3-(1,3-benzodioxol-5-ylmethylidene)-6-[(5-phenylmethoxy-2-pyridinyl)methylidene]piperazine-2,5-dione;3-[(3-chlorophenyl)methylidene]-6-[(5-phenylmethoxy-2-pyridinyl)methylidene]piperazine-2,5-dione;3-[(3,4-dichlorophenyl)methylidene]-6-[(5-phenylmethoxy-2-pyridinyl)methylidene]piperazine-2,5-dione;3-[(3,5-dihydroxyphenyl)methylidene]-6-[(5-phenylmethoxy-2-pyridinyl)methylidene]piperazine-2,5-dione;3-[(3,5-dimethoxyphenyl)methylidene]-6-[(5-phenylmethoxy-2-pyridinyl)methylidene]piperazine-2,5-dione;3-[(3-hydroxyphenyl)methylidene]-6-[(5-phenylmethoxy-2-pyridinyl)methylidene]piperazine-2,5-dione;3-[(2-nitrophenyl)methylidene]-6-[(5-phenylmethoxy-2-pyridinyl)methylidene]piperazine-2,5-dione;3-[(4-nitrophenyl)methylidene]-6-[(5-phenylmethoxy-2-pyridinyl)methylidene]piperazine-2,5-dione

C195H151Cl3N26O35 — CID 161460824

IUPAC3-(1,3-benzodioxol-5-ylmethylidene)-6-[(5-phenylmethoxy-2-pyridinyl)methylidene]piperazine-2,5-dione;3-[(3-chlorophenyl)methylidene]-6-[(5-phenylmethoxy-2-pyridinyl)methylidene]piperazine-2,5-dione;3-[(3,4-dichlorophenyl)methylidene]-6-[(5-phenylmethoxy-2-pyridinyl)methylidene]piperazine-2,5-dione;3-[(3,5-dihydroxyphenyl)methylidene]-6-[(5-phenylmethoxy-2-pyridinyl)methylidene]piperazine-2,5-dione;3-[(3,5-dimethoxyphenyl)methylidene]-6-[(5-phenylmethoxy-2-pyridinyl)methylidene]piperazine-2,5-dione;3-[(3-hydroxyphenyl)methylidene]-6-[(5-phenylmethoxy-2-pyridinyl)methylidene]piperazine-2,5-dione;3-[(2-nitrophenyl)methylidene]-6-[(5-phenylmethoxy-2-pyridinyl)methylidene]piperazine-2,5-dione;3-[(4-nitrophenyl)methylidene]-6-[(5-phenylmethoxy-2-pyridinyl)methylidene]piperazine-2,5-dione
SMILESCOc1cc(C=c2[nH]c(=O)c(=Cc3ccc(OCc4ccccc4)cn3)[nH]c2=O)cc(OC)c1.O=c1[nH]c(=Cc2ccc(OCc3ccccc3)cn2)c(=O)[nH]c1=Cc1cc(O)cc(O)c1.O=c1[nH]c(=Cc2ccc(OCc3ccccc3)cn2)c(=O)[nH]c1=Cc1ccc(Cl)c(Cl)c1.O=c1[nH]c(=Cc2ccc(OCc3ccccc3)cn2)c(=O)[nH]c1=Cc1ccc([N+](=O)[O-])cc1.O=c1[nH]c(=Cc2ccc(OCc3ccccc3)cn2)c(=O)[nH]c1=Cc1ccc2c(c1)OCO2.O=c1[nH]c(=Cc2ccc(OCc3ccccc3)cn2)c(=O)[nH]c1=Cc1cccc(Cl)c1.O=c1[nH]c(=Cc2ccc(OCc3ccccc3)cn2)c(=O)[nH]c1=Cc1cccc(O)c1.O=c1[nH]c(=Cc2ccccc2[N+](=O)[O-])c(=O)[nH]c1=Cc1ccc(OCc2ccccc2)cn1
InChIInChI=1S/C26H23N3O5.C25H19N3O5.C24H17Cl2N3O3.C24H18ClN3O3.2C24H18N4O5.C24H19N3O5.C24H19N3O4/c1-32-21-10-18(11-22(14-21)33-2)12-23-25(30)29-24(26(31)28-23)13-19-8-9-20(15-27-19)34-16-17-6-4-3-5-7-17;29-24-20(10-17-6-9-22-23(11-17)33-15-32-22)27-25(30)21(28-24)12-18-7-8-19(13-26-18)31-14-16-4-2-1-3-5-16;25-19-9-6-16(10-20(19)26)11-21-23(30)29-22(24(31)28-21)12-17-7-8-18(13