5-[4-[5-[3-[(1R,2S)-2-(4-fluorophenyl)-6-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]pentyl]piperazin-1-yl]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;5-[4-[5-[3-[(1R,2S)-2-(4-fluorophenyl)-6-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]pentyl]piperazin-1-yl]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;5-[4-[5-[3-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]pentyl]piperazin-1-yl]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;5-[4-[5-[3-[(1R,2S)-6-hydroxy-2-[4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]pentyl]piperazin-1-yl]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;5-[4-[5-[3-[(1R,2S)-6-hydroxy-2-[4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]pentyl]piperazin-1-yl]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one

C227H240F8N20O23 — CID 161340867

IUPAC5-[4-[5-[3-[(1R,2S)-2-(4-fluorophenyl)-6-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]pentyl]piperazin-1-yl]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;5-[4-[5-[3-[(1R,2S)-2-(4-fluorophenyl)-6-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]pentyl]piperazin-1-yl]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;5-[4-[5-[3-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]pentyl]piperazin-1-yl]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;5-[4-[5-[3-[(1R,2S)-6-hydroxy-2-[4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]pentyl]piperazin-1-yl]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;5-[4-[5-[3-[(1R,2S)-6-hydroxy-2-[4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]pentyl]piperazin-1-yl]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one
SMILESC=C1CCC(N2C(=O)c3ccc(N4CCN(CCCCCOc5cccc([C@@H]6c7ccc(O)cc7CC[C@@H]6c6ccc(C(F)(F)F)cc6)c5)CC4)cc3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3ccc(N4CCN(CCCCCOc5cccc([C@@H]6c7ccc(O)cc7CC[C@@H]6c6ccc(F)cc6)c5)CC4)cc3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3ccc(N4CCN(CCCCCOc5cccc([C@@H]6c7ccc(O)cc7CC[C@@H]6c6ccccc6)c5)CC4)cc3C2=O)C(=O)N1.C=C1CCC(N2Cc3cc(N4CCN(CCCCCOc5cccc([C@@H]6c7ccc(O)cc7CC[C@@H]6c6ccc(C(F)(F)F)cc6)c5)CC4)ccc3C2=O)C(=O)N1.C=C1CCC(N2Cc3cc(N4CCN(CCCCCOc5cccc([C@@H]6c7ccc(O)cc7CC[C@@H]6c6ccc(F)cc6)c5)CC4)ccc3C2=O)C(=O)N1
InChIInChI=1S/C46H47F3N4O5.C46H49F3N4O4.C45H47FN4O5.C45H49FN4O4.C45H48N4O5/c1-29-8-19-41(43(55)50-29)53-44(56)39-17-14-34(28-40(39)45(53)57)52-23-21-51(22-24-52)20-3-2-4-25-58-36-7-5-6-32(27-36)42-37(16-11-31-26-35(54)15-18-38(31)42)30-9-12-33(13-10-30)46(47,48)49;1-30-8-19-42(44(55)50-30)53-29-34-26-36(14-17-41(34)45(53)56)52-23-21-51(22-24-52)20-3-2-4-25-57-38-7-5-6-33(28-38)43-39(16-11-32-27-37(54)15-18-40(32)43)31-9-12-35(13-10-31)46(47,48)49;1-29-8-19-41(43(52)47-29)50-44(53)39-17-14-34(28-40(39)45(50)54)49-23-21-48(22-24-49)20-3-2-4-25-55-36-7-5-6-32(27-36)42-37(30-9-12-33(46)13-10-30)16-11-31-26-35(51)15-18-38(31)42;1-30-8-19-42(44(52)47-30)50-29-34-26-36(14-17-41(34)45(50)53)49-23-21-48(22-24-49)20-3-2-4-25-54-38-7-5-6-33(28-38)43-39(31-9-12-35(46)13-10-31)16-11-32-27-37(51)15-18-40(32)43;1-30-13-20-41(43(51)46-30)49-44(52)39-18-15-34(29-40(39)45(49)53)48-24-22-47(23-25-48)21-6-3-7-26-54-36-12-8-11-33(28-36)42-37(31-9-4-2-5-10-31)17-14-32-27-35(50)16-19-38(32)42/h5-7,9-10,12-15,17-18,26-28,37,41-42,54H,1-4,8,11,16,19-25H2,(H,50,55);5-7,9-10,12-15,17-18,26-28,39,42-43,54H,1-4,8,11,16,19-25,29H2,(H,50,55);5-7,9-10,12-15,17-18,26-28,37,41-42,51H,1-4,8,11,16,19-25H2,(H,47,52);5-7,9-10,12-15,17-18,26-28,39,42-43,51H,1-4,8,11,16,19-25,29H2,(H,47,52);2,4-5,8-12,15-16,18-19,27-29,37,41-42,50H,1,3,6-7,13-14,17,20-26H2,(H,46,51)/t37-,41?,42+;39-,42?,43+;37-,41?,42+;39-,42?,43+;37-,41?,42+/m11111/s1
InChIKeyVMQJGHIHUZGTAJ-SIKLQTQZSA-N
MW3768.52 g/mol
LogP38.10
Rot. Bonds55

