2-(2,6-dioxopiperidin-3-yl)-5-hydroxyisoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-[2-[methyl-[2-(4-methylphenyl)imidazo[1,2-a]pyridin-7-yl]amino]ethoxy]isoindole-1,3-dione;N-methyl-2-(4-methylphenyl)-N-[2-(4-methylphenyl)sulfonylethyl]imidazo[1,2-a]pyridin-7-amine

C67H62N10O12S — CID 167549773

IUPAC2-(2,6-dioxopiperidin-3-yl)-5-hydroxyisoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-[2-[methyl-[2-(4-methylphenyl)imidazo[1,2-a]pyridin-7-yl]amino]ethoxy]isoindole-1,3-dione;N-methyl-2-(4-methylphenyl)-N-[2-(4-methylphenyl)sulfonylethyl]imidazo[1,2-a]pyridin-7-amine
SMILESCc1ccc(-c2cn3ccc(N(C)CCOc4ccc5c(c4)C(=O)N(C4CCC(=O)NC4=O)C5=O)cc3n2)cc1.Cc1ccc(-c2cn3ccc(N(C)CCS(=O)(=O)c4ccc(C)cc4)cc3n2)cc1.O=C1CCC(N2C(=O)c3ccc(O)cc3C2=O)C(=O)N1
InChIInChI=1S/C30H27N5O5.C24H25N3O2S.C13H10N2O5/c1-18-3-5-19(6-4-18)24-17-34-12-11-20(15-26(34)31-24)33(2)13-14-40-21-7-8-22-23(16-21)30(39)35(29(22)38)25-9-10-27(36)32-28(25)37;1-18-4-8-20(9-5-18)23-17-27-13-12-21(16-24(27)25-23)26(3)14-15-30(28,29)22-10-6-19(2)7-11-22;16-6-1-2-7-8(5-6)13(20)15(12(7)19)9-3-4-10(17)14-11(9)18/h3-8,11-12,15-17,25H,9-10,13-14H2,1-2H3,(H,32,36,37);4-13,16-17H,14-15H2,1-3H3;1-2,5,9,16H,3-4H2,(H,14,17,18)
InChIKeyCGFMZBWVUBLSPG-UHFFFAOYSA-N
MW1231.36 g/mol
LogP7.55
Rot. Bonds14

About 2-(2,6-dioxopiperidin-3-yl)-5-hydroxyisoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-[2-[methyl-[2-(4-methylphenyl)imidazo[1,2-a]pyridin-7-yl]amino]ethoxy]isoindole-1,3-dione;N-methyl-2-(4-methylphenyl)-N-[2-(4-methylphenyl)sulfonylethyl]imidazo[1,2-a]pyridin-7-amine

2-(2,6-dioxopiperidin-3-yl)-5-hydroxyisoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-[2-[methyl-[2-(4-methylphenyl)imidazo[1,2-a]pyridin-7-yl]amino]ethoxy]isoindole-1,3-dione;N-methyl-2-(4-methylphenyl)-N-[2-(4-methylphenyl)sulfonylethyl]imidazo[1,2-a]pyridin-7-amine (PubChem CID 167549773) has the molecular formula C67H62N10O12S and a molecular weight of 1231.36 g/mol. Its IUPAC name is 2-(2,6-dioxopiperidin-3-yl)-5-hydroxyisoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-[2-[methyl-[2-(4-methylphenyl)imidazo[1,2-a]pyridin-7-yl]amino]ethoxy]isoindole-1,3-dione;N-methyl-2-(4-methylphenyl)-N-[2-(4-methylphenyl)sulfonylethyl]imidazo[1,2-a]pyridin-7-amine.

