4-[7-[[4-(2,3-dihydroindol-1-ylmethyl)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;(2R)-1-[[4-[[2-(2,4-dioxocyclohexyl)-1-oxo-3H-isoindol-4-yl]oxymethyl]phenyl]methyl]pyrrolidine-2-carboxylic acid;4-[7-[[4-[(2-methylimidazol-1-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[7-[[3-(morpholin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[3-oxo-7-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methoxy]-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[3-oxo-7-[[4-(1,2,4-triazol-4-ylmethyl)phenyl]methoxy]-1H-isoindol-2-yl]cyclohexane-1,3-dione;hydrochloride

C153H150ClN19O28 — CID 157406465

About 4-[7-[[4-(2,3-dihydroindol-1-ylmethyl)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;(2R)-1-[[4-[[2-(2,4-dioxocyclohexyl)-1-oxo-3H-isoindol-4-yl]oxymethyl]phenyl]methyl]pyrrolidine-2-carboxylic acid;4-[7-[[4-[(2-methylimidazol-1-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[7-[[3-(morpholin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[3-oxo-7-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methoxy]-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[3-oxo-7-[[4-(1,2,4-triazol-4-ylmethyl)phenyl]methoxy]-1H-isoindol-2-yl]cyclohexane-1,3-dione;hydrochloride

4-[7-[[4-(2,3-dihydroindol-1-ylmethyl)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;(2R)-1-[[4-[[2-(2,4-dioxocyclohexyl)-1-oxo-3H-isoindol-4-yl]oxymethyl]phenyl]methyl]pyrrolidine-2-carboxylic acid;4-[7-[[4-[(2-methylimidazol-1-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[7-[[3-(morpholin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[3-oxo-7-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methoxy]-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[3-oxo-7-[[4-(1,2,4-triazol-4-ylmethyl)phenyl]methoxy]-1H-isoindol-2-yl]cyclohexane-1,3-dione;hydrochloride (PubChem CID 157406465) has the molecular formula C153H150ClN19O28 and a molecular weight of 2738.44 g/mol. Its IUPAC name is 4-[7-[[4-(2,3-dihydroindol-1-ylmethyl)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;(2R)-1-[[4-[[2-(2,4-dioxocyclohexyl)-1-oxo-3H-isoindol-4-yl]oxymethyl]phenyl]methyl]pyrrolidine-2-carboxylic acid;4-[7-[[4-[(2-methylimidazol-1-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[7-[[3-(morpholin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[3-oxo-7-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methoxy]-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[3-oxo-7-[[4-(1,2,4-triazol-4-ylmethyl)phenyl]methoxy]-1H-isoindol-2-yl]cyclohexane-1,3-dione;hydrochloride.