-27-17)32-14-15-4-2-1-3-5-15;25-18-8-4-7-17(11-18)12-21-23(29)28-22(24(30)27-21)13-19-9-10-20(14-26-19)31-15-16-5-2-1-3-6-16;29-23-20(12-17-8-4-5-9-22(17)28(31)32)26-24(30)21(27-23)13-18-10-11-19(14-25-18)33-15-16-6-2-1-3-7-16;29-23-21(12-16-6-9-19(10-7-16)28(31)32)26-24(30)22(27-23)13-18-8-11-20(14-25-18)33-15-17-4-2-1-3-5-17;28-18-8-16(9-19(29)12-18)10-21-23(30)27-22(24(31)26-21)11-17-6-7-20(13-25-17)32-14-15-4-2-1-3-5-15;28-19-8-4-7-17(11-19)12-21-23(29)27-22(24(30)26-21)13-18-9-10-20(14-25-18)31-15-16-5-2-1-3-6-16/h3-15H,16H2,1-2H3,(H,28,31)(H,29,30);1-13H,14-15H2,(H,27,30)(H,28,29);1-13H,14H2,(H,28,31)(H,29,30);1-14H,15H2,(H,27,30)(H,28,29);2*1-14H,15H2,(H,26,30)(H,27,29);1-13,28-29H,14H2,(H,26,31)(H,27,30);1-14,28H,15H2,(H,26,30)(H,27,29)
InChIKeyWBTZAUHFVOIGPT-UHFFFAOYSA-N
MW3524.86 g/mol
LogP14.20
Rot. Bonds44

About 3-(1,3-benzodioxol-5-ylmethylidene)-6-[(5-phenylmethoxy-2-pyridinyl)methylidene]piperazine-2,5-dione;3-[(3-chlorophenyl)methylidene]-6-[(5-phenylmethoxy-2-pyridinyl)methylidene]piperazine-2,5-dione;3-[(3,4-dichlorophenyl)methylidene]-6-[(5-phenylmethoxy-2-pyridinyl)methylidene]piperazine-2,5-dione;3-[(3,5-dihydroxyphenyl)methylidene]-6-[(5-phenylmethoxy-2-pyridinyl)methylidene]piperazine-2,5-dione;3-[(3,5-dimethoxyphenyl)methylidene]-6-[(5-phenylmethoxy-2-pyridinyl)methylidene]piperazine-2,5-dione;3-[(3-hydroxyphenyl)methylidene]-6-[(5-phenylmethoxy-2-pyridinyl)methylidene]piperazine-2,5-dione;3-[(2-nitrophenyl)methylidene]-6-[(5-phenylmethoxy-2-pyridinyl)methylidene]piperazine-2,5-dione;3-[(4-nitrophenyl)methylidene]-6-[(5-phenylmethoxy-2-pyridinyl)methylidene]piperazine-2,5-dione

3-(1,3-benzodioxol-5-ylmethylidene)-6-[(5-phenylmethoxy-2-pyridinyl)methylidene]piperazine-2,5-dione;3-[(3-chlorophenyl)methylidene]-6-[(5-phenylmethoxy-2-pyridinyl)methylidene]piperazine-2,5-dione;3-[(3,4-dichlorophenyl)methylidene]-6-[(5-phenylmethoxy-2-pyridinyl)methylidene]piperazine-2,5-dione;3-[(3,5-dihydroxyphenyl)methylidene]-6-[(5-phenylmethoxy-2-pyridinyl)methylidene]piperazine-2,5-dione;3-[(3,5-dimethoxyphenyl)methylidene]-6-[(5-phenylmethoxy-2-pyridinyl)methylidene]piperazine-2,5-dione;3-[(3-hydroxyphenyl)methylidene]-6-[(5-phenylmethoxy-2-pyridinyl)methylidene]piperazine-2,5-dione;3-[(2-nitrophenyl)methylidene]-6-[(5-phenylmethoxy-2-pyridinyl)methylidene]piperazine-2,5-dione;3-[(4-nitrophenyl)methylidene]-6-[(5-phenylmethoxy-2-pyridinyl)methylidene]piperazine-2,5-dione (PubChem CID 161460824) has the molecular formula C195H151Cl3N26O35 and a molecular weight