5-[6-[4-[4-[(1S,2R)-2-(4-fluorophenyl)-6-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]butyl]-2,6-diazaspiro[3.3]heptan-2-yl]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;5-[2-[4-[6-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]-3-pyridinyl]piperazin-1-yl]ethoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;5-[2-[4-[6-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]-3-pyridinyl]piperazin-1-yl]ethoxy]-2-[(3S)-6-methylidene-2-oxopiperidin-3-yl]-3H-isoindol-1-one;5-[3-[4-[6-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]-3-pyridinyl]piperazin-1-yl]propoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;5-[3-[4-[6-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]-3-pyridinyl]piperazin-1-yl]propoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one

C235H233FN24O27 — CID 161056529

IUPAC5-[6-[4-[4-[(1S,2R)-2-(4-fluorophenyl)-6-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]butyl]-2,6-diazaspiro[3.3]heptan-2-yl]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;5-[2-[4-[6-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]-3-pyridinyl]piperazin-1-yl]ethoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;5-[2-[4-[6-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]-3-pyridinyl]piperazin-1-yl]ethoxy]-2-[(3S)-6-methylidene-2-oxopiperidin-3-yl]-3H-isoindol-1-one;5-[3-[4-[6-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]-3-pyridinyl]piperazin-1-yl]propoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;5-[3-[4-[6-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]-3-pyridinyl]piperazin-1-yl]propoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one
SMILESC=C1CCC(N2C(=O)c3ccc(N4CC5(CN(CCCCOc6ccc([C@H]7c8ccc(O)cc8CC[C@H]7c7ccc(F)cc7)cc6)C5)C4)cc3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3ccc(OCCCN4CCN(c5ccc(Oc6ccc([C@@H]7c8ccc(O)cc8CC[C@@H]7c7ccccc7)cc6)nc5)CC4)cc3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3ccc(OCCN4CCN(c5ccc(Oc6ccc([C@@H]7c8ccc(O)cc8CC[C@@H]7c7ccccc7)cc6)nc5)CC4)cc3C2=O)C(=O)N1.C=C1CCC(N2Cc3cc(OCCCN4CCN(c5ccc(Oc6ccc([C@@H]7c8ccc(O)cc8CC[C@@H]7c7ccccc7)cc6)nc5)CC4)ccc3C2=O)C(=O)N1.C=C1CC[C@H](N2Cc3cc(OCCN4CCN(c5ccc(Oc6ccc([C@@H]7c8ccc(O)cc8CC[C@@H]7c7ccccc7)cc6)nc5)CC4)ccc3C2=O)C(=O)N1
InChIInChI=1S/C48H47N5O6.C48H49N5O5.C47H45N5O6.C47H47N5O5.C45H45FN4O5/c1-31-8-20-43(46(55)50-31)53-47(56)41-19-16-38(29-42(41)48(53)57)58-27-5-22-51-23-25-52(26-24-51)35-12-21-44(49-30-35)59-37-14-9-33(10-15-37)45-39(32-6-3-2-4-7-32)17-11-34-28-36(54)13-18-40(34)45;1-32-8-20-44(47(55)50-32)53-31-36-29-40(16-19-43(36)48(53)56)57-27-5-22-51-23-25-52(26-24-51)37-12-21-45(49-30-37)58-39-14-9-34(10-15-39)46-41(33-6-3-2-4-7-33)17-11-35-28-38(54)13-18-42(35)46;1-30-7-19-42(45(54)49-30)52-46(55)40-18-15-37(28-41(40)47(52)56)57-26-25-50-21-23-51(24-22-50)34-11-20-43(48-29-34)58-36-13-8-32(9-14-36)44-38(31-5-3-2-4-6-31)16-10-33-27-35(53)12-17-39(33)44;1-31-7-19-43(46(54)49-31)52-30-35-28-39(15-18-42(35)47(52)55)56-26-25-50-21-23-51(24-22-50)36-11-20-44(48-29-36)57-38-13-8-33(9-14-38)45-40(32-5-3-2-4-6-32)16-10-34-27-37(53)12-17-41(34)45;1-28-4-19-40(42(52)47-28)50-43(53)38-17-12-33(23-39(38)44(50)54)49-26-45(27-49)24-48(25-45)20-2-3-21-55-35-14-7-30(8-15-35)41-36(29-5-10-32(46)11-6-29)16-9-31-22-34(51)13-18-37(31)41/h2-4,6-7,9-10,12-16,18-19,21,28-30,39,43,45,54H,1,5,8,11,17,20,22-27H2,(H,50,55);2-4,6-7,9-10,12-16,18-19,21,28-30,41,44,46,54H,1,5,8,11,17,20,22-27,31H2,(H,50,55);2-6,8-9,11-15,17-18,20,27-29,38,42,44,53H,1,7,10,16,19,21-26H2,(H,49,54);2-6,8-9,11-15,17-18,20,27-29,40,43,45,53H,1,7,10,16,19,21-26,30H2,(H,49,54);5-8,10-15,17-18,22-23,36,40-41,51H,1-4,9,16,19-21,24-27H2,(H,47,52)/t39-,43?,45+;41-,44?,46+;38-,42?,44+;40-,43+,45+;36-,40?,41+/m11110/s1
InChIKeyUCVFWZQTKOGFGC-XNTZGOODSA-N
MW3844.59 g/mol
LogP36.39
Rot. Bonds52

