bis(3-[7-[[4-[(4-tert-butyltriazol-1-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione);3-[7-[[4-(1,3-dihydroisoindol-2-ylmethyl)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;formic acid;(3S)-3-[7-[[4-(morpholin-4-ylmethyl)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[3-oxo-7-[[4-[[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]methyl]phenyl]methoxy]-1H-isoindol-2-yl]piperidine-2,6-dione;3-[3-oxo-7-[[4-[(2,4,5-trimethylimidazol-1-yl)methyl]phenyl]methoxy]-1H-isoindol-2-yl]piperidine-2,6-dione

C162H168F3N23O27 — CID 158576578

About bis(3-[7-[[4-[(4-tert-butyltriazol-1-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione);3-[7-[[4-(1,3-dihydroisoindol-2-ylmethyl)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;formic acid;(3S)-3-[7-[[4-(morpholin-4-ylmethyl)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[3-oxo-7-[[4-[[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]methyl]phenyl]methoxy]-1H-isoindol-2-yl]piperidine-2,6-dione;3-[3-oxo-7-[[4-[(2,4,5-trimethylimidazol-1-yl)methyl]phenyl]methoxy]-1H-isoindol-2-yl]piperidine-2,6-dione

bis(3-[7-[[4-[(4-tert-butyltriazol-1-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione);3-[7-[[4-(1,3-dihydroisoindol-2-ylmethyl)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;formic acid;(3S)-3-[7-[[4-(morpholin-4-ylmethyl)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[3-oxo-7-[[4-[[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]methyl]phenyl]methoxy]-1H-isoindol-2-yl]piperidine-2,6-dione;3-[3-oxo-7-[[4-[(2,4,5-trimethylimidazol-1-yl)methyl]phenyl]methoxy]-1H-isoindol-2-yl]piperidine-2,6-dione (PubChem CID 158576578) has the molecular formula C162H168F3N23O27 and a molecular weight of 2926.25 g/mol. Its IUPAC name is bis(3-[7-[[4-[(4-tert-butyltriazol-1-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione);3-[7-[[4-(1,3-dihydroisoindol-2-ylmethyl)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;formic acid;(3S)-3-[7-[[4-(morpholin-4-ylmethyl)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[3-oxo-7-[[4-[[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]methyl]phenyl]methoxy]-1H-isoindol-2-yl]piperidine-2,6-dione;3-[3-oxo-7-[[4-[(2,4,5-trimethylimidazol-1-yl)methyl]phenyl]methoxy]-1H-isoindol-2-yl]piperidine-2,6-dione.

Molecular Properties

• Compound Name: bis(3-[7-[[4-[(4-tert-butyltriazol-1-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione);3-[7-[[4-(1,3-dihydroisoindol-2-ylmethyl)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;formic acid;(3S)-3-[7-[[4-(morpholin-4-ylmethyl)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[3-oxo-7-[[4-[[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]methyl]phenyl]methoxy]-1H-isoindol-2-yl]piperidine-2,6-dione;3-[3-oxo-7-[[4-[(2,4,5-trimethylimidazol-1-yl)methyl]phenyl]methoxy]-1H-isoindol-2-yl]piperidine-2,6-dione
• PubChem CID: 158576578
• Molecular Formula: C162H168F3N23O27
• Molecular Weight: 2926.25 g/mol
• Exact Mass: 2924.24
• IUPAC Name: bis(3-[7-[[4-[(4-tert-butyltriazol-1-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione);3-[7-[[4-(1,3-dihydroisoindol-2-ylmethyl)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;formic acid;(3S)-3-[7-[[4-(morpholin-4-ylmethyl)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[3-oxo-7-[[4-[[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]methyl]phenyl]methoxy]-1H-isoindol-2-yl]piperidine-2,6-dione;3-[3-oxo-7-[[4-[(2,4,5-trimethylimidazol-1-yl)methyl]phenyl]methoxy]-1H-isoindol-2-yl]piperidine-2,6-dione
• SMILES: CC(C)(C)c1cn(Cc2ccc(COc3cccc4c3CN(C3CCC(=O)NC3=O)C4=O)cc2)nn1.CC(C)(C)c1cn(Cc2ccc(COc3cccc4c3CN(C3CCC(=O)NC3=O)C4=O)cc2)nn1.Cc1nc(C)n(Cc2ccc(COc3cccc4c3CN(C3CCC(=O)NC3=O)C4=O)cc2)c1C.O=C1CCC(N2Cc3c(OCc4ccc(CN5CCC[C@H]5C(F)(F)F)cc4)cccc3C2=O)C(=O)N1.O=C1CCC(N2Cc3c(OCc4ccc(CN5Cc6ccccc6C5)cc4)cccc3C2=O)C(=O)N1.O=C1CC[C@H](N2Cc3c(OCc4ccc(CN5CCOCC5)cc4)cccc3C2=O)C(=O)N1.O=CO
• InChI: InChI=1S/C29H27N3O4.2C27H29N5O4.C27H28N4O4.C26H26F3N3O4.C25H27N3O5.CH2O2/c33-27-13-12-25(28(34)30-27)32-17-24-23(29(32)35)6-3-7-26(24)36-18-20-10-8-19(9-11-20)14-31-15-21-4-1-2-5-22(21)16-31;2*1-27(2,3)23-15-31(30-29-23)13-17-7-9-18(10-8-17)16-36-22-6-4-5-19-20(22)14-32(26(19)35)21-11-12-24(33)28-25(21)34;1-16-17(2)30(18(3)28-16)13-19-7-9-20(10-8-19)15-35-24-6-4-5-21-22(24)14-31(27(21)34)23-11-12-25(32)29-26(23)33;27-26(28,29)22-5-2-12-31(22)13-16-6-8-17(9-7-16)15-36-21-4-1-3-18-19(21)14-32(25(18)35)20-10-11-23(33)30-24(20)34;29-23-9-8-21(24(30)26-23)28-15-20-19(25(28)31)2-1-3-22(20)33-16-18-6-4-17(5-7-18)14-27-10-12-32-13-11-27;2-1-3/h1-11,25H,12-18H2,(H,30,33,34);2*4-10,15,21H,11-14,16H2,1-3H3,(H,28,33,34);4-10,23H,11-15H2,1-3H3,(H,29,32,33);1,3-4,6-9,20,22H,2,5,10-15H2,(H,30,33,34);1-7,21H,8-16H2,(H,26,29,30);1H,(H,2,3)/t;;;;20?,22-;21-;/m....00./s1
• InChIKey: HSSRERPSQXKXBP-PEZJNYTISA-N
• XLogP: 17.78
• TPSA: 589.75 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 37
• Rotatable Bonds: 36
• Heavy Atoms: 215
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2926.25
LogP ≤ 5	17.78
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	37