Molecular Properties

• Compound Name: 4-[7-[[4-(2,3-dihydroindol-1-ylmethyl)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;(2R)-1-[[4-[[2-(2,4-dioxocyclohexyl)-1-oxo-3H-isoindol-4-yl]oxymethyl]phenyl]methyl]pyrrolidine-2-carboxylic acid;4-[7-[[4-[(2-methylimidazol-1-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[7-[[3-(morpholin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[3-oxo-7-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methoxy]-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[3-oxo-7-[[4-(1,2,4-triazol-4-ylmethyl)phenyl]methoxy]-1H-isoindol-2-yl]cyclohexane-1,3-dione;hydrochloride
• PubChem CID: 157406465
• Molecular Formula: C153H150ClN19O28
• Molecular Weight: 2738.44 g/mol
• Exact Mass: 2736.06
• IUPAC Name: 4-[7-[[4-(2,3-dihydroindol-1-ylmethyl)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;(2R)-1-[[4-[[2-(2,4-dioxocyclohexyl)-1-oxo-3H-isoindol-4-yl]oxymethyl]phenyl]methyl]pyrrolidine-2-carboxylic acid;4-[7-[[4-[(2-methylimidazol-1-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[7-[[3-(morpholin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[3-oxo-7-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methoxy]-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[3-oxo-7-[[4-(1,2,4-triazol-4-ylmethyl)phenyl]methoxy]-1H-isoindol-2-yl]cyclohexane-1,3-dione;hydrochloride
• SMILES: Cc1nccn1Cc1ccc(COc2cccc3c2CN(C2CCC(=O)CC2=O)C3=O)cc1.Cl.O=C1CCC(N2Cc3c(OCc4ccc(CN5CCC[C@@H]5C(=O)O)cc4)cccc3C2=O)C(=O)C1.O=C1CCC(N2Cc3c(OCc4ccc(CN5CCc6ccccc65)cc4)cccc3C2=O)C(=O)C1.O=C1CCC(N2Cc3c(OCc4ccc(Cn5cncn5)cc4)cccc3C2=O)C(=O)C1.O=C1CCC(N2Cc3c(OCc4ccc(Cn5cnnc5)cc4)cccc3C2=O)C(=O)C1.O=C1CCC(N2Cc3c(OCc4nc(CN5CCOCC5)no4)cccc3C2=O)C(=O)C1
• InChI: InChI=1S/C30H28N2O4.C27H28N2O6.C26H25N3O4.2C24H22N4O4.C22H24N4O6.ClH/c33-23-12-13-27(28(34)16-23)32-18-25-24(30(32)35)5-3-7-29(25)36-19-21-10-8-20(9-11-21)17-31-15-14-22-4-1-2-6-26(22)31;30-19-10-11-22(24(31)13-19)29-15-21-20(26(29)32)3-1-5-25(21)35-16-18-8-6-17(7-9-18)14-28-12-2-4-23(28)27(33)34;1-17-27-11-12-28(17)14-18-5-7-19(8-6-18)16-33-25-4-2-3-21-22(25)15-29(26(21)32)23-10-9-20(30)13-24(23)31;29-18-8-9-21(22(30)10-18)28-12-20-19(24(28)31)2-1-3-23(20)32-13-17-6-4-16(5-7-17)11-27-14-25-26-15-27;29-18-8-9-21(22(30)10-18)28-12-20-19(24(28)31)2-1-3-23(20)32-13-17-6-4-16(5-7-17)11-27-15-25-14-26-27;27-14-4-5-17(18(28)10-14)26-11-16-15(22(26)29)2-1-3-19(16)31-13-21-23-20(24-32-21)12-25-6-8-30-9-7-25;/h1-11,27H,12-19H2;1,3,5-9,22-23H,2,4,10-16H2,(H,33,34);2-8,11-12,23H,9-10,13-16H2,1H3;2*1-7,14-15,21H,8-13H2;1-3,17H,4-13H2;1H/t;22?,23-;;;;;/m.1...../s1
• InChIKey: ZFSFDQMCXKGITL-WKHLQEROSA-N
• XLogP: 17.55
• TPSA: 556.49 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 40
• Rotatable Bonds: 37
• Heavy Atoms: 201
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2738.44
LogP ≤ 5	17.55
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	40

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[7-[[4-(2,3-dihydroindol-1-ylmethyl)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;(2R)-1-[[4-[[2-(2,4-dioxocyclohexyl)-1-oxo-3H-isoindol-4-yl]oxymethyl]phenyl]methyl]pyrrolidine-2-carboxylic acid;4-[7-[[4-[(2-methylimidazol-1-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[7-[[3-(morpholin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[3-oxo-7-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methoxy]-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[3-oxo-7-[[4-(1,2,4-triazol-4-ylmethyl)phenyl]methoxy]-1H-isoindol-2-yl]cyclohexane-1,3-dione;hydrochloride?

