5-[4-(aminomethyl)phenyl]-7-methyl-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;7-chloro-2-[(4-chlorophenyl)methyl]-5-[4-[(dimethylamino)methyl]phenyl]-3H-isoindol-1-one;6-chloro-3-oxo-2-[(4-phenoxyphenyl)methyl]-1H-isoindole-4-carbonitrile;2-[(4-chlorophenyl)methyl]-7-methyl-5-[4-(pyridin-4-ylmethyl)piperazin-1-yl]-3H-isoindol-1-one;5-[3-[(dimethylamino)methyl]phenyl]-7-methyl-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;5-[4-[3-(dimethylamino)propyl]piperazin-1-yl]-7-methyl-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;7-methyl-5-[3-(4-methylpiperazin-1-yl)propyl]-2-[(4-phenoxyphenyl)methyl]-3H-isoindol-1-one;7-methyl-5-[(1-phenylethylamino)methyl]-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;7-methyl-5-[4-(pyridin-3-ylmethyl)piperazin-1-yl]-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one

C231H230Cl4F15N25O16 — CID 159070543

IUPAC5-[4-(aminomethyl)phenyl]-7-methyl-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;7-chloro-2-[(4-chlorophenyl)methyl]-5-[4-[(dimethylamino)methyl]phenyl]-3H-isoindol-1-one;6-chloro-3-oxo-2-[(4-phenoxyphenyl)methyl]-1H-isoindole-4-carbonitrile;2-[(4-chlorophenyl)methyl]-7-methyl-5-[4-(pyridin-4-ylmethyl)piperazin-1-yl]-3H-isoindol-1-one;5-[3-[(dimethylamino)methyl]phenyl]-7-methyl-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;5-[4-[3-(dimethylamino)propyl]piperazin-1-yl]-7-methyl-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;7-methyl-5-[3-(4-methylpiperazin-1-yl)propyl]-2-[(4-phenoxyphenyl)methyl]-3H-isoindol-1-one;7-methyl-5-[(1-phenylethylamino)methyl]-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;7-methyl-5-[4-(pyridin-3-ylmethyl)piperazin-1-yl]-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one
SMILESCN(C)Cc1ccc(-c2cc(Cl)c3c(c2)CN(Cc2ccc(Cl)cc2)C3=O)cc1.Cc1cc(-c2ccc(CN)cc2)cc2c1C(=O)N(Cc1ccc(OC(F)(F)F)cc1)C2.Cc1cc(-c2cccc(CN(C)C)c2)cc2c1C(=O)N(Cc1ccc(OC(F)(F)F)cc1)C2.Cc1cc(CCCN2CCN(C)CC2)cc2c1C(=O)N(Cc1ccc(Oc3ccccc3)cc1)C2.Cc1cc(CNC(C)c2ccccc2)cc2c1C(=O)N(Cc1ccc(OC(F)(F)F)cc1)C2.Cc1cc(N2CCN(CCCN(C)C)CC2)cc2c1C(=O)N(Cc1ccc(OC(F)(F)F)cc1)C2.Cc1cc(N2CCN(Cc3cccnc3)CC2)cc2c1C(=O)N(Cc1ccc(OC(F)(F)F)cc1)C2.Cc1cc(N2CCN(Cc3ccncc3)CC2)cc2c1C(=O)N(Cc1ccc(Cl)cc1)C2.N#Cc1cc(Cl)cc2c1C(=O)N(Cc1ccc(Oc3ccccc3)cc1)C2
InChIInChI=1S/C30H35N3O2.C27H27F3N4O2.C26H27ClN4O.C26H33F3N4O2.2C26H25F3N2O2.C24H22Cl2N2O.C24H21F3N2O2.C22H15ClN2O2/c1-23-19-25(7-6-14-32-17-15-31(2)16-18-32)20-26-22-33(30(34)29(23)26)21-24-10-12-28(13-11-24)35-27-8-4-3-5-9-27;1-19-13-23(33-11-9-32(10-12-33)16-21-3-2-8-31-15-21)14-22-18-34(26(35)25(19)22)17-20-4-6-24(7-5-20)36-27(28,29)30;1-19-14-24(30-12-10-29(11-13-30)16-21-6-8-28-9-7-21)15-22-18-31(26(32)25(19)22)17-20-2-4-23(27)5-3-20;1-19-15-22(32-13-11-31(12-14-32)10-4-9-30(2)3)16-21-18-33(25(34)24(19)21)17-20-5-7-23(8-6-20)35-26(27,28)29;1-17-11-21(20-6-4-5-19(12-20)14-30(2)3)13-22-16-31(25(32)24(17)22)15-18-7-9-23(10-8-18)33-26(27,28)29;1-17-12-20(14-30-18(2)21-6-4-3-5-7-21)13-22-16-31(25(32)24(17)22)15-19-8-10-23(11-9-19)33-26(27,28)29;1-27(2)13-16-3-7-18(8-4-16)19-11-20-15-28(24(29)23(20)22(26)12-19)14-17-5-9-21(25)10-6-17;1-15-10-19(18-6-2-16(12-28)3-7-18)11-20-14-29(23(30)22(15)20)13-17-4-8-21(9-5-17)31-24(25,26)27;23-18-10-16(12-24)21-17(11-18)14-25(22(21)26)13-15-6-8-20(9-7-15)27-19-4-2-1-3-5-19/h3-5,8-13,19-20H,6-7,14-18,21-22H2,1-2H3;2-8,13-15H,9-12,16-18H2,1H3;2-9,14-15H,10-13,16-18H2,1H3;5-8,15-16H,4,9-14,17-18H2,1-3H3;4-13H,14-16H2,1-3H3;3-13,18,30H,14-16H2,1-2H3;3-12H,13-15H2,1-2H3;2-11H,12-14,28H2,1H3;1-11H,13-14H2
