5-[4-[4-(hydroxymethyl)phenyl]-3-oxobutyl]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[4-[3-(2-methylimidazol-1-yl)phenyl]-3-oxobutyl]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[4-[3-(1-methylpyrazol-3-yl)phenyl]-3-oxobutyl]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[4-[3-(2-methylpyrazol-3-yl)phenyl]-3-oxobutyl]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[4-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-3-oxobutyl]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[4-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-3-oxobutyl]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[4-[3-(morpholin-4-ylmethyl)phenyl]-3-oxobutyl]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-oxo-4-[4-(pyridin-4-ylmethyl)phenyl]butyl]-3H-isoindol-1-one

C223H226N28O26S — CID 160595846

IUPAC5-[4-[4-(hydroxymethyl)phenyl]-3-oxobutyl]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[4-[3-(2-methylimidazol-1-yl)phenyl]-3-oxobutyl]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[4-[3-(1-methylpyrazol-3-yl)phenyl]-3-oxobutyl]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[4-[3-(2-methylpyrazol-3-yl)phenyl]-3-oxobutyl]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[4-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-3-oxobutyl]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[4-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-3-oxobutyl]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[4-[3-(morpholin-4-ylmethyl)phenyl]-3-oxobutyl]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-oxo-4-[4-(pyridin-4-ylmethyl)phenyl]butyl]-3H-isoindol-1-one
SMILESC=C1CCC(N2Cc3cc(CCC(=O)Cc4ccc(-c5nncn5C)cc4)ccc3C2=O)C(=O)N1.C=C1CCC(N2Cc3cc(CCC(=O)Cc4ccc(CO)cc4)ccc3C2=O)C(=O)N1.C=C1CCC(N2Cc3cc(CCC(=O)Cc4ccc(Cc5ccncc5)cc4)ccc3C2=O)C(=O)N1.C=C1CCC(N2Cc3cc(CCC(=O)Cc4cccc(-c5ccn(C)n5)c4)ccc3C2=O)C(=O)N1.C=C1CCC(N2Cc3cc(CCC(=O)Cc4cccc(-c5ccnn5C)c4)ccc3C2=O)C(=O)N1.C=C1CCC(N2Cc3cc(CCC(=O)Cc4cccc(-c5csc(C)n5)c4)ccc3C2=O)C(=O)N1.C=C1CCC(N2Cc3cc(CCC(=O)Cc4cccc(-n5ccnc5C)c4)ccc3C2=O)C(=O)N1.C=C1CCC(N2Cc3cc(CCC(=O)Cc4cccc(CN5CCOCC5)c4)ccc3C2=O)C(=O)N1
InChIInChI=1S/C30H29N3O3.C29H33N3O4.3C28H28N4O3.C28H27N3O3S.C27H27N5O3.C25H26N2O4/c1-20-2-11-28(29(35)32-20)33-19-25-17-22(8-10-27(25)30(33)36)7-9-26(34)18-23-5-3-21(4-6-23)16-24-12-14-31-15-13-24;1-20-5-10-27(28(34)30-20)32-19-24-16-21(7-9-26(24)29(32)35)6-8-25(33)17-22-3-2-4-23(15-22)18-31-11-13-36-14-12-31;1-18-6-11-26(27(34)29-18)32-17-22-14-19(8-10-24(22)28(32)35)7-9-23(33)16-20-4-3-5-21(15-20)25-12-13-31(2)30-25;1-18-6-11-26(27(34)30-18)32-17-22-14-19(8-10-24(22)28(32)35)7-9-23(33)16-20-4-3-5-21(15-20)25-12-13-29-31(25)2;1-18-6-11-26(27(34)30-18)32-17-22-14-20(8-10-25(22)28(32)35)7-9-24(33)16-21-4-3-5-23(15-21)31-13-12-29-19(31)2;1-17-6-11-26(27(33)29-17)31-15-22-12-19(8-10-24(22)28(31)34)7-9-23(32)14-20-4-3-5-21(13-20)25-16-35-18(2)30-25;1-17-3-12-24(26(34)29-17)32-15-21-13-18(7-11-23(21)27(32)35)6-10-22(33)14-19-4-8-20(9-5-19)25-30-28-16-31(25)2;1-16-2-11-23(24(30)26-16)27-14-20-12-17(8-10-22(20)25(27)31)7-9-21(29)13-18-3-5-19(15-28)6-4-18/h3-6,8,10,12-15,17,28H,1-2,7,9,11,16,18-19H2,(H,32,35);2-4,7,9,15-16,27H,1,5-6,8,10-14,17-19H2,(H,30,34);3-5,8,10,12-15,26H,1,6-7,9,11,16-17H2,2H3,(H,29,34);2*3-5,8,10,12-15,26H,1,6-7,9,11,16-17H2,2H3,(H,30,34);3-5,8,10,12-13,16,26H,1,6-7,9,11,14-15H2,2H3,(H,29,33);4-5,7-9,11,13,16,24H,1,3,6,10,12,14-15H2,2H3,(H,29,34);3-6,8,10,12,23,28H,1-2,7,9,11,13-15H2,(H,26,30)
