4-[[4-[(4-tert-butyltriazol-1-yl)methyl]phenyl]methoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-[[4-[(4,5-dimethylimidazol-1-yl)methyl]phenyl]methoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;formic acid;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[5-(morpholin-4-ylmethyl)-1,3-benzothiazol-2-yl]methoxy]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[3-(morpholin-4-ylmethyl)-1,2-oxazol-5-yl]methoxy]-3H-isoindol-1-one;2-[(3R)-6-methylidene-2-oxopiperidin-3-yl]-4-[[4-(morpholin-4-ylmethyl)phenyl]methoxy]-3H-isoindol-1-one;3-[[4-[[2-(6-methylidene-2-oxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]oxymethyl]phenyl]methyl]triazole-4-carboxamide;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[4-[(2,4,5-trimethylimidazol-1-yl)methyl]phenyl]methoxy]-3H-isoindol-1-one

C185H198N30O28S — CID 159741762

IUPAC4-[[4-[(4-tert-butyltriazol-1-yl)methyl]phenyl]methoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-[[4-[(4,5-dimethylimidazol-1-yl)methyl]phenyl]methoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;formic acid;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[5-(morpholin-4-ylmethyl)-1,3-benzothiazol-2-yl]methoxy]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[3-(morpholin-4-ylmethyl)-1,2-oxazol-5-yl]methoxy]-3H-isoindol-1-one;2-[(3R)-6-methylidene-2-oxopiperidin-3-yl]-4-[[4-(morpholin-4-ylmethyl)phenyl]methoxy]-3H-isoindol-1-one;3-[[4-[[2-(6-methylidene-2-oxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]oxymethyl]phenyl]methyl]triazole-4-carboxamide;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[4-[(2,4,5-trimethylimidazol-1-yl)methyl]phenyl]methoxy]-3H-isoindol-1-one
SMILESC=C1CCC(N2Cc3c(OCc4cc(CN5CCOCC5)no4)cccc3C2=O)C(=O)N1.C=C1CCC(N2Cc3c(OCc4ccc(Cn5c(C)nc(C)c5C)cc4)cccc3C2=O)C(=O)N1.C=C1CCC(N2Cc3c(OCc4ccc(Cn5cc(C(C)(C)C)nn5)cc4)cccc3C2=O)C(=O)N1.C=C1CCC(N2Cc3c(OCc4ccc(Cn5cnc(C)c5C)cc4)cccc3C2=O)C(=O)N1.C=C1CCC(N2Cc3c(OCc4ccc(Cn5nncc5C(N)=O)cc4)cccc3C2=O)C(=O)N1.C=C1CCC(N2Cc3c(OCc4nc5cc(CN6CCOCC6)ccc5s4)cccc3C2=O)C(=O)N1.C=C1CC[C@@H](N2Cc3c(OCc4ccc(CN5CCOCC5)cc4)cccc3C2=O)C(=O)N1.O=CO
InChIInChI=1S/C28H31N5O3.C28H30N4O3.C27H28N4O4S.C27H28N4O3.C26H29N3O4.C25H24N6O4.C23H26N4O5.CH2O2/c1-18-8-13-23(26(34)29-18)33-15-22-21(27(33)35)6-5-7-24(22)36-17-20-11-9-19(10-12-20)14-32-16-25(30-31-32)28(2,3)4;1-17-8-13-25(27(33)29-17)32-15-24-23(28(32)34)6-5-7-26(24)35-16-22-11-9-21(10-12-22)14-31-19(3)18(2)30-20(31)4;1-17-5-7-22(26(32)28-17)31-15-20-19(27(31)33)3-2-4-23(20)35-16-25-29-21-13-18(6-8-24(21)36-25)14-30-9-11-34-12-10-30;1-17-7-12-24(26(32)29-17)31-14-23-22(27(31)33)5-4-6-25(23)34-15-21-10-8-20(9-11-21)13-30-16-28-18(2)19(30)3;1-18-5-10-23(25(30)27-18)29-16-22-21(26(29)31)3-2-4-24(22)33-17-20-8-6-19(7-9-20)15-28-11-13-32-14-12-28;1-15-5-10-20(24(33)28-15)30-13-19-18(25(30)34)3-2-4-22(19)35-14-17-8-6-16(7-9-17)12-31-21(23(26)32)11-27-29-31;1-15-5-6-20(22(28)24-15)27-13-19-18(23(27)29)3-2-4-21(19)31-14-17-11-16(25-32-17)12-26-7-9-30-10-8-26;2-1-3/h5-7,9-12,16,23H,1,8,13-15,17H2,2-4H3,(H,29,34);5-7,9-12,25H,1,8,13-16H2,2-4H3,(H,29,33);2-4,6,8,13,22H,1,5,7,9-12,14-16H2,(H,28,32);4-6,8-11,16,24H,1,7,12-15H2,2-3H3,(H,29,32);2-4,6-9,23H,1,5,10-17H2,(H,27,30);2-4,6-9,11,20H,1,5,10,12-14H2,(H2,26,32)(H,28,33);2-4,11,20H,1,5-10,12-14H2,(H,24,28);1H,(H,2,3)/t;;;;23-;;;/m....1.../s1