InChIKeyJZPBSQMDGCWRON-UHFFFAOYSA-N
MW4039.32 g/mol
LogP46.43
Rot. Bonds54

About 5-[4-(aminomethyl)phenyl]-7-methyl-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;7-chloro-2-[(4-chlorophenyl)methyl]-5-[4-[(dimethylamino)methyl]phenyl]-3H-isoindol-1-one;6-chloro-3-oxo-2-[(4-phenoxyphenyl)methyl]-1H-isoindole-4-carbonitrile;2-[(4-chlorophenyl)methyl]-7-methyl-5-[4-(pyridin-4-ylmethyl)piperazin-1-yl]-3H-isoindol-1-one;5-[3-[(dimethylamino)methyl]phenyl]-7-methyl-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;5-[4-[3-(dimethylamino)propyl]piperazin-1-yl]-7-methyl-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;7-methyl-5-[3-(4-methylpiperazin-1-yl)propyl]-2-[(4-phenoxyphenyl)methyl]-3H-isoindol-1-one;7-methyl-5-[(1-phenylethylamino)methyl]-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;7-methyl-5-[4-(pyridin-3-ylmethyl)piperazin-1-yl]-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one

5-[4-(aminomethyl)phenyl]-7-methyl-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;7-chloro-2-[(4-chlorophenyl)methyl]-5-[4-[(dimethylamino)methyl]phenyl]-3H-isoindol-1-one;6-chloro-3-oxo-2-[(4-phenoxyphenyl)methyl]-1H-isoindole-4-carbonitrile;2-[(4-chlorophenyl)methyl]-7-methyl-5-[4-(pyridin-4-ylmethyl)piperazin-1-yl]-3H-isoindol-1-one;5-[3-[(dimethylamino)methyl]phenyl]-7-methyl-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;5-[4-[3-(dimethylamino)propyl]piperazin-1-yl]-7-methyl-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;7-methyl-5-[3-(4-methylpiperazin-1-yl)propyl]-2-[(4-phenoxyphenyl)methyl]-3H-isoindol-1-one;7-methyl-5-[(1-phenylethylamino)methyl]-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;7-methyl-5-[4-(pyridin-3-ylmethyl)piperazin-1-yl]-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one (PubChem CID 159070543) has the molecular formula C231H230Cl4F15N25O16 and a molecular weight of 4039.32 g/mol. Its IUPAC name is 5-[4-(aminomethyl)phenyl]-7-methyl-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;7-chloro-2-[(4-chlorophenyl)methyl]-5-[4-[(dimethylamino)methyl]phenyl]-3H-isoindol-1-one;6-chloro-3-oxo-2-[(4-phenoxyphenyl)methyl]-1H-isoindole-4-carbonitrile;2-[(4-chlorophenyl)methyl]-7-methyl-5-[4-(pyridin-4-ylmethyl)piperazin-1-yl]-3H-isoindol-1-one;5-[3-[(dimethylamino)methyl]phenyl]-7-methyl-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;5-[4-[3-(dimethylamino)propyl]piperazin-1-yl]-7-methyl-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;7-methyl-5-[3-(4-methylpiperazin-1-yl)propyl]-2-[(4-phenoxyphenyl)methyl]-3H-isoindol-1-one;7-methyl-5-[(1-phenylethylamino)methyl]-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;7-methyl-5-[4-(pyridin-3-ylmethyl)piperazin-1-yl]-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one.