About 5-[4-[5-[3-[(1R,2S)-2-(4-fluorophenyl)-6-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]pentyl]piperazin-1-yl]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;5-[4-[5-[3-[(1R,2S)-2-(4-fluorophenyl)-6-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]pentyl]piperazin-1-yl]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;5-[4-[5-[3-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]pentyl]piperazin-1-yl]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;5-[4-[5-[3-[(1R,2S)-6-hydroxy-2-[4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]pentyl]piperazin-1-yl]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;5-[4-[5-[3-[(1R,2S)-6-hydroxy-2-[4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]pentyl]piperazin-1-yl]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one

5-[4-[5-[3-[(1R,2S)-2-(4-fluorophenyl)-6-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]pentyl]piperazin-1-yl]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;5-[4-[5-[3-[(1R,2S)-2-(4-fluorophenyl)-6-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]pentyl]piperazin-1-yl]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;5-[4-[5-[3-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]pentyl]piperazin-1-yl]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;5-[4-[5-[3-[(1R,2S)-6-hydroxy-2-[4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]pentyl]piperazin-1-yl]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;5-[4-[5-[3-[(1R,2S)-6-hydroxy-2-[4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]pentyl]piperazin-1-yl]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one (PubChem CID 161340867) has the molecular formula C227H240F8N20O23 and a molecular weight of 3768.52 g/mol. Its IUPAC name is 5-[4-[5-[3-[(1R,2S)-2-(4-fluorophenyl)-6-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]pentyl]piperazin-1-yl]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;5-[4-[5-[3-[(1R,2S)-2-(4-fluorophenyl)-6-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]pentyl]piperazin-1-yl]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;5-[4-[5-[3-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]pentyl]piperazin-1-yl]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;5-[4-[5-[3-[(1R,2S)-6-hydroxy-2-[4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]pentyl]piperazin-1-yl]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;5-[4-[5-[3-[(1R,2S)-6-hydroxy-2-[4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]pentyl]piperazin-1-yl]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one.