InChIKeyNCNWFWSVVRVUEN-AEHLALNISA-N
MW3321.87 g/mol
LogP21.60
Rot. Bonds43

About 4-[[4-[(4-tert-butyltriazol-1-yl)methyl]phenyl]methoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-[[4-[(4,5-dimethylimidazol-1-yl)methyl]phenyl]methoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;formic acid;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[5-(morpholin-4-ylmethyl)-1,3-benzothiazol-2-yl]methoxy]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[3-(morpholin-4-ylmethyl)-1,2-oxazol-5-yl]methoxy]-3H-isoindol-1-one;2-[(3R)-6-methylidene-2-oxopiperidin-3-yl]-4-[[4-(morpholin-4-ylmethyl)phenyl]methoxy]-3H-isoindol-1-one;3-[[4-[[2-(6-methylidene-2-oxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]oxymethyl]phenyl]methyl]triazole-4-carboxamide;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[4-[(2,4,5-trimethylimidazol-1-yl)methyl]phenyl]methoxy]-3H-isoindol-1-one

4-[[4-[(4-tert-butyltriazol-1-yl)methyl]phenyl]methoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-[[4-[(4,5-dimethylimidazol-1-yl)methyl]phenyl]methoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;formic acid;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[5-(morpholin-4-ylmethyl)-1,3-benzothiazol-2-yl]methoxy]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[3-(morpholin-4-ylmethyl)-1,2-oxazol-5-yl]methoxy]-3H-isoindol-1-one;2-[(3R)-6-methylidene-2-oxopiperidin-3-yl]-4-[[4-(morpholin-4-ylmethyl)phenyl]methoxy]-3H-isoindol-1-one;3-[[4-[[2-(6-methylidene-2-oxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]oxymethyl]phenyl]methyl]triazole-4-carboxamide;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[4-[(2,4,5-trimethylimidazol-1-yl)methyl]phenyl]methoxy]-3H-isoindol-1-one (PubChem CID 159741762) has the molecular formula C185H198N30O28S and a molecular weight of 3321.87 g/mol. Its IUPAC name is 4-[[4-[(4-tert-butyltriazol-1-yl)methyl]phenyl]methoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-[[4-[(4,5-dimethylimidazol-1-yl)methyl]phenyl]methoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;formic acid;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[5-(morpholin-4-ylmethyl)-1,3-benzothiazol-2-yl]methoxy]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[3-(morpholin-4-ylmethyl)-1,2-oxazol-5-yl]methoxy]-3H-isoindol-1-one;2-[(3R)-6-methylidene-2-oxopiperidin-3-yl]-4-[[4-(morpholin-4-ylmethyl)phenyl]methoxy]-3H-isoindol-1-one;3-[[4-[[2-(6-methylidene-2-oxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]oxymethyl]phenyl]methyl]triazole-4-carboxamide;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[4-[(2,4,5-trimethylimidazol-1-yl)methyl]phenyl]methoxy]-3H-isoindol-1-one.