Molecular Properties

Compound Name5-[4-(aminomethyl)phenyl]-7-methyl-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;7-chloro-2-[(4-chlorophenyl)methyl]-5-[4-[(dimethylamino)methyl]phenyl]-3H-isoindol-1-one;6-chloro-3-oxo-2-[(4-phenoxyphenyl)methyl]-1H-isoindole-4-carbonitrile;2-[(4-chlorophenyl)methyl]-7-methyl-5-[4-(pyridin-4-ylmethyl)piperazin-1-yl]-3H-isoindol-1-one;5-[3-[(dimethylamino)methyl]phenyl]-7-methyl-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;5-[4-[3-(dimethylamino)propyl]piperazin-1-yl]-7-methyl-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;7-methyl-5-[3-(4-methylpiperazin-1-yl)propyl]-2-[(4-phenoxyphenyl)methyl]-3H-isoindol-1-one;7-methyl-5-[(1-phenylethylamino)methyl]-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;7-methyl-5-[4-(pyridin-3-ylmethyl)piperazin-1-yl]-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one
PubChem CID159070543
Molecular FormulaC231H230Cl4F15N25O16
Molecular Weight4039.32 g/mol
Exact Mass4034.65
IUPAC Name5-[4-(aminomethyl)phenyl]-7-methyl-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;7-chloro-2-[(4-chlorophenyl)methyl]-5-[4-[(dimethylamino)methyl]phenyl]-3H-isoindol-1-one;6-chloro-3-oxo-2-[(4-phenoxyphenyl)methyl]-1H-isoindole-4-carbonitrile;2-[(4-chlorophenyl)methyl]-7-methyl-5-[4-(pyridin-4-ylmethyl)piperazin-1-yl]-3H-isoindol-1-one;5-[3-[(dimethylamino)methyl]phenyl]-7-methyl-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;5-[4-[3-(dimethylamino)propyl]piperazin-1-yl]-7-methyl-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;7-methyl-5-[3-(4-methylpiperazin-1-yl)propyl]-2-[(4-phenoxyphenyl)methyl]-3H-isoindol-1-one;7-methyl-5-[(1-phenylethylamino)methyl]-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;7-methyl-5-[4-(pyridin-3-ylmethyl)piperazin-1-yl]-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one
SMILESCN(C)Cc1ccc(-c2cc(Cl)c3c(c2)CN(Cc2ccc(Cl)cc2)C3=O)cc1.Cc1cc(-c2ccc(CN)cc2)cc2c1C(=O)N(Cc1ccc(OC(F)(F)F)cc1)C2.Cc1cc(-c2cccc(CN(C)C)c2)cc2c1C(=O)N(Cc1ccc(OC(F)(F)F)cc1)C2.Cc1cc(CCCN2CCN(C)CC2)cc2c1C(=O)N(Cc1ccc(Oc3ccccc3)cc1)C2.Cc1cc(CNC(C)c2ccccc2)cc2c1C(=O)N(Cc1ccc(OC(F)(F)F)cc1)C2.Cc1cc(N2CCN(CCCN(C)C)CC2)cc2c1C(=O)N(Cc1ccc(OC(F)(F)F)cc1)C2.Cc1cc(N2CCN(Cc3cccnc3)CC2)cc2c1C(=O)N(Cc1ccc(OC(F)(F)F)cc1)C2.Cc1cc(N2CCN(Cc3ccncc3)CC2)cc2c1C(=O)N(Cc1ccc(Cl)cc1)C2.N#Cc1cc(Cl)cc2c1C(=O)N(Cc1ccc(Oc3ccccc3)cc1)C2
InChIInChI=1S/C30H35N3O2.C27H27F3N4O2.C26H27ClN4O.C26H33F3N4O2.2C26H25F3N2O2.C24H22Cl2N2O.C24H21F3N2O2.C22H15ClN2O2/c1-23-19-25(7-6-14-32-17-15-31(2)16-18-32)20-26-22-33(30(34)29(23)26)21-24-10-12-28(13-11-24)35-27-8-4-3-5-9-27;1-19-13-23(33-11-9-32(10-12-33)16-21-3-2-8-31-15-21)14-22-18-34(26(35)25(19)22)17-20-4-6-24(7-5-20)36-27(28,29)30;1-19-14-24(30-12-10-29(11-13-30)16-21-6-8-28-9-7-21)15-22-18-31(26(32)25(19)22)17-20-2-4-23(27)5-3-20;1-19-15-22(32-13-11-31(12-14-32)10-4-9-30(2)3)16-21-18-33(25(34)24(19)21)17-20-5-7-23(8-6-20)35-26(27,28)29;1-17-11-21(20-6-4-5-19(12-20)14-30(2)3)13-22-16-31(25(32)24(17)22)15-18-7-9-23(10-8-18)33-26(27,28)29;1-17-12-20(14-30-18(2)21-6-4-3-5-7-21)13-22-16-31(25(32)24(17)22)15-19-8-10-23(11-9-19)33-26(27,28)29;1-27(2)13-16-3-7-18(8-4-16)19-11-20-15-28(24(29)23(20)22(26)12-19)14-17-5-9-21(25)10-6-17;1-15-10-19(18-6-2-16(12-28)3-7-18)11-20-14-29(23(30)22(15)20)13-17-4-8-21(9-5-17)31-24(25,26)27;23-18-10-16(12-24)21-17(11-18)14-25(22(21)26)13-15-6-8-20(9-7-15)27-19-4-2-1-3-5-19/h3-5,8-13,19-20H,6-7,14-18,21-22H2,1-2H3;2-8,13-15H,9-12,16-18H2,1H3;2-9,14-15H,10-13,16-18H2,1H3;5-8,15-16H,4,9-14,17-18H2,1-3H3;4-13H,14-16H2,1-3H3;3-13,18,30H,14-16H2,1-2H3;3-12H,13-15H2,1-2H3;2-11H,12-14,28H2,1H3;1-11H,13-14H2