Molecular Properties

Compound Name5-[4-[5-[3-[(1R,2S)-2-(4-fluorophenyl)-6-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]pentyl]piperazin-1-yl]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;5-[4-[5-[3-[(1R,2S)-2-(4-fluorophenyl)-6-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]pentyl]piperazin-1-yl]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;5-[4-[5-[3-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]pentyl]piperazin-1-yl]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;5-[4-[5-[3-[(1R,2S)-6-hydroxy-2-[4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]pentyl]piperazin-1-yl]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;5-[4-[5-[3-[(1R,2S)-6-hydroxy-2-[4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]pentyl]piperazin-1-yl]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one
PubChem CID161340867
Molecular FormulaC227H240F8N20O23
Molecular Weight3768.52 g/mol
Exact Mass3765.81
IUPAC Name5-[4-[5-[3-[(1R,2S)-2-(4-fluorophenyl)-6-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]pentyl]piperazin-1-yl]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;5-[4-[5-[3-[(1R,2S)-2-(4-fluorophenyl)-6-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]pentyl]piperazin-1-yl]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;5-[4-[5-[3-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]pentyl]piperazin-1-yl]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;5-[4-[5-[3-[(1R,2S)-6-hydroxy-2-[4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]pentyl]piperazin-1-yl]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;5-[4-[5-[3-[(1R,2S)-6-hydroxy-2-[4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]pentyl]piperazin-1-yl]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one
SMILESC=C1CCC(N2C(=O)c3ccc(N4CCN(CCCCCOc5cccc([C@@H]6c7ccc(O)cc7CC[C@@H]6c6ccc(C(F)(F)F)cc6)c5)CC4)cc3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3ccc(N4CCN(CCCCCOc5cccc([C@@H]6c7ccc(O)cc7CC[C@@H]6c6ccc(F)cc6)c5)CC4)cc3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3ccc(N4CCN(CCCCCOc5cccc([C@@H]6c7ccc(O)cc7CC[C@@H]6c6ccccc6)c5)CC4)cc3C2=O)C(=O)N1.C=C1CCC(N2Cc3cc(N4CCN(CCCCCOc5cccc([C@@H]6c7ccc(O)cc7CC[C@@H]6c6ccc(C(F)(F)F)cc6)c5)CC4)ccc3C2=O)C(=O)N1.C=C1CCC(N2Cc3cc(N4CCN(CCCCCOc5cccc([C@@H]6c7ccc(O)cc7CC[C@@H]6c6ccc(F)cc6)c5)CC4)ccc3C2=O)C(=O)N1
InChIInChI=1S/C46H47F3N4O5.C46H49F3N4O4.C45H47FN4O5.C45H49FN4O4.C45H48N4O5/c1-29-8-19-41(43(55)50-29)53-44(56)39-17-14-34(28-40(39)45(53)57)52-23-21-51(22-24-52)20-3-2-4-25-58-36-7-5-6-32(27-36)42-37(16-11-31-26-35(54)15-18-38(31)42)30-9-12-33(13-10-30)46(47,48)49;1-30-8-19-42(44(55)50-30)53-29-34-26-36(14-17-41(34)45(53)56)52-23-21-51(22-24-52)20-3-2-4-25-57-38-7-5-6-33(28-38)43-39(16-11-32-27-37(54)15-18-40(32)43)31-9-12-35(13-10-31)46(47,48)49;1-29-8-19-41(43(52)47-29)50-44(53)39-17-14-34(28-40(39)45(50)54)49-23-21-48(22-24-49)20-3-2-4-25-55-36-7-5-6-32(27-36)42-37(30-9-12-33(46)13-10-30)16-11-31-26-35(51)15-18-38(31)42;1-30-8-19-42(44(52)47-30)50-29-34-26-36(14-17-41(34)45(50)53)49-23-21-48(22-24-49)20-3-2-4-25-54-38-7-5-6-33(28-38)43-39(31-9-12-35(46)13-10-31)16-11-32-27-37(51)15-18-40(32)43;1-30-13-20-41(43(51)46-30)49-44(52)39-18-15-34(29-40(39)45(49)53)48-24-22-47(23-25-48)21-6-3-7-26-54-36-12-8-11-33(28-36)42-37(31-9-4-2-5-10-31)17-14-32-27-35(50)16-19-38(32)42/h5-7,9-10,12-15,17-18,26-28,37,41-42,54H,1-4,8,11,16,19-25H2,(H,50,55);5-7,9-10,12-15,17-18,26-28,39,42-43,54H,1-4,8,11,16,19-25,29H2,(H,50,55);5-7,9-10,12-15,17-18,26-28,37,41-42,51H,1-4,8,11,16,19-25H2,(H,47,52);5-7,9-10,12-15,17-18,26-28,39,42-43,51H,1-4,8,11,16,19-25,29H2,(H,47,52);2,4-5,8-12,15-16,18-19,27-29,37,41-42,50H,1,3,6-7,13-14,17,20-26H2,(H,46,51)/t37-,41?,42+;39-,42?,43+;37-,41?,42+;39-,42?,43+;37-,41?,42+/m11111/s1
InChIKeyVMQJGHIHUZGTAJ-SIKLQTQZSA-N
XLogP38.10
TPSA477.96 Ų
H-Bond Donors10
H-Bond Acceptors33
Rotatable Bonds55
Heavy Atoms278
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003768.52
LogP ≤ 538.10
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1033