Molecular Properties

Compound Name4-[[4-[(4-tert-butyltriazol-1-yl)methyl]phenyl]methoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-[[4-[(4,5-dimethylimidazol-1-yl)methyl]phenyl]methoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;formic acid;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[5-(morpholin-4-ylmethyl)-1,3-benzothiazol-2-yl]methoxy]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[3-(morpholin-4-ylmethyl)-1,2-oxazol-5-yl]methoxy]-3H-isoindol-1-one;2-[(3R)-6-methylidene-2-oxopiperidin-3-yl]-4-[[4-(morpholin-4-ylmethyl)phenyl]methoxy]-3H-isoindol-1-one;3-[[4-[[2-(6-methylidene-2-oxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]oxymethyl]phenyl]methyl]triazole-4-carboxamide;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[4-[(2,4,5-trimethylimidazol-1-yl)methyl]phenyl]methoxy]-3H-isoindol-1-one
PubChem CID159741762
Molecular FormulaC185H198N30O28S
Molecular Weight3321.87 g/mol
Exact Mass3319.47
IUPAC Name4-[[4-[(4-tert-butyltriazol-1-yl)methyl]phenyl]methoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-[[4-[(4,5-dimethylimidazol-1-yl)methyl]phenyl]methoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;formic acid;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[5-(morpholin-4-ylmethyl)-1,3-benzothiazol-2-yl]methoxy]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[3-(morpholin-4-ylmethyl)-1,2-oxazol-5-yl]methoxy]-3H-isoindol-1-one;2-[(3R)-6-methylidene-2-oxopiperidin-3-yl]-4-[[4-(morpholin-4-ylmethyl)phenyl]methoxy]-3H-isoindol-1-one;3-[[4-[[2-(6-methylidene-2-oxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]oxymethyl]phenyl]methyl]triazole-4-carboxamide;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[4-[(2,4,5-trimethylimidazol-1-yl)methyl]phenyl]methoxy]-3H-isoindol-1-one
SMILESC=C1CCC(N2Cc3c(OCc4cc(CN5CCOCC5)no4)cccc3C2=O)C(=O)N1.C=C1CCC(N2Cc3c(OCc4ccc(Cn5c(C)nc(C)c5C)cc4)cccc3C2=O)C(=O)N1.C=C1CCC(N2Cc3c(OCc4ccc(Cn5cc(C(C)(C)C)nn5)cc4)cccc3C2=O)C(=O)N1.C=C1CCC(N2Cc3c(OCc4ccc(Cn5cnc(C)c5C)cc4)cccc3C2=O)C(=O)N1.C=C1CCC(N2Cc3c(OCc4ccc(Cn5nncc5C(N)=O)cc4)cccc3C2=O)C(=O)N1.C=C1CCC(N2Cc3c(OCc4nc5cc(CN6CCOCC6)ccc5s4)cccc3C2=O)C(=O)N1.C=C1CC[C@@H](N2Cc3c(OCc4ccc(CN5CCOCC5)cc4)cccc3C2=O)C(=O)N1.O=CO
InChIInChI=1S/C28H31N5O3.C28H30N4O3.C27H28N4O4S.C27H28N4O3.C26H29N3O4.C25H24N6O4.C23H26N4O5.CH2O2/c1-18-8-13-23(26(34)29-18)33-15-22-21(27(33)35)6-5-7-24(22)36-17-20-11-9-19(10-12-20)14-32-16-25(30-31-32)28(2,3)4;1-17-8-13-25(27(33)29-17)32-15-24-23(28(32)34)6-5-7-26(24)35-16-22-11-9-21(10-12-22)14-31-19(3)18(2)30-20(31)4;1-17-5-7-22(26(32)28-17)31-15-20-19(27(31)33)3-2-4-23(20)35-16-25-29-21-13-18(6-8-24(21)36-25)14-30-9-11-34-12-10-30;1-17-7-12-24(26(32)29-17)31-14-23-22(27(31)33)5-4-6-25(23)34-15-21-10-8-20(9-11-21)13-30-16-28-18(2)19(30)3;1-18-5-10-23(25(30)27-18)29-16-22-21(26(29)31)3-2-4-24(22)33-17-20-8-6-19(7-9-20)15-28-11-13-32-14-12-28;1-15-5-10-20(24(33)28-15)30-13-19-18(25(30)34)3-2-4-22(19)35-14-17-8-6-16(7-9-17)12-31-21(23(26)32)11-27-29-31;1-15-5-6-20(22(28)24-15)27-13-19-18(23(27)29)3-2-4-21(19)31-14-17-11-16(25-32-17)12-26-7-9-30-10-8-26;2-1-3/h5-7,9-12,16,23H,1,8,13-15,17H2,2-4H3,(H,29,34);5-7,9-12,25H,1,8,13-16H2,2-4H3,(H,29,33);2-4,6,8,13,22H,1,5,7,9-12,14-16H2,(H,28,32);4-6,8-11,16,24H,1,7,12-15H2,2-3H3,(H,29,32);2-4,6-9,23H,1,5,10-17H2,(H,27,30);2-4,6-9,11,20H,1,5,10,12-14H2,(H2,26,32)(H,28,33);2-4,11,20H,1,5-10,12-14H2,(H,24,28);1H,(H,2,3)/t;;;;23-;;;/m....1.../s1
InChIKeyNCNWFWSVVRVUEN-AEHLALNISA-N
XLogP21.60
TPSA664.26 Ų
H-Bond Donors9
H-Bond Acceptors43
Rotatable Bonds43
Heavy Atoms244
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003321.87
LogP ≤ 521.60
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1043

Computed Properties (RDKit)