Molecular Properties

Compound Name2-(2,6-dioxopiperidin-3-yl)-5-hydroxyisoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-[2-[methyl-[2-(4-methylphenyl)imidazo[1,2-a]pyridin-7-yl]amino]ethoxy]isoindole-1,3-dione;N-methyl-2-(4-methylphenyl)-N-[2-(4-methylphenyl)sulfonylethyl]imidazo[1,2-a]pyridin-7-amine
PubChem CID167549773
Molecular FormulaC67H62N10O12S
Molecular Weight1231.36 g/mol
Exact Mass1230.43
IUPAC Name2-(2,6-dioxopiperidin-3-yl)-5-hydroxyisoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-[2-[methyl-[2-(4-methylphenyl)imidazo[1,2-a]pyridin-7-yl]amino]ethoxy]isoindole-1,3-dione;N-methyl-2-(4-methylphenyl)-N-[2-(4-methylphenyl)sulfonylethyl]imidazo[1,2-a]pyridin-7-amine
SMILESCc1ccc(-c2cn3ccc(N(C)CCOc4ccc5c(c4)C(=O)N(C4CCC(=O)NC4=O)C5=O)cc3n2)cc1.Cc1ccc(-c2cn3ccc(N(C)CCS(=O)(=O)c4ccc(C)cc4)cc3n2)cc1.O=C1CCC(N2C(=O)c3ccc(O)cc3C2=O)C(=O)N1
InChIInChI=1S/C30H27N5O5.C24H25N3O2S.C13H10N2O5/c1-18-3-5-19(6-4-18)24-17-34-12-11-20(15-26(34)31-24)33(2)13-14-40-21-7-8-22-23(16-21)30(39)35(29(22)38)25-9-10-27(36)32-28(25)37;1-18-4-8-20(9-5-18)23-17-27-13-12-21(16-24(27)25-23)26(3)14-15-30(28,29)22-10-6-19(2)7-11-22;16-6-1-2-7-8(5-6)13(20)15(12(7)19)9-3-4-10(17)14-11(9)18/h3-8,11-12,15-17,25H,9-10,13-14H2,1-2H3,(H,32,36,37);4-13,16-17H,14-15H2,1-3H3;1-2,5,9,16H,3-4H2,(H,14,17,18)
InChIKeyCGFMZBWVUBLSPG-UHFFFAOYSA-N
XLogP7.55
TPSA271.78 Ų
H-Bond Donors3
H-Bond Acceptors18
Rotatable Bonds14
Heavy Atoms90
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001231.36
LogP ≤ 57.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 2-(2,6-dioxopiperidin-3-yl)-5-hydroxyisoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-[2-[methyl-[2-(4-methylphenyl)imidazo[1,2-a]pyridin-7-yl]amino]ethoxy]isoindole-1,3-dione;N-methyl-2-(4-methylphenyl)-N-[2-(4-methylphenyl)sulfonylethyl]imidazo[1,2-a]pyridin-7-amine with MolForge