InChIKeyRDPUIDCVQBQVEC-UHFFFAOYSA-N
MW3746.50 g/mol
LogP28.27
Rot. Bonds58

About 5-[4-[4-(hydroxymethyl)phenyl]-3-oxobutyl]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[4-[3-(2-methylimidazol-1-yl)phenyl]-3-oxobutyl]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[4-[3-(1-methylpyrazol-3-yl)phenyl]-3-oxobutyl]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[4-[3-(2-methylpyrazol-3-yl)phenyl]-3-oxobutyl]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[4-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-3-oxobutyl]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[4-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-3-oxobutyl]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[4-[3-(morpholin-4-ylmethyl)phenyl]-3-oxobutyl]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-oxo-4-[4-(pyridin-4-ylmethyl)phenyl]butyl]-3H-isoindol-1-one

5-[4-[4-(hydroxymethyl)phenyl]-3-oxobutyl]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[4-[3-(2-methylimidazol-1-yl)phenyl]-3-oxobutyl]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[4-[3-(1-methylpyrazol-3-yl)phenyl]-3-oxobutyl]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[4-[3-(2-methylpyrazol-3-yl)phenyl]-3-oxobutyl]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[4-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-3-oxobutyl]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[4-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-3-oxobutyl]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[4-[3-(morpholin-4-ylmethyl)phenyl]-3-oxobutyl]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-oxo-4-[4-(pyridin-4-ylmethyl)phenyl]butyl]-3H-isoindol-1-one (PubChem CID 160595846) has the molecular formula C223H226N28O26S and a molecular weight of 3746.50 g/mol. Its IUPAC name is 5-[4-[4-(hydroxymethyl)phenyl]-3-oxobutyl]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[4-[3-(2-methylimidazol-1-yl)phenyl]-3-oxobutyl]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[4-[3-(1-methylpyrazol-3-yl)phenyl]-3-oxobutyl]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[4-[3-(2-methylpyrazol-3-yl)phenyl]-3-oxobutyl]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[4-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-3-oxobutyl]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[4-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-3-oxobutyl]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[4-[3-(morpholin-4-ylmethyl)phenyl]-3-oxobutyl]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-oxo-4-[4-(pyridin-4-ylmethyl)phenyl]butyl]-3H-isoindol-1-one.