The IUPAC name of 4-[7-[[4-(2,3-dihydroindol-1-ylmethyl)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;(2R)-1-[[4-[[2-(2,4-dioxocyclohexyl)-1-oxo-3H-isoindol-4-yl]oxymethyl]phenyl]methyl]pyrrolidine-2-carboxylic acid;4-[7-[[4-[(2-methylimidazol-1-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[7-[[3-(morpholin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[3-oxo-7-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methoxy]-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[3-oxo-7-[[4-(1,2,4-triazol-4-ylmethyl)phenyl]methoxy]-1H-isoindol-2-yl]cyclohexane-1,3-dione;hydrochloride (CID 157406465) is 4-[7-[[4-(2,3-dihydroindol-1-ylmethyl)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;(2R)-1-[[4-[[2-(2,4-dioxocyclohexyl)-1-oxo-3H-isoindol-4-yl]oxymethyl]phenyl]methyl]pyrrolidine-2-carboxylic acid;4-[7-[[4-[(2-methylimidazol-1-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[7-[[3-(morpholin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[3-oxo-7-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methoxy]-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[3-oxo-7-[[4-(1,2,4-triazol-4-ylmethyl)phenyl]methoxy]-1H-isoindol-2-yl]cyclohexane-1,3-dione;hydrochloride.

What is the SMILES notation for 4-[7-[[4-(2,3-dihydroindol-1-ylmethyl)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;(2R)-1-[[4-[[2-(2,4-dioxocyclohexyl)-1-oxo-3H-isoindol-4-yl]oxymethyl]phenyl]methyl]pyrrolidine-2-carboxylic acid;4-[7-[[4-[(2-methylimidazol-1-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[7-[[3-(morpholin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[3-oxo-7-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methoxy]-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[3-oxo-7-[[4-(1,2,4-triazol-4-ylmethyl)phenyl]methoxy]-1H-isoindol-2-yl]cyclohexane-1,3-dione;hydrochloride?

The canonical SMILES for 4-[7-[[4-(2,3-dihydroindol-1-ylmethyl)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;(2R)-1-[[4-[[2-(2,4-dioxocyclohexyl)-1-oxo-3H-isoindol-4-yl]oxymethyl]phenyl]methyl]pyrrolidine-2-carboxylic acid;4-[7-[[4-[(2-methylimidazol-1-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[7-[[3-(morpholin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[3-oxo-7-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methoxy]-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[3-oxo-7-[[4-(1,2,4-triazol-4-ylmethyl)phenyl]methoxy]-1H-isoindol-2-yl]cyclohexane-1,3-dione;hydrochloride is Cc1nccn1Cc1ccc(COc2cccc3c2CN(C2CCC(=O)CC2=O)C3=O)cc1.Cl.O=C1CCC(N2Cc3c(OCc4ccc(CN5CCC[C@@H]5C(=O)O)cc4)cccc3C2=O)C(=O)C1.O=C1CCC(N2Cc3c(OCc4ccc(CN5CCc6ccccc65)cc4)cccc3C2=O)C(=O)C1.O=C1CCC(N2Cc3c(OCc4ccc(Cn5cncn5)cc4)cccc3C2=O)C(=O)C1.O=C1CCC(N2Cc3c(OCc4ccc(Cn5cnnc5)cc4)cccc3C2=O)C(=O)C1.O=C1CCC(N2Cc3c(OCc4nc(CN5CCOCC5)no4)cccc3C2=O)C(=O)C1.

What is the InChIKey of 4-[7-[[4-(2,3-dihydroindol-1-ylmethyl)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;(2R)-1-[[4-[[2-(2,4-dioxocyclohexyl)-1-oxo-3H-isoindol-4-yl]oxymethyl]phenyl]methyl]pyrrolidine-2-carboxylic acid;4-[7-[[4-[(2-methylimidazol-1-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[7-[[3-(morpholin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[3-oxo-7-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methoxy]-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[3-oxo-7-[[4-(1,2,4-triazol-4-ylmethyl)phenyl]methoxy]-1H-isoindol-2-yl]cyclohexane-1,3-dione;hydrochloride?