InChIKeyJZPBSQMDGCWRON-UHFFFAOYSA-N
XLogP46.43
TPSA370.66 Ų
H-Bond Donors2
H-Bond Acceptors32
Rotatable Bonds54
Heavy Atoms291
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004039.32
LogP ≤ 546.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1032

Analyze 5-[4-(aminomethyl)phenyl]-7-methyl-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;7-chloro-2-[(4-chlorophenyl)methyl]-5-[4-[(dimethylamino)methyl]phenyl]-3H-isoindol-1-one;6-chloro-3-oxo-2-[(4-phenoxyphenyl)methyl]-1H-isoindole-4-carbonitrile;2-[(4-chlorophenyl)methyl]-7-methyl-5-[4-(pyridin-4-ylmethyl)piperazin-1-yl]-3H-isoindol-1-one;5-[3-[(dimethylamino)methyl]phenyl]-7-methyl-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;5-[4-[3-(dimethylamino)propyl]piperazin-1-yl]-7-methyl-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;7-methyl-5-[3-(4-methylpiperazin-1-yl)propyl]-2-[(4-phenoxyphenyl)methyl]-3H-isoindol-1-one;7-methyl-5-[(1-phenylethylamino)methyl]-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;7-methyl-5-[4-(pyridin-3-ylmethyl)piperazin-1-yl]-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one with MolForge

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Related Compounds

CID 157336893
CID 157336893
CID 157806952
CID 157806952
CID 159007748
CID 159007748
5-[(benzylamino)methyl]-7-methyl-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;7-chloro-5-(4-pyridin-4-ylpiperazin-1-yl)-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;5-[(2,3-dihydro-1H-inden-2-ylamino)methyl]-7-methyl-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;7-methyl-5-[(2-phenylethylamino)methyl]-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;7-methyl-5-[(3-phenylpropylamino)methyl]-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;7-methyl-5-[(pyridin-3-ylmethylamino)methyl]-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;7-methyl-5-[(pyridin-4-ylmethylamino)methyl]-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one
CID 160216184
CID 160413209
CID 160413209
5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-7-chloro-2-[(4-chlorophenyl)methyl]-3H-isoindol-1-one;5-(4-benzylpiperazine-1-carbonyl)-7-methyl-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;7-chloro-2-[(4-chlorophenyl)methyl]-5-[3-(dimethylamino)pyrrolidin-1-yl]-3H-isoindol-1-one;7-chloro-2-[(4-chlorophenyl)methyl]-5-(4-methylpiperazin-1-yl)-3H-isoindol-1-one;5-chloro-2-[(4-ethylphenyl)methyl]-7-(trifluoromethyl)-3H-isoindol-1-one;7-chloro-5-(1,2,3,6-tetrahydropyridin-4-yl)-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;7-methyl-5-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;7-methyl-5-[4-(pyridin-4-ylmethyl)piperazine-1-carbonyl]-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;7-methyl-5-[4-(pyridin-4-ylmethyl)piperazin-1-yl]-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one
CID 160456748
5-[4-(4-chlorophenyl)-3-oxobutyl]-2-[(3S)-3-methyl-6-methylidene-2-oxopiperidin-3-yl]-3H-isoindol-1-one;5-[3-(3,4-dichlorophenyl)-3-oxopropyl]-2-[(3S)-3-methyl-6-methylidene-2-oxopiperidin-3-yl]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-(3-oxo-3-phenylpropyl)-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-oxo-3-[2-(trifluoromethyl)phenyl]propyl]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-oxo-3-[3-(trifluoromethyl)phenyl]propyl]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-oxo-3-[4-(trifluoromethyl)phenyl]propyl]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-oxo-3-[6-(trifluoromethyl)-3-pyridinyl]propyl]-3H-isoindol-1-one;2-[(3S)-3-methyl-6-methylidene-2-oxopiperidin-3-yl]-5-[3-oxo-3-[4-(trifluoromethoxy)phenyl]propyl]-3H-isoindol-1-one