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

Analyze 4-[[4-[(4-tert-butyltriazol-1-yl)methyl]phenyl]methoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-[[4-[(4,5-dimethylimidazol-1-yl)methyl]phenyl]methoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;formic acid;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[5-(morpholin-4-ylmethyl)-1,3-benzothiazol-2-yl]methoxy]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[3-(morpholin-4-ylmethyl)-1,2-oxazol-5-yl]methoxy]-3H-isoindol-1-one;2-[(3R)-6-methylidene-2-oxopiperidin-3-yl]-4-[[4-(morpholin-4-ylmethyl)phenyl]methoxy]-3H-isoindol-1-one;3-[[4-[[2-(6-methylidene-2-oxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]oxymethyl]phenyl]methyl]triazole-4-carboxamide;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[4-[(2,4,5-trimethylimidazol-1-yl)methyl]phenyl]methoxy]-3H-isoindol-1-one with MolForge

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Launch Full Analysis

Related Compounds

4-[7-[[4-[(4,5-dimethylimidazol-1-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;1-[[4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]oxymethyl]phenyl]methyl]triazole-4-carboxamide;3-[[4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]oxymethyl]phenyl]methyl]triazole-4-carboxamide;4-[7-[[5-(morpholin-4-ylmethyl)-1,3-benzothiazol-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;3-[7-[[3-(morpholin-4-ylmethyl)-1,2-oxazol-5-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;(4R)-4-[7-[[4-(morpholin-4-ylmethyl)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[3-oxo-7-[[3-[(4-phenylpiperidin-1-yl)methyl]phenyl]methoxy]-1H-isoindol-2-yl]cyclohexane-1,3-dione
CID 157109114
3-[7-[[2-amino-3-(morpholin-4-ylmethyl)-2H-pyrrol-5-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;4-[7-[[4-(3,5-dihydro-2H-1,4-benzoxazepin-4-ylmethyl)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[[4-(7,8-dihydro-5H-1,6-naphthyridin-6-ylmethyl)phenyl]methoxy]-2-(2,4-dioxocyclohexyl)isoindole-1,3-dione;2-(2,4-dioxocyclohexyl)-4-[[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]methoxy]isoindole-1,3-dione;formic acid;4-[7-[[3-[(4-methylpiperidin-1-yl)methyl]-1,2-oxazol-5-yl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[3-oxo-7-[[4-[(4-phenylimidazol-1-yl)methyl]phenyl]methoxy]-1H-isoindol-2-yl]cyclohexane-1,3-dione
CID 157282886
benzene;3-tert-butyl-1,2-benzoxazole;4-tert-butyl-1,2-benzoxazole;5-tert-butyl-1,3-benzoxazole;6-tert-butyl-1,2-benzoxazole;1-tert-butylimidazo[1,5-a]pyridine;5-tert-butyl-3H-pyrazolo[1,5-a]pyridin-8-ium;2-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole;undecakis(2,2-dimethylpropane);1-(2,2-dimethylpropyl)indazole;furo[2,3-b]pyridine;imidazo[1,2-a]pyridine;1H-imidazole;pyrazine;pyrazolo[1,5-a]pyridine;pyridazine;pyridine;1H-pyridin-2-one;pyrimidine;2H-pyrrole
CID 157369125
5-tert-butyl-1-benzofuran;6-tert-butyl-1-benzofuran;5-tert-butyl-1,3-benzothiazole;5-tert-butyl-1,2-benzoxazole;5-tert-butyl-1,3-benzoxazole;6-tert-butyl-1,3-benzoxazole;2-tert-butyl-5H-cyclopenta[b]pyridine;5-tert-butylfuro[2,3-b]pyridine;5-tert-butylfuro[3,2-b]pyridine;6-tert-butylimidazo[1,2-a]pyridine;7-tert-butylimidazo[1,2-a]pyridine;6-tert-butylimidazo[1,2-a]pyrimidine;6-tert-butyl-1H-indazole;5-tert-butyl-1H-indene;5-tert-butyl-2H-indene;6-tert-butyl-1H-indole;bis(6-tert-butyl-3H-indole);6-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine;6-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazine
CID 157425411