About 5-[6-[4-[4-[(1S,2R)-2-(4-fluorophenyl)-6-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]butyl]-2,6-diazaspiro[3.3]heptan-2-yl]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;5-[2-[4-[6-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]-3-pyridinyl]piperazin-1-yl]ethoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;5-[2-[4-[6-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]-3-pyridinyl]piperazin-1-yl]ethoxy]-2-[(3S)-6-methylidene-2-oxopiperidin-3-yl]-3H-isoindol-1-one;5-[3-[4-[6-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]-3-pyridinyl]piperazin-1-yl]propoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;5-[3-[4-[6-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]-3-pyridinyl]piperazin-1-yl]propoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one

5-[6-[4-[4-[(1S,2R)-2-(4-fluorophenyl)-6-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]butyl]-2,6-diazaspiro[3.3]heptan-2-yl]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;5-[2-[4-[6-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]-3-pyridinyl]piperazin-1-yl]ethoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;5-[2-[4-[6-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]-3-pyridinyl]piperazin-1-yl]ethoxy]-2-[(3S)-6-methylidene-2-oxopiperidin-3-yl]-3H-isoindol-1-one;5-[3-[4-[6-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]-3-pyridinyl]piperazin-1-yl]propoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;5-[3-[4-[6-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]-3-pyridinyl]piperazin-1-yl]propoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one (PubChem CID 161056529) has the molecular formula C235H233FN24O27 and a molecular weight of 3844.59 g/mol. Its IUPAC name is 5-[6-[4-[4-[(1S,2R)-2-(4-fluorophenyl)-6-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]butyl]-2,6-diazaspiro[3.3]heptan-2-yl]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;5-[2-[4-[6-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]-3-pyridinyl]piperazin-1-yl]ethoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;5-[2-[4-[6-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]-3-pyridinyl]piperazin-1-yl]ethoxy]-2-[(3S)-6-methylidene-2-oxopiperidin-3-yl]-3H-isoindol-1-one;5-[3-[4-[6-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]-3-pyridinyl]piperazin-1-yl]propoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;5-[3-[4-[6-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]-3-pyridinyl]piperazin-1-yl]propoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one.