of 3524.86 g/mol. Its IUPAC name is 3-(1,3-benzodioxol-5-ylmethylidene)-6-[(5-phenylmethoxy-2-pyridinyl)methylidene]piperazine-2,5-dione;3-[(3-chlorophenyl)methylidene]-6-[(5-phenylmethoxy-2-pyridinyl)methylidene]piperazine-2,5-dione;3-[(3,4-dichlorophenyl)methylidene]-6-[(5-phenylmethoxy-2-pyridinyl)methylidene]piperazine-2,5-dione;3-[(3,5-dihydroxyphenyl)methylidene]-6-[(5-phenylmethoxy-2-pyridinyl)methylidene]piperazine-2,5-dione;3-[(3,5-dimethoxyphenyl)methylidene]-6-[(5-phenylmethoxy-2-pyridinyl)methylidene]piperazine-2,5-dione;3-[(3-hydroxyphenyl)methylidene]-6-[(5-phenylmethoxy-2-pyridinyl)methylidene]piperazine-2,5-dione;3-[(2-nitrophenyl)methylidene]-6-[(5-phenylmethoxy-2-pyridinyl)methylidene]piperazine-2,5-dione;3-[(4-nitrophenyl)methylidene]-6-[(5-phenylmethoxy-2-pyridinyl)methylidene]piperazine-2,5-dione.

Molecular Properties

Compound Name3-(1,3-benzodioxol-5-ylmethylidene)-6-[(5-phenylmethoxy-2-pyridinyl)methylidene]piperazine-2,5-dione;3-[(3-chlorophenyl)methylidene]-6-[(5-phenylmethoxy-2-pyridinyl)methylidene]piperazine-2,5-dione;3-[(3,4-dichlorophenyl)methylidene]-6-[(5-phenylmethoxy-2-pyridinyl)methylidene]piperazine-2,5-dione;3-[(3,5-dihydroxyphenyl)methylidene]-6-[(5-phenylmethoxy-2-pyridinyl)methylidene]piperazine-2,5-dione;3-[(3,5-dimethoxyphenyl)methylidene]-6-[(5-phenylmethoxy-2-pyridinyl)methylidene]piperazine-2,5-dione;3-[(3-hydroxyphenyl)methylidene]-6-[(5-phenylmethoxy-2-pyridinyl)methylidene]piperazine-2,5-dione;3-[(2-nitrophenyl)methylidene]-6-[(5-phenylmethoxy-2-pyridinyl)methylidene]piperazine-2,5-dione;3-[(4-nitrophenyl)methylidene]-6-[(5-phenylmethoxy-2-pyridinyl)methylidene]piperazine-2,5-dione
PubChem CID161460824
Molecular FormulaC195H151Cl3N26O35
Molecular Weight3524.86 g/mol
Exact Mass3520.99
IUPAC Name3-(1,3-benzodioxol-5-ylmethylidene)-6-[(5-phenylmethoxy-2-pyridinyl)methylidene]piperazine-2,5-dione;3-[(3-chlorophenyl)methylidene]-6-[(5-phenylmethoxy-2-pyridinyl)methylidene]piperazine-2,5-dione;3-[(3,4-dichlorophenyl)methylidene]-6-[(5-phenylmethoxy-2-pyridinyl)methylidene]piperazine-2,5-dione;3-[(3,5-dihydroxyphenyl)methylidene]-6-[(5-phenylmethoxy-2-pyridinyl)methylidene]piperazine-2,5-dione;3-[(3,5-dimethoxyphenyl)methylidene]-6-[(5-phenylmethoxy-2-pyridinyl)methylidene]piperazine-2,5-dione;3-[(3-hydroxyphenyl)methylidene]-6-[(5-phenylmethoxy-2-pyridinyl)methylidene]piperazine-2,5-dione;3-[(2-nitrophenyl)methylidene]-6-[(5-phenylmethoxy-2-pyridinyl)methylidene]piperazine-2,5-dione;3-[(4-nitrophenyl)methylidene]-6-[(5-phenylmethoxy-2-pyridinyl)methylidene]piperazine-2,5-dione