CID 161312992
4-[[4-[[7-chloro-2-[(4-chlorophenyl)methyl]-1-oxo-3H-isoindol-5-yl]methyl]piperidin-1-yl]methyl]benzonitrile;4-[[4-[[7-chloro-1-oxo-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-5-yl]methyl]piperazin-1-yl]methyl]benzonitrile;7-chloro-2-(3-phenylpropyl)-5-[1-(pyridin-2-ylmethyl)pyrazol-4-yl]-3H-isoindol-1-one;7-chloro-2-(3-phenylpropyl)-5-[1-(pyridin-3-ylmethyl)pyrazol-4-yl]-3H-isoindol-1-one;7-chloro-2-(3-phenylpropyl)-5-[1-(pyridin-4-ylmethyl)pyrazol-4-yl]-3H-isoindol-1-one;2-[[4-(difluoromethoxy)phenyl]methyl]-7-methyl-5-pyridin-3-yl-3H-isoindol-1-one;5-ethyl-7-methyl-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;2-[(2-fluorophenyl)methyl]-7-methyl-5-pyridin-3-yl-3H-isoindol-1-one;2-[(3-fluorophenyl)methyl]-7-methyl-5-pyridin-3-yl-3H-isoindol-1-one;7-methyl-2-[(4-propan-2-ylphenyl)methyl]-5-pyridin-3-yl-3H-isoindol-1-one
CID 161444576
CID 161581142
CID 161581142
CID 162250940
CID 162250940
6-[(4-chloro-1,3-dihydroisoindol-2-yl)methyl]-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one;6-[(5-chloro-1,3-dihydroisoindol-2-yl)methyl]-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one;6-(5,7-dihydropyrrolo[3,4-b]pyridin-6-ylmethyl)-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one;6-[(5-fluoro-1,3-dihydroisoindol-2-yl)methyl]-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one;6-[(5-methoxy-1,3-dihydroisoindol-2-yl)methyl]-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one;6-[(7-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one;2-[[3-oxo-2-propan-2-yl-7-(trifluoromethyl)-1H-isoindol-5-yl]methyl]-1,3-dihydroisoindole-4-carbonitrile
CID 167567480
6-[(4-chloro-1,3-dihydroisoindol-2-yl)methyl]-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one;6-[(5-chloro-1,3-dihydroisoindol-2-yl)methyl]-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one;6-(5,7-dihydropyrrolo[3,4-b]pyridin-6-ylmethyl)-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one;6-[(7-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one;2-[[3-oxo-2-propan-2-yl-7-(trifluoromethyl)-1H-isoindol-5-yl]methyl]-1,3-dihydroisoindole-4-carbonitrile;6-[(3-phenylpyrrolidin-1-yl)methyl]-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one
CID 167671238

Frequently Asked Questions

What is the IUPAC name of 5-[4-(aminomethyl)phenyl]-7-methyl-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;7-chloro-2-[(4-chlorophenyl)methyl]-5-[4-[(dimethylamino)methyl]phenyl]-3H-isoindol-1-one;6-chloro-3-oxo-2-[(4-phenoxyphenyl)methyl]-1H-isoindole-4-carbonitrile;2-[(4-chlorophenyl)methyl]-7-methyl-5-[4-(pyridin-4-ylmethyl)piperazin-1-yl]-3H-isoindol-1-one;5-[3-[(dimethylamino)methyl]phenyl]-7-methyl-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;5-[4-[3-(dimethylamino)propyl]piperazin-1-yl]-7-methyl-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;7-methyl-5-[3-(4-methylpiperazin-1-yl)propyl]-2-[(4-phenoxyphenyl)methyl]-3H-isoindol-1-one;7-methyl-5-[(1-phenylethylamino)methyl]-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;7-methyl-5-[4-(pyridin-3-ylmethyl)piperazin-1-yl]-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one?
