2-(6-methylidene-2-oxopiperidin-3-yl)-5-[4-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-oxobutyl]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[4-[4-(morpholin-4-ylmethyl)phenyl]-3-oxobutyl]-3H-isoindol-1-one;bis(2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-oxo-4-[4-(2-pyridin-4-ylethyl)phenyl]butyl]-3H-isoindol-1-one);2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-oxo-4-[4-(pyridin-4-yloxymethyl)phenyl]butyl]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-oxo-4-(4-pyridin-4-ylphenyl)butyl]-3H-isoindol-1-one

C180H187N19O20 — CID 161442752

IUPAC2-(6-methylidene-2-oxopiperidin-3-yl)-5-[4-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-oxobutyl]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[4-[4-(morpholin-4-ylmethyl)phenyl]-3-oxobutyl]-3H-isoindol-1-one;bis(2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-oxo-4-[4-(2-pyridin-4-ylethyl)phenyl]butyl]-3H-isoindol-1-one);2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-oxo-4-[4-(pyridin-4-yloxymethyl)phenyl]butyl]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-oxo-4-(4-pyridin-4-ylphenyl)butyl]-3H-isoindol-1-one
SMILESC=C1CCC(N2Cc3cc(CCC(=O)Cc4ccc(-c5ccncc5)cc4)ccc3C2=O)C(=O)N1.C=C1CCC(N2Cc3cc(CCC(=O)Cc4ccc(CCc5ccncc5)cc4)ccc3C2=O)C(=O)N1.C=C1CCC(N2Cc3cc(CCC(=O)Cc4ccc(CCc5ccncc5)cc4)ccc3C2=O)C(=O)N1.C=C1CCC(N2Cc3cc(CCC(=O)Cc4ccc(CN5CCOCC5)cc4)ccc3C2=O)C(=O)N1.C=C1CCC(N2Cc3cc(CCC(=O)Cc4ccc(COc5ccncc5)cc4)ccc3C2=O)C(=O)N1.C=C1CCC(N2Cc3cc(CCC(=O)Cc4cccc(CN5CCN(C)CC5)c4)ccc3C2=O)C(=O)N1
InChIInChI=1S/2C31H31N3O3.C30H36N4O3.C30H29N3O4.C29H33N3O4.C29H27N3O3/c2*1-21-2-13-29(30(36)33-21)34-20-26-18-24(10-12-28(26)31(34)37)9-11-27(35)19-25-7-5-22(6-8-25)3-4-23-14-16-32-17-15-23;1-21-6-11-28(29(36)31-21)34-20-25-17-22(8-10-27(25)30(34)37)7-9-26(35)18-23-4-3-5-24(16-23)19-33-14-12-32(2)13-15-33;1-20-2-11-28(29(35)32-20)33-18-24-16-21(8-10-27(24)30(33)36)7-9-25(34)17-22-3-5-23(6-4-22)19-37-26-12-14-31-15-13-26;1-20-2-11-27(28(34)30-20)32-19-24-16-21(8-10-26(24)29(32)35)7-9-25(33)17-22-3-5-23(6-4-22)18-31-12-14-36-15-13-31;1-19-2-11-27(28(34)31-19)32-18-24-16-20(6-10-26(24)29(32)35)5-9-25(33)17-21-3-7-22(8-4-21)23-12-14-30-15-13-23/h2*5-8,10,12,14-18,29H,1-4,9,11,13,19-20H2,(H,33,36);3-5,8,10,16-17,28H,1,6-7,9,11-15,18-20H2,2H3,(H,31,36);3-6,8,10,12-16,28H,1-2,7,9,11,17-19H2,(H,32,35);3-6,8,10,16,27H,1-2,7,9,11-15,17-19H2,(H,30,34);3-4,6-8,10,12-16,27H,1-2,5,9,11,17-18H2,(H,31,34)
InChIKeyVZMOTRCKZMUYIR-UHFFFAOYSA-N
MW2936.59 g/mol
LogP23.05
Rot. Bonds50