2-[8-[2-(1,3-benzothiazol-2-yl)acetyl]-3,4-dihydro-1H-isoquinolin-2-yl]-5-[3-[2-fluoro-4-[3-[4-[4-[4-[2-[2-[2-[[(2S)-1-[(2S,4R)-4-hydroxy-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-2-oxoethoxy]ethoxy]ethoxymethyl]triazol-1-yl]butanoyl]piperazin-1-yl]prop-1-ynyl]phenoxy]propyl]-1,3-thiazole-4-carboxylic acid;2-[8-[2-(1,3-benzothiazol-2-yl)acetyl]-3,4-dihydro-1H-isoquinolin-2-yl]-5-[3-[2-fluoro-4-[3-[4-[4-[4-[2-[2-[2-[[2-(6-methylidene-2-oxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]-2-oxoethoxy]ethoxy]ethoxymethyl]triazol-1-yl]butanoyl]piperazin-1-yl]prop-1-ynyl]phenoxy]propyl]-1,3-thiazole-4-carboxylic acid
CID 157827037
4-[5-(1,3-Benzothiazol-2-yl)-1,2,4-oxadiazol-3-yl]benzoic acid;4-[5-(6-ethyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]benzoic acid;4-[5-[(3-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]benzoic acid;4-[5-(6-methyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]benzoic acid;4-[5-(2-methylsulfanyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]benzoic acid;4-[5-(1-prop-1-en-2-ylpiperidin-4-yl)-1,2,4-oxadiazol-3-yl]benzoic acid
CID 158123117
5-(azetidin-3-yl)-3-methyl-1,2,4-oxadiazole;5-(1,3-benzothiazol-5-yl)-3-methyl-1,2,4-oxadiazole;cumene;5-cyclobutyl-3-methyl-1,2,4-oxadiazole;5-(cyclohexylmethyl)-3-methyl-1,2,4-oxadiazole;bis(5-cyclohexyl-3-methyl-1,2,4-oxadiazole);5-(2,3-dihydro-1-benzofuran-6-yl)-3-methyl-1,2,4-oxadiazole;3-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexan-1-one;bis(2-methyl-5-phenyl-1,3,4-oxadiazole);3-methyl-5-phenyl-1,2,4-oxadiazole;5-methyl-3-phenyl-1,2,4-oxadiazole;3-methyl-5-phenyl-1,2-oxazole;4-methyl-2-phenyl-1,3-oxazole;1-methyl-4-phenylpiperidine;4-(4-methylphenyl)-2H-pyrrole;4-methyl-1-phenyltriazole;3-methyl-5-pyridin-2-yl-1,2,4-oxadiazole;3-methyl-5-pyridin-3-yl-1,2,4-oxadiazole;3-methyl-5-pyrimidin-5-yl-1,2,4-oxadiazole;3-methyl-5-pyrrolidin-3-yl-1,2,4-oxadiazole;3-methyl-5-spiro[3.5]nonan-2-yl-1,2,4-oxadiazole;1-phenylethanone;propylbenzene;3-propyl-1H-indole
CID 158224333
1-[[4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]oxymethyl]phenyl]methyl]triazole-4-carboxamide;3-[[4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]oxymethyl]phenyl]methyl]triazole-4-carboxamide;4-[7-[[5-(morpholin-4-ylmethyl)-1,3-benzothiazol-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;(4R)-4-[7-[[4-(morpholin-4-ylmethyl)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione
CID 158260552
4-[7-[[4-[(4-tert-butyltriazol-1-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;(4R)-4-[7-[[4-[(4,5-dimethylimidazol-1-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;formic acid;(4R)-4-[7-[[5-(morpholin-4-ylmethyl)-1,3-benzothiazol-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;(4R)-4-[7-[[3-(morpholin-4-ylmethyl)-1,2-oxazol-5-yl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;(4R)-4-[7-[[4-(morpholin-4-ylmethyl)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[3-oxo-7-[[4-[(2,4,5-trimethylimidazol-1-yl)methyl]phenyl]methoxy]-1H-isoindol-2-yl]cyclohexane-1,3-dione
CID 158642905
3-tert-butylfuro[3,2-b]pyridine;ethane;5-propan-2-yl-1,3-benzodioxole;2-propan-2-yl-1-benzofuran;5-propan-2-yl-1-benzofuran;5-propan-2-yl-3H-1-benzofuran-2-one;5-propan-2-yl-3H-2-benzofuran-1-one;5-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1,2-benzoxazole;5-propan-2-yl-1,3-benzoxazole;6-propan-2-yl-1,2-benzoxazole;6-propan-2-yl-1,3-benzoxazole;6-propan-2-yl-3H-1,3-benzoxazol-2-one;5-propan-2-yl-2,3-dihydro-1-benzofuran;7-propan-2-yl-[1,2]oxazolo[4,5-b]pyridine;6-propan-2-yl-3H-[1,3]oxazolo[4,5-b]pyridin-2-one;2-propan-2-yl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine;2-propan-2-yl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine;5-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine;6-propan-2-yl-7H-[1,2,4]triazolo[4,3-a]pyrazin-8-one
CID 158857555