The IUPAC name of 5-[4-(aminomethyl)phenyl]-7-methyl-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;7-chloro-2-[(4-chlorophenyl)methyl]-5-[4-[(dimethylamino)methyl]phenyl]-3H-isoindol-1-one;6-chloro-3-oxo-2-[(4-phenoxyphenyl)methyl]-1H-isoindole-4-carbonitrile;2-[(4-chlorophenyl)methyl]-7-methyl-5-[4-(pyridin-4-ylmethyl)piperazin-1-yl]-3H-isoindol-1-one;5-[3-[(dimethylamino)methyl]phenyl]-7-methyl-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;5-[4-[3-(dimethylamino)propyl]piperazin-1-yl]-7-methyl-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;7-methyl-5-[3-(4-methylpiperazin-1-yl)propyl]-2-[(4-phenoxyphenyl)methyl]-3H-isoindol-1-one;7-methyl-5-[(1-phenylethylamino)methyl]-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;7-methyl-5-[4-(pyridin-3-ylmethyl)piperazin-1-yl]-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one (CID 159070543) is 5-[4-(aminomethyl)phenyl]-7-methyl-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;7-chloro-2-[(4-chlorophenyl)methyl]-5-[4-[(dimethylamino)methyl]phenyl]-3H-isoindol-1-one;6-chloro-3-oxo-2-[(4-phenoxyphenyl)methyl]-1H-isoindole-4-carbonitrile;2-[(4-chlorophenyl)methyl]-7-methyl-5-[4-(pyridin-4-ylmethyl)piperazin-1-yl]-3H-isoindol-1-one;5-[3-[(dimethylamino)methyl]phenyl]-7-methyl-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;5-[4-[3-(dimethylamino)propyl]piperazin-1-yl]-7-methyl-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;7-methyl-5-[3-(4-methylpiperazin-1-yl)propyl]-2-[(4-phenoxyphenyl)methyl]-3H-isoindol-1-one;7-methyl-5-[(1-phenylethylamino)methyl]-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;7-methyl-5-[4-(pyridin-3-ylmethyl)piperazin-1-yl]-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one.
What is the SMILES notation for 5-[4-(aminomethyl)phenyl]-7-methyl-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;7-chloro-2-[(4-chlorophenyl)methyl]-5-[4-[(dimethylamino)methyl]phenyl]-3H-isoindol-1-one;6-chloro-3-oxo-2-[(4-phenoxyphenyl)methyl]-1H-isoindole-4-carbonitrile;2-[(4-chlorophenyl)methyl]-7-methyl-5-[4-(pyridin-4-ylmethyl)piperazin-1-yl]-3H-isoindol-1-one;5-[3-[(dimethylamino)methyl]phenyl]-7-methyl-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;5-[4-[3-(dimethylamino)propyl]piperazin-1-yl]-7-methyl-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;7-methyl-5-[3-(4-methylpiperazin-1-yl)propyl]-2-[(4-phenoxyphenyl)methyl]-3H-isoindol-1-one;7-methyl-5-[(1-phenylethylamino)methyl]-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;7-methyl-5-[4-(pyridin-3-ylmethyl)piperazin-1-yl]-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one?