SMILESCOc1cc(C=c2[nH]c(=O)c(=Cc3ccc(OCc4ccccc4)cn3)[nH]c2=O)cc(OC)c1.O=c1[nH]c(=Cc2ccc(OCc3ccccc3)cn2)c(=O)[nH]c1=Cc1cc(O)cc(O)c1.O=c1[nH]c(=Cc2ccc(OCc3ccccc3)cn2)c(=O)[nH]c1=Cc1ccc(Cl)c(Cl)c1.O=c1[nH]c(=Cc2ccc(OCc3ccccc3)cn2)c(=O)[nH]c1=Cc1ccc([N+](=O)[O-])cc1.O=c1[nH]c(=Cc2ccc(OCc3ccccc3)cn2)c(=O)[nH]c1=Cc1ccc2c(c1)OCO2.O=c1[nH]c(=Cc2ccc(OCc3ccccc3)cn2)c(=O)[nH]c1=Cc1cccc(Cl)c1.O=c1[nH]c(=Cc2ccc(OCc3ccccc3)cn2)c(=O)[nH]c1=Cc1cccc(O)c1.O=c1[nH]c(=Cc2ccccc2[N+](=O)[O-])c(=O)[nH]c1=Cc1ccc(OCc2ccccc2)cn1
InChIInChI=1S/C26H23N3O5.C25H19N3O5.C24H17Cl2N3O3.C24H18ClN3O3.2C24H18N4O5.C24H19N3O5.C24H19N3O4/c1-32-21-10-18(11-22(14-21)33-2)12-23-25(30)29-24(26(31)28-23)13-19-8-9-20(15-27-19)34-16-17-6-4-3-5-7-17;29-24-20(10-17-6-9-22-23(11-17)33-15-32-22)27-25(30)21(28-24)12-18-7-8-19(13-26-18)31-14-16-4-2-1-3-5-16;25-19-9-6-16(10-20(19)26)11-21-23(30)29-22(24(31)28-21)12-17-7-8-18(13-27-17)32-14-15-4-2-1-3-5-15;25-18-8-4-7-17(11-18)12-21-23(29)28-22(24(30)27-21)13-19-9-10-20(14-26-19)31-15-16-5-2-1-3-6-16;29-23-20(12-17-8-4-5-9-22(17)28(31)32)26-24(30)21(27-23)13-18-10-11-19(14-25-18)33-15-16-6-2-1-3-7-16;29-23-21(12-16-6-9-19(10-7-16)28(31)32)26-24(30)22(27-23)13-18-8-11-20(14-25-18)33-15-17-4-2-1-3-5-17;28-18-8-16(9-19(29)12-18)10-21-23(30)27-22(24(31)26-21)11-17-6-7-20(13-25-17)32-14-15-4-2-1-3-5-15;28-19-8-4-7-17(11-19)12-21-23(29)27-22(24(30)26-21)13-18-9-10-20(14-25-18)31-15-16-5-2-1-3-6-16/h3-15H,16H2,1-2H3,(H,28,31)(H,29,30);1-13H,14-15H2,(H,27,30)(H,28,29);1-13H,14H2,(H,28,31)(H,29,30);1-14H,15H2,(H,27,30)(H,28,29);2*1-14H,15H2,(H,26,30)(H,27,29);1-13,28-29H,14H2,(H,26,31)(H,27,30);1-14,28H,15H2,(H,26,30)(H,27,29)
InChIKeyWBTZAUHFVOIGPT-UHFFFAOYSA-N
XLogP14.20
TPSA886.61 Ų
H-Bond Donors19
H-Bond Acceptors43
Rotatable Bonds44
Heavy Atoms259
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003524.86
LogP ≤ 514.20
H-Bond Donors ≤ 519
H-Bond Acceptors ≤ 1043

Analyze 3-(1,3-benzodioxol-5-ylmethylidene)-6-[(5-phenylmethoxy-2-pyridinyl)methylidene]piperazine-2,5-dione;3-[(3-chlorophenyl)methylidene]-6-[(5-phenylmethoxy-2-pyridinyl)methylidene]piperazine-2,5-dione;3-[(3,4-dichlorophenyl)methylidene]-6-[(5-phenylmethoxy-2-pyridinyl)methylidene]piperazine-2,5-dione;3-[(3,5-dihydroxyphenyl)methylidene]-6-[(5-phenylmethoxy-2-pyridinyl)methylidene]piperazine-2,5-dione;3-[(3,5-dimethoxyphenyl)methylidene]-6-[(5-phenylmethoxy-2-pyridinyl)methylidene]piperazine-2,5-dione;3-[(3-hydroxyphenyl)methylidene]-6-[(5-phenylmethoxy-2-pyridinyl)methylidene]piperazine-2,5-dione;3-[(2-nitrophenyl)methylidene]-6-[(5-phenylmethoxy-2-pyridinyl)methylidene]piperazine-2,5-dione;3-[(4-nitrophenyl)methylidene]-6-[(5-phenylmethoxy-2-pyridinyl)methylidene]piperazine-2,5-dione with MolForge