About 2-(6-methylidene-2-oxopiperidin-3-yl)-5-[4-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-oxobutyl]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[4-[4-(morpholin-4-ylmethyl)phenyl]-3-oxobutyl]-3H-isoindol-1-one;bis(2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-oxo-4-[4-(2-pyridin-4-ylethyl)phenyl]butyl]-3H-isoindol-1-one);2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-oxo-4-[4-(pyridin-4-yloxymethyl)phenyl]butyl]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-oxo-4-(4-pyridin-4-ylphenyl)butyl]-3H-isoindol-1-one

2-(6-methylidene-2-oxopiperidin-3-yl)-5-[4-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-oxobutyl]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[4-[4-(morpholin-4-ylmethyl)phenyl]-3-oxobutyl]-3H-isoindol-1-one;bis(2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-oxo-4-[4-(2-pyridin-4-ylethyl)phenyl]butyl]-3H-isoindol-1-one);2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-oxo-4-[4-(pyridin-4-yloxymethyl)phenyl]butyl]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-oxo-4-(4-pyridin-4-ylphenyl)butyl]-3H-isoindol-1-one (PubChem CID 161442752) has the molecular formula C180H187N19O20 and a molecular weight of 2936.59 g/mol. Its IUPAC name is 2-(6-methylidene-2-oxopiperidin-3-yl)-5-[4-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-oxobutyl]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[4-[4-(morpholin-4-ylmethyl)phenyl]-3-oxobutyl]-3H-isoindol-1-one;bis(2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-oxo-4-[4-(2-pyridin-4-ylethyl)phenyl]butyl]-3H-isoindol-1-one);2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-oxo-4-[4-(pyridin-4-yloxymethyl)phenyl]butyl]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-oxo-4-(4-pyridin-4-ylphenyl)butyl]-3H-isoindol-1-one.

Molecular Properties

Compound Name2-(6-methylidene-2-oxopiperidin-3-yl)-5-[4-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-oxobutyl]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[4-[4-(morpholin-4-ylmethyl)phenyl]-3-oxobutyl]-3H-isoindol-1-one;bis(2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-oxo-4-[4-(2-pyridin-4-ylethyl)phenyl]butyl]-3H-isoindol-1-one);2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-oxo-4-[4-(pyridin-4-yloxymethyl)phenyl]butyl]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-oxo-4-(4-pyridin-4-ylphenyl)butyl]-3H-isoindol-1-one
PubChem CID161442752
Molecular FormulaC180H187N19O20
Molecular Weight2936.59 g/mol
Exact Mass2934.42
IUPAC Name2-(6-methylidene-2-oxopiperidin-3-yl)-5-[4-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-oxobutyl]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[4-[4-(morpholin-4-ylmethyl)phenyl]-3-oxobutyl]-3H-isoindol-1-one;bis(2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-oxo-4-[4-(2-pyridin-4-ylethyl)phenyl]butyl]-3H-isoindol-1-one);2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-oxo-4-[4-(pyridin-4-yloxymethyl)phenyl]butyl]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-oxo-4-(4-pyridin-4-ylphenyl)butyl]-3H-isoindol-1-one
SMILESC=C1CCC(N2Cc3cc(CCC(=O)Cc4ccc(-c5ccncc5)cc4)ccc3C2=O)C(=O)N1.C=C1CCC(N2Cc3cc(CCC(=O)Cc4ccc(CCc5ccncc5)cc4)ccc3C2=O)C(=O)N1.C=C1CCC(N2Cc3cc(CCC(=O)Cc4ccc(CCc5ccncc5)cc4)ccc3C2=O)C(=O)N1.C=C1CCC(N2Cc3cc(CCC(=O)Cc4ccc(CN5CCOCC5)cc4)ccc3C2=O)C(=O)N1.C=C1CCC(N2Cc3cc(CCC(=O)Cc4ccc(COc5ccncc5)cc4)ccc3C2=O)C(=O)N1.C=C1CCC(N2Cc3cc(CCC(=O)Cc4cccc(CN5CCN(C)CC5)c4)ccc3C2=O)C(=O)N1
InChIInChI=1S/2C31H31N3O3.C30H36N4O3.C30H29N3O4.C29H33N3O4.C29H27N3O3/c2*1-21-2-13-29(30(36)33-21)34-20-26-18-24(10-12-28(26)31(34)37)9-11-27(35)19-25-7-5-22(6-8-25)3-4-23-14-16-32-17-15-23;1-21-6-11-28(29(36)31-21)34-20-25-17-22(8-10-27(25)30(34)37)7-9-26(35)18-23-4-3-5-24(16-23)19-33-14-12-32(2)13-15-33;1-20-2-11-28(29(35)32-20)33-18-24-16-21(8-10-27(24)30(33)36)7-9-25(34)17-22-3-5-23(6-4-22)19-37-26-12-14-31-15-13-26;1-20-2-11-27(28(34)30-20)32-19-24-16-21(8-10-26(24)29(32)35)7-9-25(33)17-22-3-5-23(6-4-22)18-31-12-14-36-15-13-31;1-19-2-11-27(28(34)31-19)32-18-24-16-20(6-10-26(24)29(32)35)5-9-25(33)17-21-3-7-22(8-4-21)23-12-14-30-15-13-23/h2*5-8,10,12,14-18,29H,1-4,9,11,13,19-20H2,(H,33,36);3-5,8,10,16-17,28H,1,6-7,9,11-15,18-20H2,2H3,(H,31,36);3-6,8,10,12-16,28H,1-2,7,9,11,17-19H2,(H,32,35);3-6,8,10,16,27H,1-2,7,9,11-15,17-19H2,(H,30,34);3-4,6-8,10,12-16,27H,1-2,5,9,11,17-18H2,(H,31,34)
InChIKeyVZMOTRCKZMUYIR-UHFFFAOYSA-N
XLogP23.05
TPSA478.62 Ų
H-Bond Donors6
H-Bond Acceptors27
Rotatable Bonds50
Heavy Atoms219
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002936.59
LogP ≤ 523.05
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1027