Molecular Properties

Compound Name5-[6-[4-[4-[(1S,2R)-2-(4-fluorophenyl)-6-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]butyl]-2,6-diazaspiro[3.3]heptan-2-yl]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;5-[2-[4-[6-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]-3-pyridinyl]piperazin-1-yl]ethoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;5-[2-[4-[6-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]-3-pyridinyl]piperazin-1-yl]ethoxy]-2-[(3S)-6-methylidene-2-oxopiperidin-3-yl]-3H-isoindol-1-one;5-[3-[4-[6-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]-3-pyridinyl]piperazin-1-yl]propoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;5-[3-[4-[6-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]-3-pyridinyl]piperazin-1-yl]propoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one
PubChem CID161056529
Molecular FormulaC235H233FN24O27
Molecular Weight3844.59 g/mol
Exact Mass3841.76
IUPAC Name5-[6-[4-[4-[(1S,2R)-2-(4-fluorophenyl)-6-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]butyl]-2,6-diazaspiro[3.3]heptan-2-yl]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;5-[2-[4-[6-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]-3-pyridinyl]piperazin-1-yl]ethoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;5-[2-[4-[6-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]-3-pyridinyl]piperazin-1-yl]ethoxy]-2-[(3S)-6-methylidene-2-oxopiperidin-3-yl]-3H-isoindol-1-one;5-[3-[4-[6-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]-3-pyridinyl]piperazin-1-yl]propoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;5-[3-[4-[6-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]-3-pyridinyl]piperazin-1-yl]propoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one
SMILESC=C1CCC(N2C(=O)c3ccc(N4CC5(CN(CCCCOc6ccc([C@H]7c8ccc(O)cc8CC[C@H]7c7ccc(F)cc7)cc6)C5)C4)cc3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3ccc(OCCCN4CCN(c5ccc(Oc6ccc([C@@H]7c8ccc(O)cc8CC[C@@H]7c7ccccc7)cc6)nc5)CC4)cc3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3ccc(OCCN4CCN(c5ccc(Oc6ccc([C@@H]7c8ccc(O)cc8CC[C@@H]7c7ccccc7)cc6)nc5)CC4)cc3C2=O)C(=O)N1.C=C1CCC(N2Cc3cc(OCCCN4CCN(c5ccc(Oc6ccc([C@@H]7c8ccc(O)cc8CC[C@@H]7c7ccccc7)cc6)nc5)CC4)ccc3C2=O)C(=O)N1.C=C1CC[C@H](N2Cc3cc(OCCN4CCN(c5ccc(Oc6ccc([C@@H]7c8ccc(O)cc8CC[C@@H]7c7ccccc7)cc6)nc5)CC4)ccc3C2=O)C(=O)N1
InChIInChI=1S/C48H47N5O6.C48H49N5O5.C47H45N5O6.C47H47N5O5.C45H45FN4O5/c1-31-8-20-43(46(55)50-31)53-47(56)41-19-16-38(29-42(41)48(53)57)58-27-5-22-51-23-25-52(26-24-51)35-12-21-44(49-30-35)59-37-14-9-33(10-15-37)45-39(32-6-3-2-4-7-32)17-11-34-28-36(54)13-18-40(34)45;1-32-8-20-44(47(55)50-32)53-31-36-29-40(16-19-43(36)48(53)56)57-27-5-22-51-23-25-52(26-24-51)37-12-21-45(49-30-37)58-39-14-9-34(10-15-39)46-41(33-6-3-2-4-7-33)17-11-35-28-38(54)13-18-42(35)46;1-30-7-19-42(45(54)49-30)52-46(55)40-18-15-37(28-41(40)47(52)56)57-26-25-50-21-23-51(24-22-50)34-11-20-43(48-29-34)58-36-13-8-32(9-14-36)44-38(31-5-3-2-4-6-31)16-10-33-27-35(53)12-17-39(33)44;1-31-7-19-43(46(54)49-31)52-30-35-28-39(15-18-42(35)47(52)55)56-26-25-50-21-23-51(24-22-50)36-11-20-44(48-29-36)57-38-13-8-33(9-14-38)45-40(32-5-3-2-4-6-32)16-10-34-27-37(53)12-17-41(34)45;1-28-4-19-40(42(52)47-28)50-43(53)38-17-12-33(23-39(38)44(50)54)49-26-45(27-49)24-48(25-45)20-2-3-21-55-35-14-7-30(8-15-35)41-36(29-5-10-32(46)11-6-29)16-9-31-22-34(51)13-18-37(31)41/h2-4,6-7,9-10,12-16,18-19,21,28-30,39,43,45,54H,1,5,8,11,17,20,22-27H2,(H,50,55);2-4,6-7,9-10,12-16,18-19,21,28-30,41,44,46,54H,1,5,8,11,17,20,22-27,31H2,(H,50,55);2-6,8-9,11-15,17-18,20,27-29,38,42,44,53H,1,7,10,16,19,21-26H2,(H,49,54);2-6,8-9,11-15,17-18,20,27-29,40,43,45,53H,1,7,10,16,19,21-26,30H2,(H,49,54);5-8,10-15,17-18,22-23,36,40-41,51H,1-4,9,16,19-21,24-27H2,(H,47,52)/t39-,43?,45+;41-,44?,46+;38-,42?,44+;40-,43+,45+;36-,40?,41+/m11110/s1
InChIKeyUCVFWZQTKOGFGC-XNTZGOODSA-N
XLogP36.39
TPSA566.44 Ų
H-Bond Donors10
H-Bond Acceptors41
Rotatable Bonds52
Heavy Atoms287
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003844.59
LogP ≤ 536.39
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1041