Analyze 5-[4-[5-[3-[(1R,2S)-2-(4-fluorophenyl)-6-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]pentyl]piperazin-1-yl]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;5-[4-[5-[3-[(1R,2S)-2-(4-fluorophenyl)-6-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]pentyl]piperazin-1-yl]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;5-[4-[5-[3-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]pentyl]piperazin-1-yl]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;5-[4-[5-[3-[(1R,2S)-6-hydroxy-2-[4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]pentyl]piperazin-1-yl]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;5-[4-[5-[3-[(1R,2S)-6-hydroxy-2-[4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]pentyl]piperazin-1-yl]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one with MolForge

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

Launch Full Analysis

Related Compounds

3-[6-[4-[4,4-difluoro-5-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]pentyl]piperazin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 134579568
3-[6-[4-[4,4-difluoro-5-[4-[(1R,2S)-2-phenyl-6-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]pentyl]piperazin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 134579572
(3R)-3-[6-[4-[5-fluoro-5-[[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]methyl]-2,3,3a,4,6,6a-hexahydro-1H-pentalen-2-yl]piperazin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 134579832
2-(2,6-dioxopiperidin-3-yl)-5-[4-[5-[4-[(1R,2S)-2-(4-fluorophenyl)-6-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]piperazin-1-yl]isoindole-1,3-dione
CID 134580047
2-(2,6-Dioxopiperidin-3-yl)-5-[4-[2-[4-[4-[2-(4-fluorophenyl)-6-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]cyclohexyl]oxyethyl]piperazin-1-yl]isoindole-1,3-dione
CID 134580069
3-[6-[4-[[1-[4-[2-(4-fluorophenyl)-6-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]-4-hydroxypiperidin-4-yl]methyl]piperazin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 134580080
2-(2,6-dioxopiperidin-3-yl)-5-[4-[[(3S)-1-[2-[4-[(1R,2S)-2-(4-fluorophenyl)-6-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]ethyl]pyrrolidin-3-yl]methyl]piperazin-1-yl]isoindole-1,3-dione
CID 134582524
3-[6-[4-[[1-[4-[(1R)-2-(4-fluorophenyl)-6-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]-4-hydroxypiperidin-4-yl]methyl]piperazin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 134582546
3-[6-[4-[4,4-difluoro-5-[4-[(1S,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]cyclohexa-1,5-dien-1-yl]oxypentyl]piperazin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 134582696
2-(2,6-dioxopiperidin-3-yl)-5-[4-[5-[3-[(1R,2S)-2-(4-fluorophenyl)-6-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]pentyl]piperazin-1-yl]isoindole-1,3-dione
CID 134582903
3-[6-[4-[5-fluoro-5-[[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]methyl]-2,3,3a,4,6,6a-hexahydro-1H-pentalen-2-yl]piperazin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 134583036
3-[3-oxo-6-[4-[6,6,6-trifluoro-5-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]hexyl]piperazin-1-yl]-1H-isoindol-2-yl]piperidine-2,6-dione
CID 141635450