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Related Compounds

3-[(3,4-dichlorophenyl)methylidene]-6-[(5-phenylmethoxy-2-pyridinyl)methylidene]piperazine-2,5-dione
CID 69422323
3-[(3,5-dimethoxyphenyl)methylidene]-6-[(5-phenylmethoxy-2-pyridinyl)methylidene]piperazine-2,5-dione
CID 69422895
3-[(3-hydroxy-5-methylphenyl)methylidene]-6-[(5-phenylmethoxy-2-pyridinyl)methylidene]piperazine-2,5-dione
CID 72647892
3-[[3-[3-(dimethylamino)propoxy]phenyl]methylidene]-6-[(5-phenylmethoxy-2-pyridinyl)methylidene]piperazine-2,5-dione
CID 70662776
(3E,6Z)-3-benzylidene-6-[[5-(pyridin-4-ylmethoxy)-2-pyridinyl]methylidene]piperazine-2,5-dione
CID 70662761
3-[(4-nitrophenyl)methylidene]-6-(pyridin-2-ylmethylidene)piperazine-2,5-dione
CID 3401142
(5E)-1-(1,3-benzodioxol-5-yl)-5-[[3,5-dichloro-4-[(4-nitrophenyl)methoxy]phenyl]methylidene]-1,3-diazinane-2,4,6-trione
CID 21216231
3-(1,3-benzodioxol-5-ylmethylidene)-6-[[4-[3-(dimethylamino)propoxy]phenyl]methylidene]piperazine-2,5-dione
CID 54386684
(3Z,6Z)-3,6-bis[(2-nitrophenyl)methylidene]piperazine-2,5-dione
CID 6533590
(2Z)-2-[(3,4-dichlorophenyl)methylidene]-6-[(4-nitrophenyl)methoxy]-1-benzofuran-3-one
CID 2017519
methyl 5-(4-chloro-3-nitrophenyl)-7-methyl-3-oxo-2-[(3-phenylmethoxyphenyl)methylidene]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 23987977
6-[(3-chlorophenyl)methoxy]-2-[(4-nitrophenyl)methylidene]-1-benzofuran-3-one
CID 5177321

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-benzodioxol-5-ylmethylidene)-6-[(5-phenylmethoxy-2-pyridinyl)methylidene]piperazine-2,5-dione;3-[(3-chlorophenyl)methylidene]-6-[(5-phenylmethoxy-2-pyridinyl)methylidene]piperazine-2,5-dione;3-[(3,4-dichlorophenyl)methylidene]-6-[(5-phenylmethoxy-2-pyridinyl)methylidene]piperazine-2,5-dione;3-[(3,5-dihydroxyphenyl)methylidene]-6-[(5-phenylmethoxy-2-pyridinyl)methylidene]piperazine-2,5-dione;3-[(3,5-dimethoxyphenyl)methylidene]-6-[(5-phenylmethoxy-2-pyridinyl)methylidene]piperazine-2,5-dione;3-[(3-hydroxyphenyl)methylidene]-6-[(5-phenylmethoxy-2-pyridinyl)methylidene]piperazine-2,5-dione;3-[(2-nitrophenyl)methylidene]-6-[(5-phenylmethoxy-2-pyridinyl)methylidene]piperazine-2,5-dione;3-[(4-nitrophenyl)methylidene]-6-[(5-phenylmethoxy-2-pyridinyl)methylidene]piperazine-2,5-dione?