Analyze 5-[6-[4-[4-[(1S,2R)-2-(4-fluorophenyl)-6-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]butyl]-2,6-diazaspiro[3.3]heptan-2-yl]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;5-[2-[4-[6-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]-3-pyridinyl]piperazin-1-yl]ethoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;5-[2-[4-[6-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]-3-pyridinyl]piperazin-1-yl]ethoxy]-2-[(3S)-6-methylidene-2-oxopiperidin-3-yl]-3H-isoindol-1-one;5-[3-[4-[6-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]-3-pyridinyl]piperazin-1-yl]propoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;5-[3-[4-[6-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]-3-pyridinyl]piperazin-1-yl]propoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one with MolForge

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Related Compounds

5-[4-[5-[4-[(1S,2R)-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
CID 159260005
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)-3H-isoindol-1-one
CID 160809382
5-[4-[5-[4-[(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
CID 161004298
5-[2-[4-[2-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]ethyl]piperazin-1-yl]pyrimidin-5-yl]oxy-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione
CID 159381888
5-[4-[[1-[2-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]ethyl]azetidin-3-yl]methyl]piperazin-1-yl]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione
CID 162070840
5-[4-[3-hydroxy-5-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]-3-methylpentyl]piperazin-1-yl]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one
CID 158634606
2-[4-[2-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]ethyl]piperazin-1-yl]-N-[[2-(6-methylidene-2-oxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methyl]acetamide
CID 161077106
(3S)-3-[6-[2-[[2-[2-[4-[(1S,2R)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]ethyl]-2-azaspiro[3.3]heptan-6-yl]oxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;5-[5-[4-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]piperazin-1-yl]pentyl]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;5-[5-[4-[4-[(1S,2R)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]piperazin-1-yl]pentyl]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;5-[4-[2-[4-[4-[(1R,2S)-6-hydroxy-2-[4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]cyclohexyl]oxyethyl]piperazin-1-yl]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one
CID 157069857
3-[6-[4-[4,4-difluoro-5-[4-(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 146606145
5-[2-[2-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]ethoxy]ethoxy]-2-[(3S)-6-methylidene-2-oxopiperidin-3-yl]-3H-isoindol-1-one
CID 158149301
5-[2-[2-[4-[(1S,2R)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]ethoxy]ethoxy]-2-[(3S)-6-methylidene-2-oxopiperidin-3-yl]-3H-isoindol-1-one
CID 158149300
5-[2-[4-[2-[4-[(1S,2R)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]ethyl]-1,4-diazepan-1-yl]ethyl]-2-[(3S)-6-methylidene-2-oxopiperidin-3-yl]-3H-isoindol-1-one
CID 159324259