The InChIKey is ZFSFDQMCXKGITL-WKHLQEROSA-N. The full InChI is InChI=1S/C30H28N2O4.C27H28N2O6.C26H25N3O4.2C24H22N4O4.C22H24N4O6.ClH/c33-23-12-13-27(28(34)16-23)32-18-25-24(30(32)35)5-3-7-29(25)36-19-21-10-8-20(9-11-21)17-31-15-14-22-4-1-2-6-26(22)31;30-19-10-11-22(24(31)13-19)29-15-21-20(26(29)32)3-1-5-25(21)35-16-18-8-6-17(7-9-18)14-28-12-2-4-23(28)27(33)34;1-17-27-11-12-28(17)14-18-5-7-19(8-6-18)16-33-25-4-2-3-21-22(25)15-29(26(21)32)23-10-9-20(30)13-24(23)31;29-18-8-9-21(22(30)10-18)28-12-20-19(24(28)31)2-1-3-23(20)32-13-17-6-4-16(5-7-17)11-27-14-25-26-15-27;29-18-8-9-21(22(30)10-18)28-12-20-19(24(28)31)2-1-3-23(20)32-13-17-6-4-16(5-7-17)11-27-15-25-14-26-27;27-14-4-5-17(18(28)10-14)26-11-16-15(22(26)29)2-1-3-19(16)31-13-21-23-20(24-32-21)12-25-6-8-30-9-7-25;/h1-11,27H,12-19H2;1,3,5-9,22-23H,2,4,10-16H2,(H,33,34);2-8,11-12,23H,9-10,13-16H2,1H3;2*1-7,14-15,21H,8-13H2;1-3,17H,4-13H2;1H/t;22?,23-;;;;;/m.1...../s1.

What are the key properties of 4-[7-[[4-(2,3-dihydroindol-1-ylmethyl)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;(2R)-1-[[4-[[2-(2,4-dioxocyclohexyl)-1-oxo-3H-isoindol-4-yl]oxymethyl]phenyl]methyl]pyrrolidine-2-carboxylic acid;4-[7-[[4-[(2-methylimidazol-1-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[7-[[3-(morpholin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[3-oxo-7-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methoxy]-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[3-oxo-7-[[4-(1,2,4-triazol-4-ylmethyl)phenyl]methoxy]-1H-isoindol-2-yl]cyclohexane-1,3-dione;hydrochloride?

4-[7-[[4-(2,3-dihydroindol-1-ylmethyl)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;(2R)-1-[[4-[[2-(2,4-dioxocyclohexyl)-1-oxo-3H-isoindol-4-yl]oxymethyl]phenyl]methyl]pyrrolidine-2-carboxylic acid;4-[7-[[4-[(2-methylimidazol-1-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[7-[[3-(morpholin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[3-oxo-7-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methoxy]-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[3-oxo-7-[[4-(1,2,4-triazol-4-ylmethyl)phenyl]methoxy]-1H-isoindol-2-yl]cyclohexane-1,3-dione;hydrochloride has a molecular weight of 2738.44 g/mol, XLogP of 17.55, 37 rotatable bonds, 1 hydrogen bond donors, and 40 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[7-[[4-(2,3-dihydroindol-1-ylmethyl)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;(2R)-1-[[4-[[2-(2,4-dioxocyclohexyl)-1-oxo-3H-isoindol-4-yl]oxymethyl]phenyl]methyl]pyrrolidine-2-carboxylic acid;4-[7-[[4-[(2-methylimidazol-1-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[7-[[3-(morpholin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[3-oxo-7-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methoxy]-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[3-oxo-7-[[4-(1,2,4-triazol-4-ylmethyl)phenyl]methoxy]-1H-isoindol-2-yl]cyclohexane-1,3-dione;hydrochloride is sourced from PubChem (CID 157406465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).