The IUPAC name of 3-(1,3-benzodioxol-5-ylmethylidene)-6-[(5-phenylmethoxy-2-pyridinyl)methylidene]piperazine-2,5-dione;3-[(3-chlorophenyl)methylidene]-6-[(5-phenylmethoxy-2-pyridinyl)methylidene]piperazine-2,5-dione;3-[(3,4-dichlorophenyl)methylidene]-6-[(5-phenylmethoxy-2-pyridinyl)methylidene]piperazine-2,5-dione;3-[(3,5-dihydroxyphenyl)methylidene]-6-[(5-phenylmethoxy-2-pyridinyl)methylidene]piperazine-2,5-dione;3-[(3,5-dimethoxyphenyl)methylidene]-6-[(5-phenylmethoxy-2-pyridinyl)methylidene]piperazine-2,5-dione;3-[(3-hydroxyphenyl)methylidene]-6-[(5-phenylmethoxy-2-pyridinyl)methylidene]piperazine-2,5-dione;3-[(2-nitrophenyl)methylidene]-6-[(5-phenylmethoxy-2-pyridinyl)methylidene]piperazine-2,5-dione;3-[(4-nitrophenyl)methylidene]-6-[(5-phenylmethoxy-2-pyridinyl)methylidene]piperazine-2,5-dione (CID 161460824) is 3-(1,3-benzodioxol-5-ylmethylidene)-6-[(5-phenylmethoxy-2-pyridinyl)methylidene]piperazine-2,5-dione;3-[(3-chlorophenyl)methylidene]-6-[(5-phenylmethoxy-2-pyridinyl)methylidene]piperazine-2,5-dione;3-[(3,4-dichlorophenyl)methylidene]-6-[(5-phenylmethoxy-2-pyridinyl)methylidene]piperazine-2,5-dione;3-[(3,5-dihydroxyphenyl)methylidene]-6-[(5-phenylmethoxy-2-pyridinyl)methylidene]piperazine-2,5-dione;3-[(3,5-dimethoxyphenyl)methylidene]-6-[(5-phenylmethoxy-2-pyridinyl)methylidene]piperazine-2,5-dione;3-[(3-hydroxyphenyl)methylidene]-6-[(5-phenylmethoxy-2-pyridinyl)methylidene]piperazine-2,5-dione;3-[(2-nitrophenyl)methylidene]-6-[(5-phenylmethoxy-2-pyridinyl)methylidene]piperazine-2,5-dione;3-[(4-nitrophenyl)methylidene]-6-[(5-phenylmethoxy-2-pyridinyl)methylidene]piperazine-2,5-dione.
What is the SMILES notation for 3-(1,3-benzodioxol-5-ylmethylidene)-6-[(5-phenylmethoxy-2-pyridinyl)methylidene]piperazine-2,5-dione;3-[(3-chlorophenyl)methylidene]-6-[(5-phenylmethoxy-2-pyridinyl)methylidene]piperazine-2,5-dione;3-[(3,4-dichlorophenyl)methylidene]-6-[(5-phenylmethoxy-2-pyridinyl)methylidene]piperazine-2,5-dione;3-[(3,5-dihydroxyphenyl)methylidene]-6-[(5-phenylmethoxy-2-pyridinyl)methylidene]piperazine-2,5-dione;3-[(3,5-dimethoxyphenyl)methylidene]-6-[(5-phenylmethoxy-2-pyridinyl)methylidene]piperazine-2,5-dione;3-[(3-hydroxyphenyl)methylidene]-6-[(5-phenylmethoxy-2-pyridinyl)methylidene]piperazine-2,5-dione;3-[(2-nitrophenyl)methylidene]-6-[(5-phenylmethoxy-2-pyridinyl)methylidene]piperazine-2,5-dione;3-[(4-nitrophenyl)methylidene]-6-[(5-phenylmethoxy-2-pyridinyl)methylidene]piperazine-2,5-dione?