Molecular Properties

Compound Name5-[4-[4-(hydroxymethyl)phenyl]-3-oxobutyl]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[4-[3-(2-methylimidazol-1-yl)phenyl]-3-oxobutyl]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[4-[3-(1-methylpyrazol-3-yl)phenyl]-3-oxobutyl]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[4-[3-(2-methylpyrazol-3-yl)phenyl]-3-oxobutyl]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[4-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-3-oxobutyl]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[4-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-3-oxobutyl]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[4-[3-(morpholin-4-ylmethyl)phenyl]-3-oxobutyl]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-oxo-4-[4-(pyridin-4-ylmethyl)phenyl]butyl]-3H-isoindol-1-one
PubChem CID160595846
Molecular FormulaC223H226N28O26S
Molecular Weight3746.50 g/mol
Exact Mass3743.69
IUPAC Name5-[4-[4-(hydroxymethyl)phenyl]-3-oxobutyl]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[4-[3-(2-methylimidazol-1-yl)phenyl]-3-oxobutyl]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[4-[3-(1-methylpyrazol-3-yl)phenyl]-3-oxobutyl]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[4-[3-(2-methylpyrazol-3-yl)phenyl]-3-oxobutyl]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[4-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-3-oxobutyl]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[4-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-3-oxobutyl]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[4-[3-(morpholin-4-ylmethyl)phenyl]-3-oxobutyl]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-oxo-4-[4-(pyridin-4-ylmethyl)phenyl]butyl]-3H-isoindol-1-one
SMILESC=C1CCC(N2Cc3cc(CCC(=O)Cc4ccc(-c5nncn5C)cc4)ccc3C2=O)C(=O)N1.C=C1CCC(N2Cc3cc(CCC(=O)Cc4ccc(CO)cc4)ccc3C2=O)C(=O)N1.C=C1CCC(N2Cc3cc(CCC(=O)Cc4ccc(Cc5ccncc5)cc4)ccc3C2=O)C(=O)N1.C=C1CCC(N2Cc3cc(CCC(=O)Cc4cccc(-c5ccn(C)n5)c4)ccc3C2=O)C(=O)N1.C=C1CCC(N2Cc3cc(CCC(=O)Cc4cccc(-c5ccnn5C)c4)ccc3C2=O)C(=O)N1.C=C1CCC(N2Cc3cc(CCC(=O)Cc4cccc(-c5csc(C)n5)c4)ccc3C2=O)C(=O)N1.C=C1CCC(N2Cc3cc(CCC(=O)Cc4cccc(-n5ccnc5C)c4)ccc3C2=O)C(=O)N1.C=C1CCC(N2Cc3cc(CCC(=O)Cc4cccc(CN5CCOCC5)c4)ccc3C2=O)C(=O)N1
InChIInChI=1S/C30H29N3O3.C29H33N3O4.3C28H28N4O3.C28H27N3O3S.C27H27N5O3.C25H26N2O4/c1-20-2-11-28(29(35)32-20)33-19-25-17-22(8-10-27(25)30(33)36)7-9-26(34)18-23-5-3-21(4-6-23)16-24-12-14-31-15-13-24;1-20-5-10-27(28(34)30-20)32-19-24-16-21(7-9-26(24)29(32)35)6-8-25(33)17-22-3-2-4-23(15-22)18-31-11-13-36-14-12-31;1-18-6-11-26(27(34)29-18)32-17-22-14-19(8-10-24(22)28(32)35)7-9-23(33)16-20-4-3-5-21(15-20)25-12-13-31(2)30-25;1-18-6-11-26(27(34)30-18)32-17-22-14-19(8-10-24(22)28(32)35)7-9-23(33)16-20-4-3-5-21(15-20)25-12-13-29-31(25)2;1-18-6-11-26(27(34)30-18)32-17-22-14-20(8-10-25(22)28(32)35)7-9-24(33)16-21-4-3-5-23(15-21)31-13-12-29-19(31)2;1-17-6-11-26(27(33)29-17)31-15-22-12-19(8-10-24(22)28(31)34)7-9-23(32)14-20-4-3-5-21(13-20)25-16-35-18(2)30-25;1-17-3-12-24(26(34)29-17)32-15-21-13-18(7-11-23(21)27(32)35)6-10-22(33)14-19-4-8-20(9-5-19)25-30-28-16-31(25)2;1-16-2-11-23(24(30)26-16)27-14-20-12-17(8-10-22(20)25(27)31)7-9-21(29)13-18-3-5-19(15-28)6-4-18/h3-6,8,10,12-15,17,28H,1-2,7,9,11,16,18-19H2,(H,32,35);2-4,7,9,15-16,27H,1,5-6,8,10-14,17-19H2,(H,30,34);3-5,8,10,12-15,26H,1,6-7,9,11,16-17H2,2H3,(H,29,34);2*3-5,8,10,12-15,26H,1,6-7,9,11,16-17H2,2H3,(H,30,34);3-5,8,10,12-13,16,26H,1,6-7,9,11,14-15H2,2H3,(H,29,33);4-5,7-9,11,13,16,24H,1,3,6,10,12,14-15H2,2H3,(H,29,34);3-6,8,10,12,23,28H,1-2,7,9,11,13-15H2,(H,26,30)
InChIKeyRDPUIDCVQBQVEC-UHFFFAOYSA-N
XLogP28.27
TPSA674.49 Ų
H-Bond Donors9
H-Bond Acceptors39
Rotatable Bonds58
Heavy Atoms278
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003746.50
LogP ≤ 528.27
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1039

Analyze 5-[4-[4-(hydroxymethyl)phenyl]-3-oxobutyl]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[4-[3-(2-methylimidazol-1-yl)phenyl]-3-oxobutyl]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[4-[3-(1-methylpyrazol-3-yl)phenyl]-3-oxobutyl]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[4-[3-(2-methylpyrazol-3-yl)phenyl]-3-oxobutyl]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[4-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-3-oxobutyl]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[4-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-3-oxobutyl]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[4-[3-(morpholin-4-ylmethyl)phenyl]-3-oxobutyl]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-oxo-4-[4-(pyridin-4-ylmethyl)phenyl]butyl]-3H-isoindol-1-one with MolForge