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of bis(3-[7-[[4-[(4-tert-butyltriazol-1-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione);3-[7-[[4-(1,3-dihydroisoindol-2-ylmethyl)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;formic acid;(3S)-3-[7-[[4-(morpholin-4-ylmethyl)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[3-oxo-7-[[4-[[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]methyl]phenyl]methoxy]-1H-isoindol-2-yl]piperidine-2,6-dione;3-[3-oxo-7-[[4-[(2,4,5-trimethylimidazol-1-yl)methyl]phenyl]methoxy]-1H-isoindol-2-yl]piperidine-2,6-dione?

The IUPAC name of bis(3-[7-[[4-[(4-tert-butyltriazol-1-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione);3-[7-[[4-(1,3-dihydroisoindol-2-ylmethyl)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;formic acid;(3S)-3-[7-[[4-(morpholin-4-ylmethyl)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[3-oxo-7-[[4-[[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]methyl]phenyl]methoxy]-1H-isoindol-2-yl]piperidine-2,6-dione;3-[3-oxo-7-[[4-[(2,4,5-trimethylimidazol-1-yl)methyl]phenyl]methoxy]-1H-isoindol-2-yl]piperidine-2,6-dione (CID 158576578) is bis(3-[7-[[4-[(4-tert-butyltriazol-1-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione);3-[7-[[4-(1,3-dihydroisoindol-2-ylmethyl)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;formic acid;(3S)-3-[7-[[4-(morpholin-4-ylmethyl)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[3-oxo-7-[[4-[[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]methyl]phenyl]methoxy]-1H-isoindol-2-yl]piperidine-2,6-dione;3-[3-oxo-7-[[4-[(2,4,5-trimethylimidazol-1-yl)methyl]phenyl]methoxy]-1H-isoindol-2-yl]piperidine-2,6-dione.

What is the SMILES notation for bis(3-[7-[[4-[(4-tert-butyltriazol-1-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione);3-[7-[[4-(1,3-dihydroisoindol-2-ylmethyl)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;formic acid;(3S)-3-[7-[[4-(morpholin-4-ylmethyl)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[3-oxo-7-[[4-[[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]methyl]phenyl]methoxy]-1H-isoindol-2-yl]piperidine-2,6-dione;3-[3-oxo-7-[[4-[(2,4,5-trimethylimidazol-1-yl)methyl]phenyl]methoxy]-1H-isoindol-2-yl]piperidine-2,6-dione?

The canonical SMILES for bis(3-[7-[[4-[(4-tert-butyltriazol-1-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione);3-[7-[[4-(1,3-dihydroisoindol-2-ylmethyl)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;formic acid;(3S)-3-[7-[[4-(morpholin-4-ylmethyl)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[3-oxo-7-[[4-[[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]methyl]phenyl]methoxy]-1H-isoindol-2-yl]piperidine-2,6-dione;3-[3-oxo-7-[[4-[(2,4,5-trimethylimidazol-1-yl)methyl]phenyl]methoxy]-1H-isoindol-2-yl]piperidine-2,6-dione is CC(C)(C)c1cn(Cc2ccc(COc3cccc4c3CN(C3CCC(=O)NC3=O)C4=O)cc2)nn1.CC(C)(C)c1cn(Cc2ccc(COc3cccc4c3CN(C3CCC(=O)NC3=O)C4=O)cc2)nn1.Cc1nc(C)n(Cc2ccc(COc3cccc4c3CN(C3CCC(=O)NC3=O)C4=O)cc2)c1C.O=C1CCC(N2Cc3c(OCc4ccc(CN5CCC[C@H]5C(F)(F)F)cc4)cccc3C2=O)C(=O)N1.O=C1CCC(N2Cc3c(OCc4ccc(CN5Cc6ccccc6C5)cc4)cccc3C2=O)C(=O)N1.O=C1CC[C@H](N2Cc3c(OCc4ccc(CN5CCOCC5)cc4)cccc3C2=O)C(=O)N1.O=CO.