Frequently Asked Questions

What is the IUPAC name of 5-[6-[4-[4-[(1S,2R)-2-(4-fluorophenyl)-6-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]butyl]-2,6-diazaspiro[3.3]heptan-2-yl]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;5-[2-[4-[6-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]-3-pyridinyl]piperazin-1-yl]ethoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;5-[2-[4-[6-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]-3-pyridinyl]piperazin-1-yl]ethoxy]-2-[(3S)-6-methylidene-2-oxopiperidin-3-yl]-3H-isoindol-1-one;5-[3-[4-[6-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]-3-pyridinyl]piperazin-1-yl]propoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;5-[3-[4-[6-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]-3-pyridinyl]piperazin-1-yl]propoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one?
The IUPAC name of 5-[6-[4-[4-[(1S,2R)-2-(4-fluorophenyl)-6-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]butyl]-2,6-diazaspiro[3.3]heptan-2-yl]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;5-[2-[4-[6-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]-3-pyridinyl]piperazin-1-yl]ethoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;5-[2-[4-[6-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]-3-pyridinyl]piperazin-1-yl]ethoxy]-2-[(3S)-6-methylidene-2-oxopiperidin-3-yl]-3H-isoindol-1-one;5-[3-[4-[6-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]-3-pyridinyl]piperazin-1-yl]propoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;5-[3-[4-[6-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]-3-pyridinyl]piperazin-1-yl]propoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one (CID 161056529) is 5-[6-[4-[4-[(1S,2R)-2-(4-fluorophenyl)-6-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]butyl]-2,6-diazaspiro[3.3]heptan-2-yl]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;5-[2-[4-[6-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]-3-pyridinyl]piperazin-1-yl]ethoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;5-[2-[4-[6-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]-3-pyridinyl]piperazin-1-yl]ethoxy]-2-[(3S)-6-methylidene-2-oxopiperidin-3-yl]-3H-isoindol-1-one;5-[3-[4-[6-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]-3-pyridinyl]piperazin-1-yl]propoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;5-[3-[4-[6-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]-3-pyridinyl]piperazin-1-yl]propoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one.
What is the SMILES notation for 5-[6-[4-[4-[(1S,2R)-2-(4-fluorophenyl)-6-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]butyl]-2,6-diazaspiro[3.3]heptan-2-yl]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;5-[2-[4-[6-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]-3-pyridinyl]piperazin-1-yl]ethoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;5-[2-[4-[6-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]-3-pyridinyl]piperazin-1-yl]ethoxy]-2-[(3S)-6-methylidene-2-oxopiperidin-3-yl]-3H-isoindol-1-one;5-[3-[4-[6-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]-3-pyridinyl]piperazin-1-yl]propoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;5-[3-[4-[6-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]-3-pyridinyl]piperazin-1-yl]propoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one?
The canonical SMILES for 5-[6-[4-[4-[(1S,2R)-2-(4-fluorophenyl)-6-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]butyl]-2,6-diazaspiro[3.3]heptan-2-yl]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;5-[2-[4-[6-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]-3-pyridinyl]piperazin-1-yl]ethoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;5-[2-[4-[6-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]-3-pyridinyl]piperazin-1-yl]ethoxy]-2-[(3S)-6-methylidene-2-oxopiperidin-3-yl]-3H-isoindol-1-one;5-[3-[4-[6-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]-3-pyridinyl]piperazin-1-yl]propoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;5-[3-[4-[6-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]-3-pyridinyl]piperazin-1-yl]propoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one is C=C1CCC(N2C(=O)c3ccc(N4CC5(CN(CCCCOc6ccc([C@H]7c8ccc(O)cc8CC[C@H]7c7ccc(F)cc7)cc6)C5)C4)cc3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3ccc(OCCCN4CCN(c5ccc(Oc6ccc([C@@H]7c8ccc(O)cc8CC[C@@H]7c7ccccc7)cc6)nc5)CC4)cc3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3ccc(OCCN4CCN(c5ccc(Oc6ccc([C@@H]7c8ccc(O)cc8CC[C@@H]7c7ccccc7)cc6)nc5)CC4)cc3C2=O)C(=O)N1.C=C1CCC(N2Cc3cc(OCCCN4CCN(c5ccc(Oc6ccc([C@@H]7c8ccc(O)cc8CC[C@@H]7c7ccccc7)cc6)nc5)CC4)ccc3C2=O)C(=O)N1.C=C1CC[C@H](N2Cc3cc(OCCN4CCN(c5ccc(Oc6ccc([C@@H]7c8ccc(O)cc8CC[C@@H]7c7ccccc7)cc6)nc5)CC4)ccc3C2=O)C(=O)N1.