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Related Compounds

8-[1-[Dihydroxy(methyl)-lambda4-sulfanyl]piperidin-4-yl]-6-(5-methyl-2-pyridin-4-yl-1,3-thiazol-4-yl)-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;6-(3,5-dimethyl-1-pyridin-3-ylpyrazol-4-yl)-2-[4-(piperidin-4-ylamino)anilino]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-6-[4-methyl-2-(1-methylpyrrol-2-yl)phenyl]-2-[4-(4-methylmorpholin-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;2-[4-[methyl(piperidin-4-yl)amino]anilino]-6-[2-(2-methyltetrazol-5-yl)phenyl]-8-phenylpyrido[2,3-d]pyrimidin-7-one
CID 158199794
N-[2-[2-(difluoromethyl)-5-fluorophenyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]-N,2-dimethyl-1,2,4-triazole-3-carboxamide;N-[2-[5-(difluoromethyl)-2-fluorophenyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;N-[2-[2-(difluoromethyl)phenyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]-1-methylpyrrole-2-carboxamide;N-[2-[2-(difluoromethyl)phenyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]-5-methyl-1,3-thiazole-4-carboxamide;N-[2-[2-(2-hydroxypropan-2-yl)phenyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;N-[2-[5-isocyano-2-(trifluoromethyl)phenyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide
CID 159327166
2-tert-butyl-N-[4-methyl-3-(8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl)phenyl]pyridine-4-carboxamide;bis(2-(2-cyanopropan-2-yl)-N-[4-methyl-3-(8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl)phenyl]pyridine-4-carboxamide);2-(1,1-difluoroethyl)-N-[4-methyl-3-(8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl)phenyl]pyridine-4-carboxamide;2-(2-hydroxypropan-2-yl)-N-[4-methyl-3-(8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl)phenyl]pyridine-4-carboxamide;N-[4-methyl-3-(8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl)phenyl]-2-propan-2-ylpyridine-4-carboxamide;N-[4-methyl-3-(4-morpholin-4-yl-1H-pyrazolo[5,4-d]pyrimidin-6-yl)phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(7-morpholin-4-yl-[1,3]thiazolo[5,4-d]pyrimidin-5-yl)phenyl]-3-(trifluoromethyl)benzamide
CID 159704095
4-[4-[[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]amino]thieno[2,3-d]pyrimidin-6-yl]-4-hydroxy-N,N-dimethylcyclohexane-1-carboxamide;6-(cyclohexen-1-yl)-2-methoxy-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;2-methoxy-1-[4-[8-[[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]amino]imidazo[1,2-a]pyrazin-3-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanone;[6-methyl-4-[[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]amino]pyrazolo[1,5-a]pyrazin-2-yl]-morpholin-4-ylmethanone
CID 165065223
(2S,4R)-1-[(2S)-2-acetamido-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide;(2S)-1-[(2S,4R)-4-hydroxy-2-[(3R)-3-[4-[4-(hydroxymethyl)thiadiazol-5-yl]phenyl]butanoyl]pyrrolidin-1-yl]-3-methyl-2-(4-methylimidazol-1-yl)butan-1-one;N-[(2S)-1-[(2S,4R)-4-hydroxy-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]acetamide;2-[(2S)-1-[(2S,4R)-4-hydroxy-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3H-isoindol-1-one;(2R)-1-[(2S,4R)-4-hydroxy-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-3-methyl-2-(1,2,4-triazin-3-yl)butan-1-one
CID 157227090
3-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]-N-[2-(dimethylamino)ethyl]benzamide;1-[3-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]phenyl]-4-hydroxybutan-1-one;[4-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]phenyl]methanol;[4-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]phenyl]methyl acetate;1-[3-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]phenyl]pent-4-en-1-one;2-butylsulfinyl-4-[4-[(dimethylamino)methyl]phenyl]-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;2-butylsulfinyl-4-(3-methyl-2-propan-2-ylimidazol-4-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;methane
CID 157337325