The canonical SMILES for 3-(1,3-benzodioxol-5-ylmethylidene)-6-[(5-phenylmethoxy-2-pyridinyl)methylidene]piperazine-2,5-dione;3-[(3-chlorophenyl)methylidene]-6-[(5-phenylmethoxy-2-pyridinyl)methylidene]piperazine-2,5-dione;3-[(3,4-dichlorophenyl)methylidene]-6-[(5-phenylmethoxy-2-pyridinyl)methylidene]piperazine-2,5-dione;3-[(3,5-dihydroxyphenyl)methylidene]-6-[(5-phenylmethoxy-2-pyridinyl)methylidene]piperazine-2,5-dione;3-[(3,5-dimethoxyphenyl)methylidene]-6-[(5-phenylmethoxy-2-pyridinyl)methylidene]piperazine-2,5-dione;3-[(3-hydroxyphenyl)methylidene]-6-[(5-phenylmethoxy-2-pyridinyl)methylidene]piperazine-2,5-dione;3-[(2-nitrophenyl)methylidene]-6-[(5-phenylmethoxy-2-pyridinyl)methylidene]piperazine-2,5-dione;3-[(4-nitrophenyl)methylidene]-6-[(5-phenylmethoxy-2-pyridinyl)methylidene]piperazine-2,5-dione is COc1cc(C=c2[nH]c(=O)c(=Cc3ccc(OCc4ccccc4)cn3)[nH]c2=O)cc(OC)c1.O=c1[nH]c(=Cc2ccc(OCc3ccccc3)cn2)c(=O)[nH]c1=Cc1cc(O)cc(O)c1.O=c1[nH]c(=Cc2ccc(OCc3ccccc3)cn2)c(=O)[nH]c1=Cc1ccc(Cl)c(Cl)c1.O=c1[nH]c(=Cc2ccc(OCc3ccccc3)cn2)c(=O)[nH]c1=Cc1ccc([N+](=O)[O-])cc1.O=c1[nH]c(=Cc2ccc(OCc3ccccc3)cn2)c(=O)[nH]c1=Cc1ccc2c(c1)OCO2.O=c1[nH]c(=Cc2ccc(OCc3ccccc3)cn2)c(=O)[nH]c1=Cc1cccc(Cl)c1.O=c1[nH]c(=Cc2ccc(OCc3ccccc3)cn2)c(=O)[nH]c1=Cc1cccc(O)c1.O=c1[nH]c(=Cc2ccccc2[N+](=O)[O-])c(=O)[nH]c1=Cc1ccc(OCc2ccccc2)cn1.
What is the InChIKey of 3-(1,3-benzodioxol-5-ylmethylidene)-6-[(5-phenylmethoxy-2-pyridinyl)methylidene]piperazine-2,5-dione;3-[(3-chlorophenyl)methylidene]-6-[(5-phenylmethoxy-2-pyridinyl)methylidene]piperazine-2,5-dione;3-[(3,4-dichlorophenyl)methylidene]-6-[(5-phenylmethoxy-2-pyridinyl)methylidene]piperazine-2,5-dione;3-[(3,5-dihydroxyphenyl)methylidene]-6-[(5-phenylmethoxy-2-pyridinyl)methylidene]piperazine-2,5-dione;3-[(3,5-dimethoxyphenyl)methylidene]-6-[(5-phenylmethoxy-2-pyridinyl)methylidene]piperazine-2,5-dione;3-[(3-hydroxyphenyl)methylidene]-6-[(5-phenylmethoxy-2-pyridinyl)methylidene]piperazine-2,5-dione;3-[(2-nitrophenyl)methylidene]-6-[(5-phenylmethoxy-2-pyridinyl)methylidene]piperazine-2,5-dione;3-[(4-nitrophenyl)methylidene]-6-[(5-phenylmethoxy-2-pyridinyl)methylidene]piperazine-2,5-dione?
The InChIKey is WBTZAUHFVOIGPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N3O5.C25H19N3O5.C24H17Cl2N3O3.C24H18ClN3O3.2C24H18N4O5.C24H19N3O5.C24H19N3O4/c1-32-21-10-18(11-22(14-21)33-2)12-23-25(30)29-24(26(31)28-23)13-19-8-9-20(15-27-19)34-16-17-6-4-3-5-7-17;29-24-20(10-17-6-9-22-23(11-17)33-15-32-22)27-25(30)21(28-24)12-18-7-8-19(13-26-18)31-14-16-4-2-1-3-5-16;25-19-9-6-16(10-20(19)26)11-21-23(30)29-22(24(31)28-21)12-17-7-8-18(13-27-17)32-14-15-4-2-1-3-5-15;25-18-8-4-7-17(11-18)12-21-23(29)28-22(24(30)27-21)13-19-9-10-20(14-26-19)31-15-16-5-2-1-3-6-16;29-23-20(12-17-8-4-5-9-22(17)28(31)32)26-24(30)21(27-23)13-18-10-11-19(14-25-18)33-15-16-6-2-1-3-7-16;29-23-21(12-16-6-9-19(10-7-16)28(31)32)26-24(30)22(27-23)13-18-8-11-20(14-25-18)33-15-17-4-2-1-3-5-17;28-18-8-16(9-19(29)12-18)10-21-23(30)27-22(24(31)26-21)11-17-6-7-20(13-25-17)32-14-15-4-2-1-3-5-15;28-19-8-4-7-17(11-19)12-21-23(29)27-22(24(30)26-21)13-18-9-10-20(14-25-18)31-15-16-5-2-1-3-6-16/h3-15H,16H2,1-2H3,(H,28,31)(H,29,30);1-13H,14-15H2,(H,27,30)(H,28,29);1-13H,14H2,(H,28,31)(H,29,30);1-14H,15H2,(H,27,30)(H,28,29);2*1-14H,15H2,(H,26,30)(H,27,29);1-13,28-29H,14H2,(H,26,31)(H,27,30);1-14,28H,15H2,(H,26,30)(H,27,29).