The canonical SMILES for 5-[4-(aminomethyl)phenyl]-7-methyl-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;7-chloro-2-[(4-chlorophenyl)methyl]-5-[4-[(dimethylamino)methyl]phenyl]-3H-isoindol-1-one;6-chloro-3-oxo-2-[(4-phenoxyphenyl)methyl]-1H-isoindole-4-carbonitrile;2-[(4-chlorophenyl)methyl]-7-methyl-5-[4-(pyridin-4-ylmethyl)piperazin-1-yl]-3H-isoindol-1-one;5-[3-[(dimethylamino)methyl]phenyl]-7-methyl-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;5-[4-[3-(dimethylamino)propyl]piperazin-1-yl]-7-methyl-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;7-methyl-5-[3-(4-methylpiperazin-1-yl)propyl]-2-[(4-phenoxyphenyl)methyl]-3H-isoindol-1-one;7-methyl-5-[(1-phenylethylamino)methyl]-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;7-methyl-5-[4-(pyridin-3-ylmethyl)piperazin-1-yl]-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one is CN(C)Cc1ccc(-c2cc(Cl)c3c(c2)CN(Cc2ccc(Cl)cc2)C3=O)cc1.Cc1cc(-c2ccc(CN)cc2)cc2c1C(=O)N(Cc1ccc(OC(F)(F)F)cc1)C2.Cc1cc(-c2cccc(CN(C)C)c2)cc2c1C(=O)N(Cc1ccc(OC(F)(F)F)cc1)C2.Cc1cc(CCCN2CCN(C)CC2)cc2c1C(=O)N(Cc1ccc(Oc3ccccc3)cc1)C2.Cc1cc(CNC(C)c2ccccc2)cc2c1C(=O)N(Cc1ccc(OC(F)(F)F)cc1)C2.Cc1cc(N2CCN(CCCN(C)C)CC2)cc2c1C(=O)N(Cc1ccc(OC(F)(F)F)cc1)C2.Cc1cc(N2CCN(Cc3cccnc3)CC2)cc2c1C(=O)N(Cc1ccc(OC(F)(F)F)cc1)C2.Cc1cc(N2CCN(Cc3ccncc3)CC2)cc2c1C(=O)N(Cc1ccc(Cl)cc1)C2.N#Cc1cc(Cl)cc2c1C(=O)N(Cc1ccc(Oc3ccccc3)cc1)C2.
What is the InChIKey of 5-[4-(aminomethyl)phenyl]-7-methyl-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;7-chloro-2-[(4-chlorophenyl)methyl]-5-[4-[(dimethylamino)methyl]phenyl]-3H-isoindol-1-one;6-chloro-3-oxo-2-[(4-phenoxyphenyl)methyl]-1H-isoindole-4-carbonitrile;2-[(4-chlorophenyl)methyl]-7-methyl-5-[4-(pyridin-4-ylmethyl)piperazin-1-yl]-3H-isoindol-1-one;5-[3-[(dimethylamino)methyl]phenyl]-7-methyl-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;5-[4-[3-(dimethylamino)propyl]piperazin-1-yl]-7-methyl-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;7-methyl-5-[3-(4-methylpiperazin-1-yl)propyl]-2-[(4-phenoxyphenyl)methyl]-3H-isoindol-1-one;7-methyl-5-[(1-phenylethylamino)methyl]-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;7-methyl-5-[4-(pyridin-3-ylmethyl)piperazin-1-yl]-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one?
The InChIKey is JZPBSQMDGCWRON-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35N3O2.C27H27F3N4O2.C26H27ClN4O.C26H33F3N4O2.2C26H25F3N2O2.C24H22Cl2N2O.C24H21F3N2O2.C22H15ClN2O2/c1-23-19-25(7-6-14-32-17-15-31(2)16-18-32)20-26-22-33(30(34)29(23)26)21-24-10-12-28(13-11-24)35-27-8-4-3-5-9-27;1-19-13-23(33-11-9-32(10-12-33)16-21-3-2-8-31-15-21)14-22-18-34(26(35)25(19)22)17-20-4-6-24(7-5-20)36-27(28,29)30;1-19-14-24(30-12-10-29(11-13-30)16-21-6-8-28-9-7-21)15-22-18-31(26(32)25(19)22)17-20-2-4-23(27)5-3-20;1-19-15-22(32-13-11-31(12-14-32)10-4-9-30(2)3)16-21-18-33(25(34)24(19)21)17-20-5-7-23(8-6-20)35-26(27,28)29;1-17-11-21(20-6-4-5-19(12-20)14-30(2)3)13-22-16-31(25(32)24(17)22)15-18-7-9-23(10-8-18)33-26(27,28)29;1-17-12-20(14-30-18(2)21-6-4-3-5-7-21)13-22-16-31(25(32)24(17)22)15-19-8-10-23(11-9-19)33-26(27,28)29;1-27(2)13-16-3-7-18(8-4-16)19-11-20-15-28(24(29)23(20)22(26)12-19)14-17-5-9-21(25)10-6-17;1-15-10-19(18-6-2-16(12-28)3-7-18)11-20-14-29(23(30)22(15)20)13-17-4-8-21(9-5-17)31-24(25,26)27;23-18-10-16(12-24)21-17(11-18)14-25(22(21)26)13-15-6-8-20(9-7-15)27-19-4-2-1-3-5-19/h3-5,8-13,19-20H,6-7,14-18,21-22H2,1-2H3;2-8,13-15H,9-12,16-18H2,1H3;2-9,14-15H,10-13,16-18H2,1H3;5-8,15-16H,4,9-14,17-18H2,1-3H3;4-13H,14-16H2,1-3H3;3-13,18,30H,14-16H2,1-2H3;3-12H,13-15H2,1-2H3;2-11H,12-14,28H2,1H3;1-11H,13-14H2.