Analyze 2-(6-methylidene-2-oxopiperidin-3-yl)-5-[4-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-oxobutyl]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[4-[4-(morpholin-4-ylmethyl)phenyl]-3-oxobutyl]-3H-isoindol-1-one;bis(2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-oxo-4-[4-(2-pyridin-4-ylethyl)phenyl]butyl]-3H-isoindol-1-one);2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-oxo-4-[4-(pyridin-4-yloxymethyl)phenyl]butyl]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-oxo-4-(4-pyridin-4-ylphenyl)butyl]-3H-isoindol-1-one with MolForge

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Related Compounds

(7S)-N-[[2-[2-(dimethylamino)ethoxy]phenyl]methyl]-7-propan-2-yl-6-[[4-(trifluoromethyl)phenyl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;(7S)-N-[2-(4-methylpiperazin-1-yl)ethyl]-7-propan-2-yl-6-[[4-(trifluoromethyl)phenyl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;(7S)-N-[(1-methylpiperidin-4-yl)methyl]-7-propan-2-yl-6-[[4-(trifluoromethyl)phenyl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;(7S)-7-propan-2-yl-N-(2-pyridin-2-ylethyl)-6-[[4-(trifluoromethyl)phenyl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide
CID 158611555
4-[[4-[(4-butyl-3-oxopiperazin-1-yl)methyl]phenyl]methoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-[[4-[(4,4-dimethylpiperidin-1-yl)methyl]phenyl]methoxy]-2-[(3S)-3-methyl-6-methylidene-2-oxopiperidin-3-yl]-3H-isoindol-1-one;4-[[4-[(4-ethyl-3-oxopiperazin-1-yl)methyl]phenyl]methoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[4-[(4-pyridin-3-ylpiperidin-1-yl)methyl]phenyl]methoxy]-3H-isoindol-1-one;2-[(3S)-3-methyl-6-methylidene-2-oxopiperidin-3-yl]-4-[[4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]phenyl]methoxy]-3H-isoindol-1-one
CID 159114633
4-[7-[[4-[(4-butyl-3-oxopiperazin-1-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;(4S)-4-[7-[[4-[(4,4-dimethylpiperidin-1-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]-4-methylcyclohexane-1,3-dione;4-[7-[[4-[(4-ethyl-3-oxopiperazin-1-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;(4S)-4-methyl-4-[3-oxo-7-[[4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]phenyl]methoxy]-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[3-oxo-7-[[4-[(4-pyridin-3-ylpiperidin-1-yl)methyl]phenyl]methoxy]-1H-isoindol-2-yl]cyclohexane-1,3-dione
CID 159627900
(4S)-4-[7-[[4-[(4,4-dimethylpiperidin-1-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]-4-methylcyclohexane-1,3-dione;4-[7-[[4-[(4-ethyl-3-oxopiperazin-1-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;(4S)-4-methyl-4-[3-oxo-7-[[4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]phenyl]methoxy]-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[7-[[4-[[4-(4-methylphenyl)piperidin-1-yl]methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[3-oxo-7-[[4-[(4-pyridin-3-ylpiperidin-1-yl)methyl]phenyl]methoxy]-1H-isoindol-2-yl]cyclohexane-1,3-dione
CID 161151006