4-[7-[[4-[(4,5-dimethylimidazol-1-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;1-[[4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]oxymethyl]phenyl]methyl]triazole-4-carboxamide;3-[[4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]oxymethyl]phenyl]methyl]triazole-4-carboxamide;4-[7-[[5-(morpholin-4-ylmethyl)-1,3-benzothiazol-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;3-[7-[[3-(morpholin-4-ylmethyl)-1,2-oxazol-5-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;(4R)-4-[7-[[4-(morpholin-4-ylmethyl)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione
CID 159176053
4-[[4-(7,8-dihydro-5H-1,6-naphthyridin-6-ylmethyl)phenyl]methoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;formic acid;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-methyl-5-(morpholin-4-ylmethyl)pyrazol-3-yl]methoxy]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[3-[(4-methylpiperidin-1-yl)methyl]-1,2-oxazol-5-yl]methoxy]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[3-(morpholin-4-ylmethyl)imidazo[1,2-a]pyridin-6-yl]methoxy]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]methoxy]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[4-[(4-phenylimidazol-1-yl)methyl]phenyl]methoxy]-3H-isoindol-1-one
CID 159389416

Frequently Asked Questions

What is the IUPAC name of 4-[[4-[(4-tert-butyltriazol-1-yl)methyl]phenyl]methoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-[[4-[(4,5-dimethylimidazol-1-yl)methyl]phenyl]methoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;formic acid;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[5-(morpholin-4-ylmethyl)-1,3-benzothiazol-2-yl]methoxy]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[3-(morpholin-4-ylmethyl)-1,2-oxazol-5-yl]methoxy]-3H-isoindol-1-one;2-[(3R)-6-methylidene-2-oxopiperidin-3-yl]-4-[[4-(morpholin-4-ylmethyl)phenyl]methoxy]-3H-isoindol-1-one;3-[[4-[[2-(6-methylidene-2-oxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]oxymethyl]phenyl]methyl]triazole-4-carboxamide;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[4-[(2,4,5-trimethylimidazol-1-yl)methyl]phenyl]methoxy]-3H-isoindol-1-one?
The IUPAC name of 4-[[4-[(4-tert-butyltriazol-1-yl)methyl]phenyl]methoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-[[4-[(4,5-dimethylimidazol-1-yl)methyl]phenyl]methoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;formic acid;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[5-(morpholin-4-ylmethyl)-1,3-benzothiazol-2-yl]methoxy]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[3-(morpholin-4-ylmethyl)-1,2-oxazol-5-yl]methoxy]-3H-isoindol-1-one;2-[(3R)-6-methylidene-2-oxopiperidin-3-yl]-4-[[4-(morpholin-4-ylmethyl)phenyl]methoxy]-3H-isoindol-1-one;3-[[4-[[2-(6-methylidene-2-oxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]oxymethyl]phenyl]methyl]triazole-4-carboxamide;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[4-[(2,4,5-trimethylimidazol-1-yl)methyl]phenyl]methoxy]-3H-isoindol-1-one (CID 159741762) is 4-[[4-[(4-tert-butyltriazol-1-yl)methyl]phenyl]methoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-[[4-[(4,5-dimethylimidazol-1-yl)methyl]phenyl]methoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;formic acid;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[5-(morpholin-4-ylmethyl)-1,3-benzothiazol-2-yl]methoxy]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[3-(morpholin-4-ylmethyl)-1,2-oxazol-5-yl]methoxy]-3H-isoindol-1-one;2-[(3R)-6-methylidene-2-oxopiperidin-3-yl]-4-[[4-(morpholin-4-ylmethyl)phenyl]methoxy]-3H-isoindol-1-one;3-[[4-[[2-(6-methylidene-2-oxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]oxymethyl]phenyl]methyl]triazole-4-carboxamide;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[4-[(2,4,5-trimethylimidazol-1-yl)methyl]phenyl]methoxy]-3H-isoindol-1-one.