What are the key properties of 5-[4-(aminomethyl)phenyl]-7-methyl-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;7-chloro-2-[(4-chlorophenyl)methyl]-5-[4-[(dimethylamino)methyl]phenyl]-3H-isoindol-1-one;6-chloro-3-oxo-2-[(4-phenoxyphenyl)methyl]-1H-isoindole-4-carbonitrile;2-[(4-chlorophenyl)methyl]-7-methyl-5-[4-(pyridin-4-ylmethyl)piperazin-1-yl]-3H-isoindol-1-one;5-[3-[(dimethylamino)methyl]phenyl]-7-methyl-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;5-[4-[3-(dimethylamino)propyl]piperazin-1-yl]-7-methyl-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;7-methyl-5-[3-(4-methylpiperazin-1-yl)propyl]-2-[(4-phenoxyphenyl)methyl]-3H-isoindol-1-one;7-methyl-5-[(1-phenylethylamino)methyl]-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;7-methyl-5-[4-(pyridin-3-ylmethyl)piperazin-1-yl]-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one?
5-[4-(aminomethyl)phenyl]-7-methyl-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;7-chloro-2-[(4-chlorophenyl)methyl]-5-[4-[(dimethylamino)methyl]phenyl]-3H-isoindol-1-one;6-chloro-3-oxo-2-[(4-phenoxyphenyl)methyl]-1H-isoindole-4-carbonitrile;2-[(4-chlorophenyl)methyl]-7-methyl-5-[4-(pyridin-4-ylmethyl)piperazin-1-yl]-3H-isoindol-1-one;5-[3-[(dimethylamino)methyl]phenyl]-7-methyl-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;5-[4-[3-(dimethylamino)propyl]piperazin-1-yl]-7-methyl-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;7-methyl-5-[3-(4-methylpiperazin-1-yl)propyl]-2-[(4-phenoxyphenyl)methyl]-3H-isoindol-1-one;7-methyl-5-[(1-phenylethylamino)methyl]-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;7-methyl-5-[4-(pyridin-3-ylmethyl)piperazin-1-yl]-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one has a molecular weight of 4039.32 g/mol, XLogP of 46.43, 54 rotatable bonds, 2 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(aminomethyl)phenyl]-7-methyl-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;7-chloro-2-[(4-chlorophenyl)methyl]-5-[4-[(dimethylamino)methyl]phenyl]-3H-isoindol-1-one;6-chloro-3-oxo-2-[(4-phenoxyphenyl)methyl]-1H-isoindole-4-carbonitrile;2-[(4-chlorophenyl)methyl]-7-methyl-5-[4-(pyridin-4-ylmethyl)piperazin-1-yl]-3H-isoindol-1-one;5-[3-[(dimethylamino)methyl]phenyl]-7-methyl-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;5-[4-[3-(dimethylamino)propyl]piperazin-1-yl]-7-methyl-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;7-methyl-5-[3-(4-methylpiperazin-1-yl)propyl]-2-[(4-phenoxyphenyl)methyl]-3H-isoindol-1-one;7-methyl-5-[(1-phenylethylamino)methyl]-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;7-methyl-5-[4-(pyridin-3-ylmethyl)piperazin-1-yl]-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one is sourced from PubChem (CID 159070543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).