What is the InChIKey of bis(3-[7-[[4-[(4-tert-butyltriazol-1-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione);3-[7-[[4-(1,3-dihydroisoindol-2-ylmethyl)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;formic acid;(3S)-3-[7-[[4-(morpholin-4-ylmethyl)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[3-oxo-7-[[4-[[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]methyl]phenyl]methoxy]-1H-isoindol-2-yl]piperidine-2,6-dione;3-[3-oxo-7-[[4-[(2,4,5-trimethylimidazol-1-yl)methyl]phenyl]methoxy]-1H-isoindol-2-yl]piperidine-2,6-dione?

The InChIKey is HSSRERPSQXKXBP-PEZJNYTISA-N. The full InChI is InChI=1S/C29H27N3O4.2C27H29N5O4.C27H28N4O4.C26H26F3N3O4.C25H27N3O5.CH2O2/c33-27-13-12-25(28(34)30-27)32-17-24-23(29(32)35)6-3-7-26(24)36-18-20-10-8-19(9-11-20)14-31-15-21-4-1-2-5-22(21)16-31;2*1-27(2,3)23-15-31(30-29-23)13-17-7-9-18(10-8-17)16-36-22-6-4-5-19-20(22)14-32(26(19)35)21-11-12-24(33)28-25(21)34;1-16-17(2)30(18(3)28-16)13-19-7-9-20(10-8-19)15-35-24-6-4-5-21-22(24)14-31(27(21)34)23-11-12-25(32)29-26(23)33;27-26(28,29)22-5-2-12-31(22)13-16-6-8-17(9-7-16)15-36-21-4-1-3-18-19(21)14-32(25(18)35)20-10-11-23(33)30-24(20)34;29-23-9-8-21(24(30)26-23)28-15-20-19(25(28)31)2-1-3-22(20)33-16-18-6-4-17(5-7-18)14-27-10-12-32-13-11-27;2-1-3/h1-11,25H,12-18H2,(H,30,33,34);2*4-10,15,21H,11-14,16H2,1-3H3,(H,28,33,34);4-10,23H,11-15H2,1-3H3,(H,29,32,33);1,3-4,6-9,20,22H,2,5,10-15H2,(H,30,33,34);1-7,21H,8-16H2,(H,26,29,30);1H,(H,2,3)/t;;;;20?,22-;21-;/m....00./s1.

What are the key properties of bis(3-[7-[[4-[(4-tert-butyltriazol-1-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione);3-[7-[[4-(1,3-dihydroisoindol-2-ylmethyl)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;formic acid;(3S)-3-[7-[[4-(morpholin-4-ylmethyl)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[3-oxo-7-[[4-[[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]methyl]phenyl]methoxy]-1H-isoindol-2-yl]piperidine-2,6-dione;3-[3-oxo-7-[[4-[(2,4,5-trimethylimidazol-1-yl)methyl]phenyl]methoxy]-1H-isoindol-2-yl]piperidine-2,6-dione?

bis(3-[7-[[4-[(4-tert-butyltriazol-1-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione);3-[7-[[4-(1,3-dihydroisoindol-2-ylmethyl)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;formic acid;(3S)-3-[7-[[4-(morpholin-4-ylmethyl)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[3-oxo-7-[[4-[[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]methyl]phenyl]methoxy]-1H-isoindol-2-yl]piperidine-2,6-dione;3-[3-oxo-7-[[4-[(2,4,5-trimethylimidazol-1-yl)methyl]phenyl]methoxy]-1H-isoindol-2-yl]piperidine-2,6-dione has a molecular weight of 2926.25 g/mol, XLogP of 17.78, 36 rotatable bonds, 7 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for bis(3-[7-[[4-[(4-tert-butyltriazol-1-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione);3-[7-[[4-(1,3-dihydroisoindol-2-ylmethyl)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;formic acid;(3S)-3-[7-[[4-(morpholin-4-ylmethyl)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[3-oxo-7-[[4-[[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]methyl]phenyl]methoxy]-1H-isoindol-2-yl]piperidine-2,6-dione;3-[3-oxo-7-[[4-[(2,4,5-trimethylimidazol-1-yl)methyl]phenyl]methoxy]-1H-isoindol-2-yl]piperidine-2,6-dione is sourced from PubChem (CID 158576578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).