Frequently Asked Questions

What is the IUPAC name of 5-[4-[5-[3-[(1R,2S)-2-(4-fluorophenyl)-6-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]pentyl]piperazin-1-yl]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;5-[4-[5-[3-[(1R,2S)-2-(4-fluorophenyl)-6-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]pentyl]piperazin-1-yl]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;5-[4-[5-[3-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]pentyl]piperazin-1-yl]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;5-[4-[5-[3-[(1R,2S)-6-hydroxy-2-[4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]pentyl]piperazin-1-yl]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;5-[4-[5-[3-[(1R,2S)-6-hydroxy-2-[4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]pentyl]piperazin-1-yl]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one?
The IUPAC name of 5-[4-[5-[3-[(1R,2S)-2-(4-fluorophenyl)-6-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]pentyl]piperazin-1-yl]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;5-[4-[5-[3-[(1R,2S)-2-(4-fluorophenyl)-6-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]pentyl]piperazin-1-yl]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;5-[4-[5-[3-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]pentyl]piperazin-1-yl]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;5-[4-[5-[3-[(1R,2S)-6-hydroxy-2-[4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]pentyl]piperazin-1-yl]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;5-[4-[5-[3-[(1R,2S)-6-hydroxy-2-[4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]pentyl]piperazin-1-yl]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one (CID 161340867) is 5-[4-[5-[3-[(1R,2S)-2-(4-fluorophenyl)-6-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]pentyl]piperazin-1-yl]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;5-[4-[5-[3-[(1R,2S)-2-(4-fluorophenyl)-6-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]pentyl]piperazin-1-yl]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;5-[4-[5-[3-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]pentyl]piperazin-1-yl]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;5-[4-[5-[3-[(1R,2S)-6-hydroxy-2-[4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]pentyl]piperazin-1-yl]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;5-[4-[5-[3-[(1R,2S)-6-hydroxy-2-[4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]pentyl]piperazin-1-yl]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one.
What is the SMILES notation for 5-[4-[5-[3-[(1R,2S)-2-(4-fluorophenyl)-6-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]pentyl]piperazin-1-yl]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;5-[4-[5-[3-[(1R,2S)-2-(4-fluorophenyl)-6-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]pentyl]piperazin-1-yl]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;5-[4-[5-[3-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]pentyl]piperazin-1-yl]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;5-[4-[5-[3-[(1R,2S)-6-hydroxy-2-[4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]pentyl]piperazin-1-yl]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;5-[4-[5-[3-[(1R,2S)-6-hydroxy-2-[4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]pentyl]piperazin-1-yl]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one?
The canonical SMILES for 5-[4-[5-[3-[(1R,2S)-2-(4-fluorophenyl)-6-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]pentyl]piperazin-1-yl]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;5-[4-[5-[3-[(1R,2S)-2-(4-fluorophenyl)-6-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]pentyl]piperazin-1-yl]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;5-[4-[5-[3-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]pentyl]piperazin-1-yl]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;5-[4-[5-[3-[(1R,2S)-6-hydroxy-2-[4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]pentyl]piperazin-1-yl]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;5-[4-[5-[3-[(1R,2S)-6-hydroxy-2-[4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]pentyl]piperazin-1-yl]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one is C=C1CCC(N2C(=O)c3ccc(N4CCN(CCCCCOc5cccc([C@@H]6c7ccc(O)cc7CC[C@@H]6c6ccc(C(F)(F)F)cc6)c5)CC4)cc3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3ccc(N4CCN(CCCCCOc5cccc([C@@H]6c7ccc(O)cc7CC[C@@H]6c6ccc(F)cc6)c5)CC4)cc3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3ccc(N4CCN(CCCCCOc5cccc([C@@H]6c7ccc(O)cc7CC[C@@H]6c6ccccc6)c5)CC4)cc3C2=O)C(=O)N1.C=C1CCC(N2Cc3cc(N4CCN(CCCCCOc5cccc([C@@H]6c7ccc(O)cc7CC[C@@H]6c6ccc(C(F)(F)F)cc6)c5)CC4)ccc3C2=O)C(=O)N1.C=C1CCC(N2Cc3cc(N4CCN(CCCCCOc5cccc([C@@H]6c7ccc(O)cc7CC[C@@H]6c6ccc(F)cc6)c5)CC4)ccc3C2=O)C(=O)N1.
