fluoro-2-pyridinyl)-3-(methoxymethyl)phenyl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[8-[[4-(6-fluoro-3-pyridinyl)-3-(2-methoxypropan-2-yl)phenyl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[8-[[4-(6-fluoro-3-pyridinyl)-3-(trifluoromethoxy)phenyl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[8-[[4-(6-fluoro-3-pyridinyl)-3-(trifluoromethyl)phenyl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[8-[[3-(methoxymethyl)-4-(6-methyl-3-pyridinyl)phenyl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[8-[[3-(methoxymethyl)-4-[6-(trifluoromethyl)-3-pyridinyl]phenyl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid is COC(C)(C)c1cc(CN2CCC3(CC2)CN(c2ccc(C(=O)O)cc2)C(=O)O3)ccc1-c1ccc(F)nc1.COC(C)(C)c1cc(CN2CCC3(CC2)CN(c2ccc(C(=O)O)cc2)C(=O)O3)ccc1Cl.COCc1cc(CN2CCC3(CC2)CN(c2ccc(C(=O)O)cc2)C(=O)O3)ccc1-c1ccc(C(F)(F)F)nc1.COCc1cc(CN2CCC3(CC2)CN(c2ccc(C(=O)O)cc2)C(=O)O3)ccc1-c1ccc(C)nc1.COCc1cc(CN2CCC3(CC2)CN(c2ccc(C(=O)O)cc2)C(=O)O3)ccc1-c1ccc(F)cn1.COCc1cc(CN2CCC3(CC2)CN(c2ccc(C(=O)O)cc2)C(=O)O3)ccc1-c1ncc(F)cc1F.O=C(O)c1ccc(N2CC3(CCN(Cc4ccc(-c5ccc(F)nc5)c(C(F)(F)F)c4)CC3)OC2=O)cc1.O=C(O)c1ccc(N2CC3(CCN(Cc4ccc(-c5ccc(F)nc5)c(OC(F)(F)F)c4)CC3)OC2=O)cc1.
What is the InChIKey of 4-[8-[[4-chloro-3-(2-methoxypropan-2-yl)phenyl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[8-[[4-(3,5-difluoro-2-pyridinyl)-3-(methoxymethyl)phenyl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[8-[[4-(5-fluoro-2-pyridinyl)-3-(methoxymethyl)phenyl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[8-[[4-(6-fluoro-3-pyridinyl)-3-(2-methoxypropan-2-yl)phenyl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[8-[[4-(6-fluoro-3-pyridinyl)-3-(trifluoromethoxy)phenyl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[8-[[4-(6-fluoro-3-pyridinyl)-3-(trifluoromethyl)phenyl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[8-[[3-(methoxymethyl)-4-(6-methyl-3-pyridinyl)phenyl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[8-[[3-(methoxymethyl)-4-[6-(trifluoromethyl)-3-pyridinyl]phenyl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid?
The InChIKey is JCXIZRGIDABRJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32FN3O5.C29H28F3N3O5.C29H31N3O5.C28H27F2N3O5.C28H28FN3O5.C27H23F4N3O5.C27H23F4N3O4.C25H29ClN2O5/c1-29(2,38-3)25-16-20(4-10-24(25)22-7-11-26(31)32-17-22)18-33-14-12-30(13-15-33)19-34(28(37)39-30)23-8-5-21(6-9-23)27(35)36;1-39-17-22-14-19(2-8-24(22)21-5-9-25(33-15-21)29(30,31)32)16-34-12-10-28(11-13-34)18-35(27(38)40-28)23-6-3-20(4-7-23)26(36)37;1-20-3-5-23(16-30-20)26-10-4-21(15-24(26)18-36-2)17-31-13-11-29(12-14-31)19-32(28(35)37-29)25-8-6-22(7-9-25)27(33)34;1-37-16-20-12-18(2-7-23(20)25-24(30)13-21(29)14-31-25)15-32-10-8-28(9-11-32)17-33(27(36)38-28)22-5-3-19(4-6-22)26(34)35;1-36-17-21-14-19(2-8-24(21)25-9-5-22(29)15-30-25)16-31-12-10-28(11-13-31)18-32(27(35)37-28)23-6-3-20(4-7-23)26(33)34;28-23-8-4-19(14-32-23)21-7-1-17(13-22(21)38-27(29,30)31)15-33-11-9-26(10-12-33)16-34(25(37)39-26)20-5-2-18(3-6-20)24(35)36;28-23-8-4-19(14-32-23)21-7-1-17(13-22(21)27(29,30)31)15-33-11-9-26(10-12-33)16-34(25(37)38-26)20-5-2-18(3-6-20)24(35)36;1-24(2,32-3)20-14-17(4-9-21(20)26)15-27-12-10-25(11-13-27)16-28(23(31)33-25)19-7-5-18(6-8-19)22(29)30/h4-11,16-17H,12-15,18-19H2,1-3H3,(H,35,36);2-9,14-15H,10-13,16-18H2,1H3,(H,36,37);3-10,15-16H,11-14,17-19H2,1-2H3,(H,33,34);2-7,12-14H,8-11,15-17H2,1H3,(H,34,35);2-9,14-15H,10-13,16-18H2,1H3,(H,33,34);1-8,13-14H,9-12,15-16H2,(H,35,36);1-8,13-14H,9-12,15-16H2,(H,35,36);4-9,14H,10-13,15-16H2,1-3H3,(H,29,30).