What is the InChIKey of 5-[6-[4-[4-[(1S,2R)-2-(4-fluorophenyl)-6-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]butyl]-2,6-diazaspiro[3.3]heptan-2-yl]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;5-[2-[4-[6-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]-3-pyridinyl]piperazin-1-yl]ethoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;5-[2-[4-[6-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]-3-pyridinyl]piperazin-1-yl]ethoxy]-2-[(3S)-6-methylidene-2-oxopiperidin-3-yl]-3H-isoindol-1-one;5-[3-[4-[6-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]-3-pyridinyl]piperazin-1-yl]propoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;5-[3-[4-[6-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]-3-pyridinyl]piperazin-1-yl]propoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one?
The InChIKey is UCVFWZQTKOGFGC-XNTZGOODSA-N. The full InChI is InChI=1S/C48H47N5O6.C48H49N5O5.C47H45N5O6.C47H47N5O5.C45H45FN4O5/c1-31-8-20-43(46(55)50-31)53-47(56)41-19-16-38(29-42(41)48(53)57)58-27-5-22-51-23-25-52(26-24-51)35-12-21-44(49-30-35)59-37-14-9-33(10-15-37)45-39(32-6-3-2-4-7-32)17-11-34-28-36(54)13-18-40(34)45;1-32-8-20-44(47(55)50-32)53-31-36-29-40(16-19-43(36)48(53)56)57-27-5-22-51-23-25-52(26-24-51)37-12-21-45(49-30-37)58-39-14-9-34(10-15-39)46-41(33-6-3-2-4-7-33)17-11-35-28-38(54)13-18-42(35)46;1-30-7-19-42(45(54)49-30)52-46(55)40-18-15-37(28-41(40)47(52)56)57-26-25-50-21-23-51(24-22-50)34-11-20-43(48-29-34)58-36-13-8-32(9-14-36)44-38(31-5-3-2-4-6-31)16-10-33-27-35(53)12-17-39(33)44;1-31-7-19-43(46(54)49-31)52-30-35-28-39(15-18-42(35)47(52)55)56-26-25-50-21-23-51(24-22-50)36-11-20-44(48-29-36)57-38-13-8-33(9-14-38)45-40(32-5-3-2-4-6-32)16-10-34-27-37(53)12-17-41(34)45;1-28-4-19-40(42(52)47-28)50-43(53)38-17-12-33(23-39(38)44(50)54)49-26-45(27-49)24-48(25-45)20-2-3-21-55-35-14-7-30(8-15-35)41-36(29-5-10-32(46)11-6-29)16-9-31-22-34(51)13-18-37(31)41/h2-4,6-7,9-10,12-16,18-19,21,28-30,39,43,45,54H,1,5,8,11,17,20,22-27H2,(H,50,55);2-4,6-7,9-10,12-16,18-19,21,28-30,41,44,46,54H,1,5,8,11,17,20,22-27,31H2,(H,50,55);2-6,8-9,11-15,17-18,20,27-29,38,42,44,53H,1,7,10,16,19,21-26H2,(H,49,54);2-6,8-9,11-15,17-18,20,27-29,40,43,45,53H,1,7,10,16,19,21-26,30H2,(H,49,54);5-8,10-15,17-18,22-23,36,40-41,51H,1-4,9,16,19-21,24-27H2,(H,47,52)/t39-,43?,45+;41-,44?,46+;38-,42?,44+;40-,43+,45+;36-,40?,41+/m11110/s1.
What are the key properties of 5-[6-[4-[4-[(1S,2R)-2-(4-fluorophenyl)-6-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]butyl]-2,6-diazaspiro[3.3]heptan-2-yl]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;5-[2-[4-[6-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]-3-pyridinyl]piperazin-1-yl]ethoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;5-[2-[4-[6-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]-3-pyridinyl]piperazin-1-yl]ethoxy]-2-[(3S)-6-methylidene-2-oxopiperidin-3-yl]-3H-isoindol-1-one;5-[3-[4-[6-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]-3-pyridinyl]piperazin-1-yl]propoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;5-[3-[4-[6-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]-3-pyridinyl]piperazin-1-yl]propoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one?
5-[6-[4-[4-[(1S,2R)-2-(4-fluorophenyl)-6-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]butyl]-2,6-diazaspiro[3.3]heptan-2-yl]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;5-[2-[4-[6-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]-3-pyridinyl]piperazin-1-yl]ethoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;5-[2-[4-[6-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]-3-pyridinyl]piperazin-1-yl]ethoxy]-2-[(3S)-6-methylidene-2-oxopiperidin-3-yl]-3H-isoindol-1-one;5-[3-[4-[6-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]-3-pyridinyl]piperazin-1-yl]propoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;5-[3-[4-[6-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]-3-pyridinyl]piperazin-1-yl]propoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one has a molecular weight of 3844.59 g/mol, XLogP of 36.39, 52 rotatable bonds, 10 hydrogen bond donors, and 41 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-[4-[4-[(1S,2R)-2-(4-fluorophenyl)-6-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]butyl]-2,6-diazaspiro[3.3]heptan-2-yl]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;5-[2-[4-[6-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]-3-pyridinyl]piperazin-1-yl]ethoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;5-[2-[4-[6-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]-3-pyridinyl]piperazin-1-yl]ethoxy]-2-[(3S)-6-methylidene-2-oxopiperidin-3-yl]-3H-isoindol-1-one;5-[3-[4-[6-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]-3-pyridinyl]piperazin-1-yl]propoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;5-[3-[4-[6-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]-3-pyridinyl]piperazin-1-yl]propoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one is sourced from PubChem (CID 161056529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).