What is the InChIKey of 5-[4-[5-[3-[(1R,2S)-2-(4-fluorophenyl)-6-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]pentyl]piperazin-1-yl]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;5-[4-[5-[3-[(1R,2S)-2-(4-fluorophenyl)-6-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]pentyl]piperazin-1-yl]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;5-[4-[5-[3-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]pentyl]piperazin-1-yl]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;5-[4-[5-[3-[(1R,2S)-6-hydroxy-2-[4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]pentyl]piperazin-1-yl]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;5-[4-[5-[3-[(1R,2S)-6-hydroxy-2-[4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]pentyl]piperazin-1-yl]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one?
The InChIKey is VMQJGHIHUZGTAJ-SIKLQTQZSA-N. The full InChI is InChI=1S/C46H47F3N4O5.C46H49F3N4O4.C45H47FN4O5.C45H49FN4O4.C45H48N4O5/c1-29-8-19-41(43(55)50-29)53-44(56)39-17-14-34(28-40(39)45(53)57)52-23-21-51(22-24-52)20-3-2-4-25-58-36-7-5-6-32(27-36)42-37(16-11-31-26-35(54)15-18-38(31)42)30-9-12-33(13-10-30)46(47,48)49;1-30-8-19-42(44(55)50-30)53-29-34-26-36(14-17-41(34)45(53)56)52-23-21-51(22-24-52)20-3-2-4-25-57-38-7-5-6-33(28-38)43-39(16-11-32-27-37(54)15-18-40(32)43)31-9-12-35(13-10-31)46(47,48)49;1-29-8-19-41(43(52)47-29)50-44(53)39-17-14-34(28-40(39)45(50)54)49-23-21-48(22-24-49)20-3-2-4-25-55-36-7-5-6-32(27-36)42-37(30-9-12-33(46)13-10-30)16-11-31-26-35(51)15-18-38(31)42;1-30-8-19-42(44(52)47-30)50-29-34-26-36(14-17-41(34)45(50)53)49-23-21-48(22-24-49)20-3-2-4-25-54-38-7-5-6-33(28-38)43-39(31-9-12-35(46)13-10-31)16-11-32-27-37(51)15-18-40(32)43;1-30-13-20-41(43(51)46-30)49-44(52)39-18-15-34(29-40(39)45(49)53)48-24-22-47(23-25-48)21-6-3-7-26-54-36-12-8-11-33(28-36)42-37(31-9-4-2-5-10-31)17-14-32-27-35(50)16-19-38(32)42/h5-7,9-10,12-15,17-18,26-28,37,41-42,54H,1-4,8,11,16,19-25H2,(H,50,55);5-7,9-10,12-15,17-18,26-28,39,42-43,54H,1-4,8,11,16,19-25,29H2,(H,50,55);5-7,9-10,12-15,17-18,26-28,37,41-42,51H,1-4,8,11,16,19-25H2,(H,47,52);5-7,9-10,12-15,17-18,26-28,39,42-43,51H,1-4,8,11,16,19-25,29H2,(H,47,52);2,4-5,8-12,15-16,18-19,27-29,37,41-42,50H,1,3,6-7,13-14,17,20-26H2,(H,46,51)/t37-,41?,42+;39-,42?,43+;37-,41?,42+;39-,42?,43+;37-,41?,42+/m11111/s1.
What are the key properties of 5-[4-[5-[3-[(1R,2S)-2-(4-fluorophenyl)-6-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]pentyl]piperazin-1-yl]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;5-[4-[5-[3-[(1R,2S)-2-(4-fluorophenyl)-6-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]pentyl]piperazin-1-yl]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;5-[4-[5-[3-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]pentyl]piperazin-1-yl]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;5-[4-[5-[3-[(1R,2S)-6-hydroxy-2-[4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]pentyl]piperazin-1-yl]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;5-[4-[5-[3-[(1R,2S)-6-hydroxy-2-[4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]pentyl]piperazin-1-yl]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one?
5-[4-[5-[3-[(1R,2S)-2-(4-fluorophenyl)-6-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]pentyl]piperazin-1-yl]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;5-[4-[5-[3-[(1R,2S)-2-(4-fluorophenyl)-6-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]pentyl]piperazin-1-yl]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;5-[4-[5-[3-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]pentyl]piperazin-1-yl]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;5-[4-[5-[3-[(1R,2S)-6-hydroxy-2-[4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]pentyl]piperazin-1-yl]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;5-[4-[5-[3-[(1R,2S)-6-hydroxy-2-[4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]pentyl]piperazin-1-yl]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one has a molecular weight of 3768.52 g/mol, XLogP of 38.10, 55 rotatable bonds, 10 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[5-[3-[(1R,2S)-2-(4-fluorophenyl)-6-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]pentyl]piperazin-1-yl]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;5-[4-[5-[3-[(1R,2S)-2-(4-fluorophenyl)-6-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]pentyl]piperazin-1-yl]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;5-[4-[5-[3-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]pentyl]piperazin-1-yl]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;5-[4-[5-[3-[(1R,2S)-6-hydroxy-2-[4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]pentyl]piperazin-1-yl]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;5-[4-[5-[3-[(1R,2S)-6-hydroxy-2-[4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]pentyl]piperazin-1-yl]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one is sourced from PubChem (CID 161340867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).