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Related Compounds

US10994015, Example 286
CID 135157032
N-[1-[3-[2-[2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxyethoxy]ethoxy]ethyl-methylamino]phenyl]-5-fluorobenzimidazol-2-yl]-3-(trifluoromethyl)benzamide;2-(2,6-dioxopiperidin-3-yl)-5-hydroxyisoindole-1,3-dione;2-[2-[2-[3-[5-fluoro-2-[[3-(trifluoromethyl)benzoyl]amino]benzimidazol-1-yl]-N-methylanilino]ethoxy]ethoxy]ethyl 4-methylbenzenesulfonate
CID 157695340
1-[1'-[4-(1-Ethylimidazol-4-yl)-3-methylbenzoyl]-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-2,2,2-trifluoroethanone;[4-(2-methylpropylsulfonyl)phenyl]-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(4-propan-2-yloxyphenyl)methanone;2,2,2-trifluoro-1-[1'-[4-(1-hydroxycyclopentyl)-3-methylbenzoyl]-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone
CID 159119001
N-[5-[[4-[2-[2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxyethoxy]ethoxy]ethyl]piperazin-1-yl]methyl]-1-phenylbenzimidazol-2-yl]-3-(trifluoromethyl)benzamide;2-(2,6-dioxopiperidin-3-yl)-5-hydroxyisoindole-1,3-dione;2-[2-[2-[4-[[1-phenyl-2-[[3-(trifluoromethyl)benzoyl]amino]benzimidazol-5-yl]methyl]piperazin-1-yl]ethoxy]ethoxy]ethyl 4-methylbenzenesulfonate
CID 162024015
US10994015, Example 277
CID 156905998
US10994015, Example 281
CID 156906002
N-[[4-(6-methoxynaphthalen-2-yl)sulfonylphenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide;N-[[4-(4-morpholin-4-ylphenyl)sulfonylphenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide;N-[[4-(3-phenylphenyl)sulfonylphenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide
CID 90013440
2-(2,4-Dioxocyclohexyl)-5-[2-[4-[[4-[6-[[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]amino]-1-propan-2-ylimidazo[4,5-c]pyridin-2-yl]phenyl]methyl]piperazin-1-yl]ethoxy]isoindole-1,3-dione
CID 146888239
5-[2-(dimethylamino)ethoxy]-2-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-3H-isoindol-1-one;6-[2-(dimethylamino)ethoxy]-2-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-3H-isoindol-1-one;3-(2-hydroxyethyl)-2-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-3H-isoindol-1-one;molecular hydrogen
CID 157547822
2-(2,6-Dioxopiperidin-3-yl)-5-hydroxyisoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-[2-[4-[[4-[6-[[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]amino]-1-propan-2-ylimidazo[4,5-c]pyridin-2-yl]phenyl]methyl]piperazin-1-yl]ethoxy]isoindole-1,3-dione;2-[4-[[4-[6-[[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]amino]-1-propan-2-ylimidazo[4,5-c]pyridin-2-yl]phenyl]methyl]piperazin-1-yl]ethanol
CID 157661701
5-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-2-(1-methylpiperidin-4-yl)-6-propan-2-yloxyisoindole-1,3-dione;(2S)-4-[5-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-3-oxo-6-propan-2-yloxy-1H-isoindol-2-yl]pyrrolidine-2-carboxamide;6-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-2-piperidin-4-yl-5-propan-2-yloxy-3H-isoindol-1-one
CID 158026257
2-[2-[2-[2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethyl 4-methylbenzenesulfonate;2-(2,6-dioxopiperidin-3-yl)-5-[2-[2-[2-[2-[2-[(2S)-2-methyl-4-[6-[6-(1-methylcyclopropyl)oxy-3H-isoindol-1-yl]pyrimidin-4-yl]piperazin-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]isoindole-1,3-dione;methane;5-(1-methylcyclopropyl)oxy-3-[6-[(3S)-3-methylpiperazin-1-yl]pyrimidin-4-yl]-1H-isoindole
CID 158069235