N-[(1S)-1-(2-carbamoylpiperidin-4-yl)propyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-[2-(hydroxymethyl)-4-pyridinyl]propyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1-methylsulfonylpyrrolo[2,3-b]pyridin-4-yl)methyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(2-methylsulfonyl-1,3-thiazol-4-yl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]pyrazolo[5,4-c]pyridine-4-carboxamide
CID 157371561
CID 157448307
CID 157448307
5-[4-[(2S,3S)-3-acetyl-2-(2H-tetrazol-5-yl)hexyl]phenyl]-1,3-dihydropyrrolo[2,3-b]pyridin-2-one;1-[2-[4-[(2S,3S)-3-acetyl-2-(2H-tetrazol-5-yl)hexyl]phenyl]ethyl]pyrrolidin-2-one;(3S)-3-[(1S)-2-[4-[2-(hydroxymethyl)-1,3-thiazol-5-yl]phenyl]-1-(2H-tetrazol-5-yl)ethyl]hexan-2-one;(3R)-3-[(1S)-2-[4-(3-methylbenzotriazol-5-yl)phenyl]-1-(2H-tetrazol-5-yl)ethyl]hexan-2-one;(3S)-3-[(1S)-2-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-1-(2H-tetrazol-5-yl)ethyl]hexan-2-one;(3S)-3-[(1S)-2-[4-(2-morpholin-4-ylethoxymethyl)phenyl]-1-(2H-tetrazol-5-yl)ethyl]hexan-2-one;(3S)-3-[(1S)-2-[4-[1-(pyridin-4-ylmethyl)pyrazol-4-yl]phenyl]-1-(2H-tetrazol-5-yl)ethyl]hexan-2-one
CID 157543720
CID 157661798
CID 157661798
5-[4-[4-(hydroxymethyl)phenyl]-3-oxobutyl]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[4-[3-(2-methylimidazol-1-yl)phenyl]-3-oxobutyl]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[4-[3-(2-methylpyrazol-3-yl)phenyl]-3-oxobutyl]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[4-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-3-oxobutyl]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[4-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-3-oxobutyl]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-oxo-4-[4-(pyridin-4-ylmethyl)phenyl]butyl]-3H-isoindol-1-one
CID 157700592
CID 157715871
CID 157715871

Frequently Asked Questions

What is the IUPAC name of 5-[4-[4-(hydroxymethyl)phenyl]-3-oxobutyl]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[4-[3-(2-methylimidazol-1-yl)phenyl]-3-oxobutyl]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[4-[3-(1-methylpyrazol-3-yl)phenyl]-3-oxobutyl]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[4-[3-(2-methylpyrazol-3-yl)phenyl]-3-oxobutyl]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[4-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-3-oxobutyl]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[4-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-3-oxobutyl]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[4-[3-(morpholin-4-ylmethyl)phenyl]-3-oxobutyl]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-oxo-4-[4-(pyridin-4-ylmethyl)phenyl]butyl]-3H-isoindol-1-one?
The IUPAC name of 5-[4-[4-(hydroxymethyl)phenyl]-3-oxobutyl]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[4-[3-(2-methylimidazol-1-yl)phenyl]-3-oxobutyl]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[4-[3-(1-methylpyrazol-3-yl)phenyl]-3-oxobutyl]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[4-[3-(2-methylpyrazol-3-yl)phenyl]-3-oxobutyl]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[4-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-3-oxobutyl]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[4-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-3-oxobutyl]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[4-[3-(morpholin-4-ylmethyl)phenyl]-3-oxobutyl]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-oxo-4-[4-(pyridin-4-ylmethyl)phenyl]butyl]-3H-isoindol-1-one (CID 160595846) is 5-[4-[4-(hydroxymethyl)phenyl]-3-oxobutyl]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[4-[3-(2-methylimidazol-1-yl)phenyl]-3-oxobutyl]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[4-[3-(1-methylpyrazol-3-yl)phenyl]-3-oxobutyl]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[4-[3-(2-methylpyrazol-3-yl)phenyl]-3-oxobutyl]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[4-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-3-oxobutyl]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[4-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-3-oxobutyl]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[4-[3-(morpholin-4-ylmethyl)phenyl]-3-oxobutyl]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-oxo-4-[4-(pyridin-4-ylmethyl)phenyl]butyl]-3H-isoindol-1-one.