2-[1-[(E)-3-[4-(1,1-difluoroethoxy)phenyl]prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetamide;2-[1-[(E)-3-(2,3-dihydro-1H-inden-5-yl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetamide;ethyl 3-[2-[4-[2-amino-1-[[4-(1H-indol-3-yl)cyclohexyl]amino]-2-oxoethyl]piperidin-1-yl]-2-oxoethyl]benzoate;2-[[4-(1H-indol-3-yl)cyclohexyl]amino]-2-[1-[2-(3-methylphenyl)acetyl]piperidin-4-yl]acetamide;2-[[4-(1H-indol-3-yl)cyclohexyl]amino]-2-[1-[(E)-3-(4-methylphenyl)prop-2-enoyl]piperidin-4-yl]acetamide
CID 161166338
2-[4-[2,3,4,5,6-Pentakis[4-([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]phenyl]phenyl]-[1,3]oxazolo[5,4-b]pyridine
CID 23391316
2-[4-[2-[4-[1-[(3-Methyl-2-pyridinyl)oxy]ethenyl]phenyl]-3,4,5,6-tetrakis[4-([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]phenyl]phenyl]-[1,3]oxazolo[5,4-b]pyridine
CID 89223280
2-[4-[2-[4-(1,2-Dihydro-[1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]-4,5-bis[4-([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]phenyl]phenyl]-[1,3]oxazolo[5,4-b]pyridine
CID 90720247
5-[2-[2-dibenzofuran-4-yl-4-[5-[3-dibenzofuran-4-yl-4-[2-[3-[(2-dibenzofuran-4-yl-4-pyridin-2-ylbenzene-5-id-1-yl)-methylcarbamoyl]-5-[(2-dibenzofuran-4-yl-4-pyridin-2-ylbenzene-6-id-1-yl)-methylcarbamoyl]phenyl]phenyl]benzene-6-id-1-yl]pyrazin-2-yl]benzene-5-id-1-yl]phenyl]-1-N,3-N-bis(2-dibenzofuran-4-yl-4-pyridin-2-ylbenzene-5-id-1-yl)-1-N,3-N-dimethylbenzene-1,3-dicarboxamide;bis(iridium(3+))
CID 141693401
5-[4-(3-aminophenyl)-3-oxobutyl]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[4-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-3-oxobutyl]-3H-isoindol-1-one;N-[4-[4-[2-(6-methylidene-2-oxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-2-oxobutyl]phenyl]acetamide;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-oxo-4-[4-(pyridin-4-yloxymethyl)phenyl]butyl]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-oxo-4-(3-pyridin-2-yloxyphenyl)butyl]-3H-isoindol-1-one;N-methyl-3-[2-(6-methylidene-2-oxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-N-phenylpropanamide
CID 157137410
5-[4-(3-amino-4-methylphenyl)-3-oxobutyl]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[4-(4-methyl-3-nitrophenyl)-3-oxobutyl]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[4-(4-nitrophenyl)-3-oxobutyl]-3H-isoindol-1-one;N-[4-[4-[2-(6-methylidene-2-oxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-2-oxobutyl]phenyl]acetamide;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-oxo-4-(3-phenoxyphenyl)butyl]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-oxo-4-[4-(pyridin-4-yloxymethyl)phenyl]butyl]-3H-isoindol-1-one;N-methyl-3-[2-(6-methylidene-2-oxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-N-phenylpropanamide
CID 157511401
2,5-Dimethyl-4-(2-methylphenyl)-[1,3]oxazolo[4,5-c]pyridin-5-ium;2-[2,6-di(propan-2-yl)phenyl]-5-methyl-4-(2-methylphenyl)-[1,3]oxazolo[5,4-c]pyridin-5-ium;5-methyl-4-(2-methylphenyl)-[1,3]oxazolo[4,5-c]pyridin-5-ium;5-methyl-4-(2-methylphenyl)-2-phenyl-[1,3]oxazolo[5,4-c]pyridin-5-ium;5-methyl-4-(2-methylphenyl)-2-propan-2-yl-[1,3]oxazolo[4,5-c]pyridin-5-ium
CID 157571150