What is the SMILES notation for 4-[[4-[(4-tert-butyltriazol-1-yl)methyl]phenyl]methoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-[[4-[(4,5-dimethylimidazol-1-yl)methyl]phenyl]methoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;formic acid;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[5-(morpholin-4-ylmethyl)-1,3-benzothiazol-2-yl]methoxy]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[3-(morpholin-4-ylmethyl)-1,2-oxazol-5-yl]methoxy]-3H-isoindol-1-one;2-[(3R)-6-methylidene-2-oxopiperidin-3-yl]-4-[[4-(morpholin-4-ylmethyl)phenyl]methoxy]-3H-isoindol-1-one;3-[[4-[[2-(6-methylidene-2-oxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]oxymethyl]phenyl]methyl]triazole-4-carboxamide;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[4-[(2,4,5-trimethylimidazol-1-yl)methyl]phenyl]methoxy]-3H-isoindol-1-one?
The canonical SMILES for 4-[[4-[(4-tert-butyltriazol-1-yl)methyl]phenyl]methoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-[[4-[(4,5-dimethylimidazol-1-yl)methyl]phenyl]methoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;formic acid;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[5-(morpholin-4-ylmethyl)-1,3-benzothiazol-2-yl]methoxy]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[3-(morpholin-4-ylmethyl)-1,2-oxazol-5-yl]methoxy]-3H-isoindol-1-one;2-[(3R)-6-methylidene-2-oxopiperidin-3-yl]-4-[[4-(morpholin-4-ylmethyl)phenyl]methoxy]-3H-isoindol-1-one;3-[[4-[[2-(6-methylidene-2-oxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]oxymethyl]phenyl]methyl]triazole-4-carboxamide;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[4-[(2,4,5-trimethylimidazol-1-yl)methyl]phenyl]methoxy]-3H-isoindol-1-one is C=C1CCC(N2Cc3c(OCc4cc(CN5CCOCC5)no4)cccc3C2=O)C(=O)N1.C=C1CCC(N2Cc3c(OCc4ccc(Cn5c(C)nc(C)c5C)cc4)cccc3C2=O)C(=O)N1.C=C1CCC(N2Cc3c(OCc4ccc(Cn5cc(C(C)(C)C)nn5)cc4)cccc3C2=O)C(=O)N1.C=C1CCC(N2Cc3c(OCc4ccc(Cn5cnc(C)c5C)cc4)cccc3C2=O)C(=O)N1.C=C1CCC(N2Cc3c(OCc4ccc(Cn5nncc5C(N)=O)cc4)cccc3C2=O)C(=O)N1.C=C1CCC(N2Cc3c(OCc4nc5cc(CN6CCOCC6)ccc5s4)cccc3C2=O)C(=O)N1.C=C1CC[C@@H](N2Cc3c(OCc4ccc(CN5CCOCC5)cc4)cccc3C2=O)C(=O)N1.O=CO.
What is the InChIKey of 4-[[4-[(4-tert-butyltriazol-1-yl)methyl]phenyl]methoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-[[4-[(4,5-dimethylimidazol-1-yl)methyl]phenyl]methoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;formic acid;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[5-(morpholin-4-ylmethyl)-1,3-benzothiazol-2-yl]methoxy]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[3-(morpholin-4-ylmethyl)-1,2-oxazol-5-yl]methoxy]-3H-isoindol-1-one;2-[(3R)-6-methylidene-2-oxopiperidin-3-yl]-4-[[4-(morpholin-4-ylmethyl)phenyl]methoxy]-3H-isoindol-1-one;3-[[4-[[2-(6-methylidene-2-oxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]oxymethyl]phenyl]methyl]triazole-4-carboxamide;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[4-[(2,4,5-trimethylimidazol-1-yl)methyl]phenyl]methoxy]-3H-isoindol-1-one?