What are the key properties of 4-[8-[[4-chloro-3-(2-methoxypropan-2-yl)phenyl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[8-[[4-(3,5-difluoro-2-pyridinyl)-3-(methoxymethyl)phenyl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[8-[[4-(5-fluoro-2-pyridinyl)-3-(methoxymethyl)phenyl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[8-[[4-(6-fluoro-3-pyridinyl)-3-(2-methoxypropan-2-yl)phenyl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[8-[[4-(6-fluoro-3-pyridinyl)-3-(trifluoromethoxy)phenyl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[8-[[4-(6-fluoro-3-pyridinyl)-3-(trifluoromethyl)phenyl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[8-[[3-(methoxymethyl)-4-(6-methyl-3-pyridinyl)phenyl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[8-[[3-(methoxymethyl)-4-[6-(trifluoromethyl)-3-pyridinyl]phenyl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid?
4-[8-[[4-chloro-3-(2-methoxypropan-2-yl)phenyl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[8-[[4-(3,5-difluoro-2-pyridinyl)-3-(methoxymethyl)phenyl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[8-[[4-(5-fluoro-2-pyridinyl)-3-(methoxymethyl)phenyl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[8-[[4-(6-fluoro-3-pyridinyl)-3-(2-methoxypropan-2-yl)phenyl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[8-[[4-(6-fluoro-3-pyridinyl)-3-(trifluoromethoxy)phenyl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[8-[[4-(6-fluoro-3-pyridinyl)-3-(trifluoromethyl)phenyl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[8-[[3-(methoxymethyl)-4-(6-methyl-3-pyridinyl)phenyl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[8-[[3-(methoxymethyl)-4-[6-(trifluoromethyl)-3-pyridinyl]phenyl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid has a molecular weight of 4167.77 g/mol, XLogP of 41.52, 52 rotatable bonds, 8 hydrogen bond donors, and 46 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[8-[[4-chloro-3-(2-methoxypropan-2-yl)phenyl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[8-[[4-(3,5-difluoro-2-pyridinyl)-3-(methoxymethyl)phenyl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[8-[[4-(5-fluoro-2-pyridinyl)-3-(methoxymethyl)phenyl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[8-[[4-(6-fluoro-3-pyridinyl)-3-(2-methoxypropan-2-yl)phenyl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[8-[[4-(6-fluoro-3-pyridinyl)-3-(trifluoromethoxy)phenyl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[8-[[4-(6-fluoro-3-pyridinyl)-3-(trifluoromethyl)phenyl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[8-[[3-(methoxymethyl)-4-(6-methyl-3-pyridinyl)phenyl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[8-[[3-(methoxymethyl)-4-[6-(trifluoromethyl)-3-pyridinyl]phenyl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid is sourced from PubChem (CID 158879969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).