Frequently Asked Questions

What is the IUPAC name of 2-(6-methylidene-2-oxopiperidin-3-yl)-5-[4-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-oxobutyl]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[4-[4-(morpholin-4-ylmethyl)phenyl]-3-oxobutyl]-3H-isoindol-1-one;bis(2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-oxo-4-[4-(2-pyridin-4-ylethyl)phenyl]butyl]-3H-isoindol-1-one);2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-oxo-4-[4-(pyridin-4-yloxymethyl)phenyl]butyl]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-oxo-4-(4-pyridin-4-ylphenyl)butyl]-3H-isoindol-1-one?
The IUPAC name of 2-(6-methylidene-2-oxopiperidin-3-yl)-5-[4-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-oxobutyl]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[4-[4-(morpholin-4-ylmethyl)phenyl]-3-oxobutyl]-3H-isoindol-1-one;bis(2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-oxo-4-[4-(2-pyridin-4-ylethyl)phenyl]butyl]-3H-isoindol-1-one);2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-oxo-4-[4-(pyridin-4-yloxymethyl)phenyl]butyl]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-oxo-4-(4-pyridin-4-ylphenyl)butyl]-3H-isoindol-1-one (CID 161442752) is 2-(6-methylidene-2-oxopiperidin-3-yl)-5-[4-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-oxobutyl]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[4-[4-(morpholin-4-ylmethyl)phenyl]-3-oxobutyl]-3H-isoindol-1-one;bis(2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-oxo-4-[4-(2-pyridin-4-ylethyl)phenyl]butyl]-3H-isoindol-1-one);2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-oxo-4-[4-(pyridin-4-yloxymethyl)phenyl]butyl]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-oxo-4-(4-pyridin-4-ylphenyl)butyl]-3H-isoindol-1-one.
What is the SMILES notation for 2-(6-methylidene-2-oxopiperidin-3-yl)-5-[4-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-oxobutyl]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[4-[4-(morpholin-4-ylmethyl)phenyl]-3-oxobutyl]-3H-isoindol-1-one;bis(2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-oxo-4-[4-(2-pyridin-4-ylethyl)phenyl]butyl]-3H-isoindol-1-one);2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-oxo-4-[4-(pyridin-4-yloxymethyl)phenyl]butyl]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-oxo-4-(4-pyridin-4-ylphenyl)butyl]-3H-isoindol-1-one?
The canonical SMILES for 2-(6-methylidene-2-oxopiperidin-3-yl)-5-[4-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-oxobutyl]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[4-[4-(morpholin-4-ylmethyl)phenyl]-3-oxobutyl]-3H-isoindol-1-one;bis(2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-oxo-4-[4-(2-pyridin-4-ylethyl)phenyl]butyl]-3H-isoindol-1-one);2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-oxo-4-[4-(pyridin-4-yloxymethyl)phenyl]butyl]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-oxo-4-(4-pyridin-4-ylphenyl)butyl]-3H-isoindol-1-one is C=C1CCC(N2Cc3cc(CCC(=O)Cc4ccc(-c5ccncc5)cc4)ccc3C2=O)C(=O)N1.C=C1CCC(N2Cc3cc(CCC(=O)Cc4ccc(CCc5ccncc5)cc4)ccc3C2=O)C(=O)N1.C=C1CCC(N2Cc3cc(CCC(=O)Cc4ccc(CCc5ccncc5)cc4)ccc3C2=O)C(=O)N1.C=C1CCC(N2Cc3cc(CCC(=O)Cc4ccc(CN5CCOCC5)cc4)ccc3C2=O)C(=O)N1.C=C1CCC(N2Cc3cc(CCC(=O)Cc4ccc(COc5ccncc5)cc4)ccc3C2=O)C(=O)N1.C=C1CCC(N2Cc3cc(CCC(=O)Cc4cccc(CN5CCN(C)CC5)c4)ccc3C2=O)C(=O)N1.