What are the key properties of 3-(1,3-benzodioxol-5-ylmethylidene)-6-[(5-phenylmethoxy-2-pyridinyl)methylidene]piperazine-2,5-dione;3-[(3-chlorophenyl)methylidene]-6-[(5-phenylmethoxy-2-pyridinyl)methylidene]piperazine-2,5-dione;3-[(3,4-dichlorophenyl)methylidene]-6-[(5-phenylmethoxy-2-pyridinyl)methylidene]piperazine-2,5-dione;3-[(3,5-dihydroxyphenyl)methylidene]-6-[(5-phenylmethoxy-2-pyridinyl)methylidene]piperazine-2,5-dione;3-[(3,5-dimethoxyphenyl)methylidene]-6-[(5-phenylmethoxy-2-pyridinyl)methylidene]piperazine-2,5-dione;3-[(3-hydroxyphenyl)methylidene]-6-[(5-phenylmethoxy-2-pyridinyl)methylidene]piperazine-2,5-dione;3-[(2-nitrophenyl)methylidene]-6-[(5-phenylmethoxy-2-pyridinyl)methylidene]piperazine-2,5-dione;3-[(4-nitrophenyl)methylidene]-6-[(5-phenylmethoxy-2-pyridinyl)methylidene]piperazine-2,5-dione?
3-(1,3-benzodioxol-5-ylmethylidene)-6-[(5-phenylmethoxy-2-pyridinyl)methylidene]piperazine-2,5-dione;3-[(3-chlorophenyl)methylidene]-6-[(5-phenylmethoxy-2-pyridinyl)methylidene]piperazine-2,5-dione;3-[(3,4-dichlorophenyl)methylidene]-6-[(5-phenylmethoxy-2-pyridinyl)methylidene]piperazine-2,5-dione;3-[(3,5-dihydroxyphenyl)methylidene]-6-[(5-phenylmethoxy-2-pyridinyl)methylidene]piperazine-2,5-dione;3-[(3,5-dimethoxyphenyl)methylidene]-6-[(5-phenylmethoxy-2-pyridinyl)methylidene]piperazine-2,5-dione;3-[(3-hydroxyphenyl)methylidene]-6-[(5-phenylmethoxy-2-pyridinyl)methylidene]piperazine-2,5-dione;3-[(2-nitrophenyl)methylidene]-6-[(5-phenylmethoxy-2-pyridinyl)methylidene]piperazine-2,5-dione;3-[(4-nitrophenyl)methylidene]-6-[(5-phenylmethoxy-2-pyridinyl)methylidene]piperazine-2,5-dione has a molecular weight of 3524.86 g/mol, XLogP of 14.20, 44 rotatable bonds, 19 hydrogen bond donors, and 43 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-benzodioxol-5-ylmethylidene)-6-[(5-phenylmethoxy-2-pyridinyl)methylidene]piperazine-2,5-dione;3-[(3-chlorophenyl)methylidene]-6-[(5-phenylmethoxy-2-pyridinyl)methylidene]piperazine-2,5-dione;3-[(3,4-dichlorophenyl)methylidene]-6-[(5-phenylmethoxy-2-pyridinyl)methylidene]piperazine-2,5-dione;3-[(3,5-dihydroxyphenyl)methylidene]-6-[(5-phenylmethoxy-2-pyridinyl)methylidene]piperazine-2,5-dione;3-[(3,5-dimethoxyphenyl)methylidene]-6-[(5-phenylmethoxy-2-pyridinyl)methylidene]piperazine-2,5-dione;3-[(3-hydroxyphenyl)methylidene]-6-[(5-phenylmethoxy-2-pyridinyl)methylidene]piperazine-2,5-dione;3-[(2-nitrophenyl)methylidene]-6-[(5-phenylmethoxy-2-pyridinyl)methylidene]piperazine-2,5-dione;3-[(4-nitrophenyl)methylidene]-6-[(5-phenylmethoxy-2-pyridinyl)methylidene]piperazine-2,5-dione is sourced from PubChem (CID 161460824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).