What is the SMILES notation for 5-[4-[4-(hydroxymethyl)phenyl]-3-oxobutyl]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[4-[3-(2-methylimidazol-1-yl)phenyl]-3-oxobutyl]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[4-[3-(1-methylpyrazol-3-yl)phenyl]-3-oxobutyl]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[4-[3-(2-methylpyrazol-3-yl)phenyl]-3-oxobutyl]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[4-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-3-oxobutyl]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[4-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-3-oxobutyl]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[4-[3-(morpholin-4-ylmethyl)phenyl]-3-oxobutyl]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-oxo-4-[4-(pyridin-4-ylmethyl)phenyl]butyl]-3H-isoindol-1-one?
The canonical SMILES for 5-[4-[4-(hydroxymethyl)phenyl]-3-oxobutyl]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[4-[3-(2-methylimidazol-1-yl)phenyl]-3-oxobutyl]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[4-[3-(1-methylpyrazol-3-yl)phenyl]-3-oxobutyl]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[4-[3-(2-methylpyrazol-3-yl)phenyl]-3-oxobutyl]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[4-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-3-oxobutyl]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[4-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-3-oxobutyl]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[4-[3-(morpholin-4-ylmethyl)phenyl]-3-oxobutyl]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-oxo-4-[4-(pyridin-4-ylmethyl)phenyl]butyl]-3H-isoindol-1-one is C=C1CCC(N2Cc3cc(CCC(=O)Cc4ccc(-c5nncn5C)cc4)ccc3C2=O)C(=O)N1.C=C1CCC(N2Cc3cc(CCC(=O)Cc4ccc(CO)cc4)ccc3C2=O)C(=O)N1.C=C1CCC(N2Cc3cc(CCC(=O)Cc4ccc(Cc5ccncc5)cc4)ccc3C2=O)C(=O)N1.C=C1CCC(N2Cc3cc(CCC(=O)Cc4cccc(-c5ccn(C)n5)c4)ccc3C2=O)C(=O)N1.C=C1CCC(N2Cc3cc(CCC(=O)Cc4cccc(-c5ccnn5C)c4)ccc3C2=O)C(=O)N1.C=C1CCC(N2Cc3cc(CCC(=O)Cc4cccc(-c5csc(C)n5)c4)ccc3C2=O)C(=O)N1.C=C1CCC(N2Cc3cc(CCC(=O)Cc4cccc(-n5ccnc5C)c4)ccc3C2=O)C(=O)N1.C=C1CCC(N2Cc3cc(CCC(=O)Cc4cccc(CN5CCOCC5)c4)ccc3C2=O)C(=O)N1.
What is the InChIKey of 5-[4-[4-(hydroxymethyl)phenyl]-3-oxobutyl]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[4-[3-(2-methylimidazol-1-yl)phenyl]-3-oxobutyl]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[4-[3-(1-methylpyrazol-3-yl)phenyl]-3-oxobutyl]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[4-[3-(2-methylpyrazol-3-yl)phenyl]-3-oxobutyl]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[4-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-3-oxobutyl]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[4-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-3-oxobutyl]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[4-[3-(morpholin-4-ylmethyl)phenyl]-3-oxobutyl]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-oxo-4-[4-(pyridin-4-ylmethyl)phenyl]butyl]-3H-isoindol-1-one?
The InChIKey is RDPUIDCVQBQVEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29N3O3.C29H33N3O4.3C28H28N4O3.C28H27N3O3S.C27H27N5O3.C25H26N2O4/c1-20-2-11-28(29(35)32-20)33-19-25-17-22(8-10-27(25)30(33)36)7-9-26(34)18-23-5-3-21(4-6-23)16-24-12-14-31-15-13-24;1-20-5-10-27(28(34)30-20)32-19-24-16-21(7-9-26(24)29(32)35)6-8-25(33)17-22-3-2-4-23(15-22)18-31-11-13-36-14-12-31;1-18-6-11-26(27(34)29-18)32-17-22-14-19(8-10-24(22)28(32)35)7-9-23(33)16-20-4-3-5-21(15-20)25-12-13-31(2)30-25;1-18-6-11-26(27(34)30-18)32-17-22-14-19(8-10-24(22)28(32)35)7-9-23(33)16-20-4-3-5-21(15-20)25-12-13-29-31(25)2;1-18-6-11-26(27(34)30-18)32-17-22-14-20(8-10-25(22)28(32)35)7-9-24(33)16-21-4-3-5-23(15-21)31-13-12-29-19(31)2;1-17-6-11-26(27(33)29-17)31-15-22-12-19(8-10-24(22)28(31)34)7-9-23(32)14-20-4-3-5-21(13-20)25-16-35-18(2)30-25;1-17-3-12-24(26(34)29-17)32-15-21-13-18(7-11-23(21)27(32)35)6-10-22(33)14-19-4-8-20(9-5-19)25-30-28-16-31(25)2;1-16-2-11-23(24(30)26-16)27-14-20-12-17(8-10-22(20)25(27)31)7-9-21(29)13-18-3-5-19(15-28)6-4-18/h3-6,8,10,12-15,17,28H,1-2,7,9,11,16,18-19H2,(H,32,35);2-4,7,9,15-16,27H,1,5-6,8,10-14,17-19H2,(H,30,34);3-5,8,10,12-15,26H,1,6-7,9,11,16-17H2,2H3,(H,29,34);2*3-5,8,10,12-15,26H,1,6-7,9,11,16-17H2,2H3,(H,30,34);3-5,8,10,12-13,16,26H,1,6-7,9,11,14-15H2,2H3,(H,29,33);4-5,7-9,11,13,16,24H,1,3,6,10,12,14-15H2,2H3,(H,29,34);3-6,8,10,12,23,28H,1-2,7,9,11,13-15H2,(H,26,30).
What are the key properties of 5-[4-[4-(hydroxymethyl)phenyl]-3-oxobutyl]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[4-[3-(2-methylimidazol-1-yl)phenyl]-3-oxobutyl]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[4-[3-(1-methylpyrazol-3-yl)phenyl]-3-oxobutyl]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[4-[3-(2-methylpyrazol-3-yl)phenyl]-3-oxobutyl]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[4-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-3-oxobutyl]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[4-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-3-oxobutyl]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[4-[3-(morpholin-4-ylmethyl)phenyl]-3-oxobutyl]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-oxo-4-[4-(pyridin-4-ylmethyl)phenyl]butyl]-3H-isoindol-1-one?
5-[4-[4-(hydroxymethyl)phenyl]-3-oxobutyl]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[4-[3-(2-methylimidazol-1-yl)phenyl]-3-oxobutyl]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[4-[3-(1-methylpyrazol-3-yl)phenyl]-3-oxobutyl]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[4-[3-(2-methylpyrazol-3-yl)phenyl]-3-oxobutyl]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[4-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-3-oxobutyl]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[4-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-3-oxobutyl]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[4-[3-(morpholin-4-ylmethyl)phenyl]-3-oxobutyl]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-oxo-4-[4-(pyridin-4-ylmethyl)phenyl]butyl]-3H-isoindol-1-one has a molecular weight of 3746.50 g/mol, XLogP of 28.27, 58 rotatable bonds, 9 hydrogen bond donors, and 39 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[4-(hydroxymethyl)phenyl]-3-oxobutyl]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[4-[3-(2-methylimidazol-1-yl)phenyl]-3-oxobutyl]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[4-[3-(1-methylpyrazol-3-yl)phenyl]-3-oxobutyl]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[4-[3-(2-methylpyrazol-3-yl)phenyl]-3-oxobutyl]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[4-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-3-oxobutyl]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[4-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-3-oxobutyl]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[4-[3-(morpholin-4-ylmethyl)phenyl]-3-oxobutyl]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-oxo-4-[4-(pyridin-4-ylmethyl)phenyl]butyl]-3H-isoindol-1-one is sourced from PubChem (CID 160595846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).