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-5-hydroxyisoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-[2-[methyl-[2-(4-methylphenyl)imidazo[1,2-a]pyridin-7-yl]amino]ethoxy]isoindole-1,3-dione;N-methyl-2-(4-methylphenyl)-N-[2-(4-methylphenyl)sulfonylethyl]imidazo[1,2-a]pyridin-7-amine?
The IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-5-hydroxyisoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-[2-[methyl-[2-(4-methylphenyl)imidazo[1,2-a]pyridin-7-yl]amino]ethoxy]isoindole-1,3-dione;N-methyl-2-(4-methylphenyl)-N-[2-(4-methylphenyl)sulfonylethyl]imidazo[1,2-a]pyridin-7-amine (CID 167549773) is 2-(2,6-dioxopiperidin-3-yl)-5-hydroxyisoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-[2-[methyl-[2-(4-methylphenyl)imidazo[1,2-a]pyridin-7-yl]amino]ethoxy]isoindole-1,3-dione;N-methyl-2-(4-methylphenyl)-N-[2-(4-methylphenyl)sulfonylethyl]imidazo[1,2-a]pyridin-7-amine.
What is the SMILES notation for 2-(2,6-dioxopiperidin-3-yl)-5-hydroxyisoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-[2-[methyl-[2-(4-methylphenyl)imidazo[1,2-a]pyridin-7-yl]amino]ethoxy]isoindole-1,3-dione;N-methyl-2-(4-methylphenyl)-N-[2-(4-methylphenyl)sulfonylethyl]imidazo[1,2-a]pyridin-7-amine?
The canonical SMILES for 2-(2,6-dioxopiperidin-3-yl)-5-hydroxyisoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-[2-[methyl-[2-(4-methylphenyl)imidazo[1,2-a]pyridin-7-yl]amino]ethoxy]isoindole-1,3-dione;N-methyl-2-(4-methylphenyl)-N-[2-(4-methylphenyl)sulfonylethyl]imidazo[1,2-a]pyridin-7-amine is Cc1ccc(-c2cn3ccc(N(C)CCOc4ccc5c(c4)C(=O)N(C4CCC(=O)NC4=O)C5=O)cc3n2)cc1.Cc1ccc(-c2cn3ccc(N(C)CCS(=O)(=O)c4ccc(C)cc4)cc3n2)cc1.O=C1CCC(N2C(=O)c3ccc(O)cc3C2=O)C(=O)N1.
What is the InChIKey of 2-(2,6-dioxopiperidin-3-yl)-5-hydroxyisoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-[2-[methyl-[2-(4-methylphenyl)imidazo[1,2-a]pyridin-7-yl]amino]ethoxy]isoindole-1,3-dione;N-methyl-2-(4-methylphenyl)-N-[2-(4-methylphenyl)sulfonylethyl]imidazo[1,2-a]pyridin-7-amine?
The InChIKey is CGFMZBWVUBLSPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27N5O5.C24H25N3O2S.C13H10N2O5/c1-18-3-5-19(6-4-18)24-17-34-12-11-20(15-26(34)31-24)33(2)13-14-40-21-7-8-22-23(16-21)30(39)35(29(22)38)25-9-10-27(36)32-28(25)37;1-18-4-8-20(9-5-18)23-17-27-13-12-21(16-24(27)25-23)26(3)14-15-30(28,29)22-10-6-19(2)7-11-22;16-6-1-2-7-8(5-6)13(20)15(12(7)19)9-3-4-10(17)14-11(9)18/h3-8,11-12,15-17,25H,9-10,13-14H2,1-2H3,(H,32,36,37);4-13,16-17H,14-15H2,1-3H3;1-2,5,9,16H,3-4H2,(H,14,17,18).
What are the key properties of 2-(2,6-dioxopiperidin-3-yl)-5-hydroxyisoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-[2-[methyl-[2-(4-methylphenyl)imidazo[1,2-a]pyridin-7-yl]amino]ethoxy]isoindole-1,3-dione;N-methyl-2-(4-methylphenyl)-N-[2-(4-methylphenyl)sulfonylethyl]imidazo[1,2-a]pyridin-7-amine?
2-(2,6-dioxopiperidin-3-yl)-5-hydroxyisoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-[2-[methyl-[2-(4-methylphenyl)imidazo[1,2-a]pyridin-7-yl]amino]ethoxy]isoindole-1,3-dione;N-methyl-2-(4-methylphenyl)-N-[2-(4-methylphenyl)sulfonylethyl]imidazo[1,2-a]pyridin-7-amine has a molecular weight of 1231.36 g/mol, XLogP of 7.55, 14 rotatable bonds, 3 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dioxopiperidin-3-yl)-5-hydroxyisoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-[2-[methyl-[2-(4-methylphenyl)imidazo[1,2-a]pyridin-7-yl]amino]ethoxy]isoindole-1,3-dione;N-methyl-2-(4-methylphenyl)-N-[2-(4-methylphenyl)sulfonylethyl]imidazo[1,2-a]pyridin-7-amine is sourced from PubChem (CID 167549773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).