What is the InChIKey of 2-(6-methylidene-2-oxopiperidin-3-yl)-5-[4-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-oxobutyl]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[4-[4-(morpholin-4-ylmethyl)phenyl]-3-oxobutyl]-3H-isoindol-1-one;bis(2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-oxo-4-[4-(2-pyridin-4-ylethyl)phenyl]butyl]-3H-isoindol-1-one);2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-oxo-4-[4-(pyridin-4-yloxymethyl)phenyl]butyl]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-oxo-4-(4-pyridin-4-ylphenyl)butyl]-3H-isoindol-1-one?
The InChIKey is VZMOTRCKZMUYIR-UHFFFAOYSA-N. The full InChI is InChI=1S/2C31H31N3O3.C30H36N4O3.C30H29N3O4.C29H33N3O4.C29H27N3O3/c2*1-21-2-13-29(30(36)33-21)34-20-26-18-24(10-12-28(26)31(34)37)9-11-27(35)19-25-7-5-22(6-8-25)3-4-23-14-16-32-17-15-23;1-21-6-11-28(29(36)31-21)34-20-25-17-22(8-10-27(25)30(34)37)7-9-26(35)18-23-4-3-5-24(16-23)19-33-14-12-32(2)13-15-33;1-20-2-11-28(29(35)32-20)33-18-24-16-21(8-10-27(24)30(33)36)7-9-25(34)17-22-3-5-23(6-4-22)19-37-26-12-14-31-15-13-26;1-20-2-11-27(28(34)30-20)32-19-24-16-21(8-10-26(24)29(32)35)7-9-25(33)17-22-3-5-23(6-4-22)18-31-12-14-36-15-13-31;1-19-2-11-27(28(34)31-19)32-18-24-16-20(6-10-26(24)29(32)35)5-9-25(33)17-21-3-7-22(8-4-21)23-12-14-30-15-13-23/h2*5-8,10,12,14-18,29H,1-4,9,11,13,19-20H2,(H,33,36);3-5,8,10,16-17,28H,1,6-7,9,11-15,18-20H2,2H3,(H,31,36);3-6,8,10,12-16,28H,1-2,7,9,11,17-19H2,(H,32,35);3-6,8,10,16,27H,1-2,7,9,11-15,17-19H2,(H,30,34);3-4,6-8,10,12-16,27H,1-2,5,9,11,17-18H2,(H,31,34).
What are the key properties of 2-(6-methylidene-2-oxopiperidin-3-yl)-5-[4-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-oxobutyl]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[4-[4-(morpholin-4-ylmethyl)phenyl]-3-oxobutyl]-3H-isoindol-1-one;bis(2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-oxo-4-[4-(2-pyridin-4-ylethyl)phenyl]butyl]-3H-isoindol-1-one);2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-oxo-4-[4-(pyridin-4-yloxymethyl)phenyl]butyl]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-oxo-4-(4-pyridin-4-ylphenyl)butyl]-3H-isoindol-1-one?
2-(6-methylidene-2-oxopiperidin-3-yl)-5-[4-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-oxobutyl]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[4-[4-(morpholin-4-ylmethyl)phenyl]-3-oxobutyl]-3H-isoindol-1-one;bis(2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-oxo-4-[4-(2-pyridin-4-ylethyl)phenyl]butyl]-3H-isoindol-1-one);2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-oxo-4-[4-(pyridin-4-yloxymethyl)phenyl]butyl]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-oxo-4-(4-pyridin-4-ylphenyl)butyl]-3H-isoindol-1-one has a molecular weight of 2936.59 g/mol, XLogP of 23.05, 50 rotatable bonds, 6 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methylidene-2-oxopiperidin-3-yl)-5-[4-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-oxobutyl]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[4-[4-(morpholin-4-ylmethyl)phenyl]-3-oxobutyl]-3H-isoindol-1-one;bis(2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-oxo-4-[4-(2-pyridin-4-ylethyl)phenyl]butyl]-3H-isoindol-1-one);2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-oxo-4-[4-(pyridin-4-yloxymethyl)phenyl]butyl]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-oxo-4-(4-pyridin-4-ylphenyl)butyl]-3H-isoindol-1-one is sourced from PubChem (CID 161442752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).