The InChIKey is NCNWFWSVVRVUEN-AEHLALNISA-N. The full InChI is InChI=1S/C28H31N5O3.C28H30N4O3.C27H28N4O4S.C27H28N4O3.C26H29N3O4.C25H24N6O4.C23H26N4O5.CH2O2/c1-18-8-13-23(26(34)29-18)33-15-22-21(27(33)35)6-5-7-24(22)36-17-20-11-9-19(10-12-20)14-32-16-25(30-31-32)28(2,3)4;1-17-8-13-25(27(33)29-17)32-15-24-23(28(32)34)6-5-7-26(24)35-16-22-11-9-21(10-12-22)14-31-19(3)18(2)30-20(31)4;1-17-5-7-22(26(32)28-17)31-15-20-19(27(31)33)3-2-4-23(20)35-16-25-29-21-13-18(6-8-24(21)36-25)14-30-9-11-34-12-10-30;1-17-7-12-24(26(32)29-17)31-14-23-22(27(31)33)5-4-6-25(23)34-15-21-10-8-20(9-11-21)13-30-16-28-18(2)19(30)3;1-18-5-10-23(25(30)27-18)29-16-22-21(26(29)31)3-2-4-24(22)33-17-20-8-6-19(7-9-20)15-28-11-13-32-14-12-28;1-15-5-10-20(24(33)28-15)30-13-19-18(25(30)34)3-2-4-22(19)35-14-17-8-6-16(7-9-17)12-31-21(23(26)32)11-27-29-31;1-15-5-6-20(22(28)24-15)27-13-19-18(23(27)29)3-2-4-21(19)31-14-17-11-16(25-32-17)12-26-7-9-30-10-8-26;2-1-3/h5-7,9-12,16,23H,1,8,13-15,17H2,2-4H3,(H,29,34);5-7,9-12,25H,1,8,13-16H2,2-4H3,(H,29,33);2-4,6,8,13,22H,1,5,7,9-12,14-16H2,(H,28,32);4-6,8-11,16,24H,1,7,12-15H2,2-3H3,(H,29,32);2-4,6-9,23H,1,5,10-17H2,(H,27,30);2-4,6-9,11,20H,1,5,10,12-14H2,(H2,26,32)(H,28,33);2-4,11,20H,1,5-10,12-14H2,(H,24,28);1H,(H,2,3)/t;;;;23-;;;/m....1.../s1.
What are the key properties of 4-[[4-[(4-tert-butyltriazol-1-yl)methyl]phenyl]methoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-[[4-[(4,5-dimethylimidazol-1-yl)methyl]phenyl]methoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;formic acid;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[5-(morpholin-4-ylmethyl)-1,3-benzothiazol-2-yl]methoxy]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[3-(morpholin-4-ylmethyl)-1,2-oxazol-5-yl]methoxy]-3H-isoindol-1-one;2-[(3R)-6-methylidene-2-oxopiperidin-3-yl]-4-[[4-(morpholin-4-ylmethyl)phenyl]methoxy]-3H-isoindol-1-one;3-[[4-[[2-(6-methylidene-2-oxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]oxymethyl]phenyl]methyl]triazole-4-carboxamide;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[4-[(2,4,5-trimethylimidazol-1-yl)methyl]phenyl]methoxy]-3H-isoindol-1-one?
4-[[4-[(4-tert-butyltriazol-1-yl)methyl]phenyl]methoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-[[4-[(4,5-dimethylimidazol-1-yl)methyl]phenyl]methoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;formic acid;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[5-(morpholin-4-ylmethyl)-1,3-benzothiazol-2-yl]methoxy]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[3-(morpholin-4-ylmethyl)-1,2-oxazol-5-yl]methoxy]-3H-isoindol-1-one;2-[(3R)-6-methylidene-2-oxopiperidin-3-yl]-4-[[4-(morpholin-4-ylmethyl)phenyl]methoxy]-3H-isoindol-1-one;3-[[4-[[2-(6-methylidene-2-oxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]oxymethyl]phenyl]methyl]triazole-4-carboxamide;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[4-[(2,4,5-trimethylimidazol-1-yl)methyl]phenyl]methoxy]-3H-isoindol-1-one has a molecular weight of 3321.87 g/mol, XLogP of 21.60, 43 rotatable bonds, 9 hydrogen bond donors, and 43 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[(4-tert-butyltriazol-1-yl)methyl]phenyl]methoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-[[4-[(4,5-dimethylimidazol-1-yl)methyl]phenyl]methoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;formic acid;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[5-(morpholin-4-ylmethyl)-1,3-benzothiazol-2-yl]methoxy]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[3-(morpholin-4-ylmethyl)-1,2-oxazol-5-yl]methoxy]-3H-isoindol-1-one;2-[(3R)-6-methylidene-2-oxopiperidin-3-yl]-4-[[4-(morpholin-4-ylmethyl)phenyl]methoxy]-3H-isoindol-1-one;3-[[4-[[2-(6-methylidene-2-oxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]oxymethyl]phenyl]methyl]triazole-4-carboxamide;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[4-[(2,4,5-trimethylimidazol-1-yl)methyl]phenyl]methoxy]-3H-isoindol-1-one is sourced from PubChem (CID 159741762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).