bis((3S)-3-deuterio-3-[4,5,6-trideuterio-3-oxo-7-[[2,3,5,6-tetradeuterio-4-(morpholin-4-ylmethyl)phenyl]methylamino]-1H-isoindol-2-yl]piperidine-2,6-dione);3-deuterio-3-[4,5,6-trideuterio-3-oxo-7-[[2,3,5,6-tetradeuterio-4-(morpholin-4-ylmethyl)phenyl]methylamino]-1H-isoindol-2-yl]piperidine-2,6-dione;bis((3S)-3-[4,5,6-trideuterio-3-oxo-7-[[2,3,5,6-tetradeuterio-4-(morpholin-4-ylmethyl)phenyl]methoxy]-1H-isoindol-2-yl]piperidine-2,6-dione);3-[4,5,6-trideuterio-3-oxo-7-[[2,3,5,6-tetradeuterio-4-(morpholin-4-ylmethyl)phenyl]methoxy]-1H-isoindol-2-yl]piperidine-2,6-dione

C150H165N21O27 — CID 162068981

About bis((3S)-3-deuterio-3-[4,5,6-trideuterio-3-oxo-7-[[2,3,5,6-tetradeuterio-4-(morpholin-4-ylmethyl)phenyl]methylamino]-1H-isoindol-2-yl]piperidine-2,6-dione);3-deuterio-3-[4,5,6-trideuterio-3-oxo-7-[[2,3,5,6-tetradeuterio-4-(morpholin-4-ylmethyl)phenyl]methylamino]-1H-isoindol-2-yl]piperidine-2,6-dione;bis((3S)-3-[4,5,6-trideuterio-3-oxo-7-[[2,3,5,6-tetradeuterio-4-(morpholin-4-ylmethyl)phenyl]methoxy]-1H-isoindol-2-yl]piperidine-2,6-dione);3-[4,5,6-trideuterio-3-oxo-7-[[2,3,5,6-tetradeuterio-4-(morpholin-4-ylmethyl)phenyl]methoxy]-1H-isoindol-2-yl]piperidine-2,6-dione

bis((3S)-3-deuterio-3-[4,5,6-trideuterio-3-oxo-7-[[2,3,5,6-tetradeuterio-4-(morpholin-4-ylmethyl)phenyl]methylamino]-1H-isoindol-2-yl]piperidine-2,6-dione);3-deuterio-3-[4,5,6-trideuterio-3-oxo-7-[[2,3,5,6-tetradeuterio-4-(morpholin-4-ylmethyl)phenyl]methylamino]-1H-isoindol-2-yl]piperidine-2,6-dione;bis((3S)-3-[4,5,6-trideuterio-3-oxo-7-[[2,3,5,6-tetradeuterio-4-(morpholin-4-ylmethyl)phenyl]methoxy]-1H-isoindol-2-yl]piperidine-2,6-dione);3-[4,5,6-trideuterio-3-oxo-7-[[2,3,5,6-tetradeuterio-4-(morpholin-4-ylmethyl)phenyl]methoxy]-1H-isoindol-2-yl]piperidine-2,6-dione (PubChem CID 162068981) has the molecular formula C150H165N21O27 and a molecular weight of 2739.36 g/mol. Its IUPAC name is bis((3S)-3-deuterio-3-[4,5,6-trideuterio-3-oxo-7-[[2,3,5,6-tetradeuterio-4-(morpholin-4-ylmethyl)phenyl]methylamino]-1H-isoindol-2-yl]piperidine-2,6-dione);3-deuterio-3-[4,5,6-trideuterio-3-oxo-7-[[2,3,5,6-tetradeuterio-4-(morpholin-4-ylmethyl)phenyl]methylamino]-1H-isoindol-2-yl]piperidine-2,6-dione;bis((3S)-3-[4,5,6-trideuterio-3-oxo-7-[[2,3,5,6-tetradeuterio-4-(morpholin-4-ylmethyl)phenyl]methoxy]-1H-isoindol-2-yl]piperidine-2,6-dione);3-[4,5,6-trideuterio-3-oxo-7-[[2,3,5,6-tetradeuterio-4-(morpholin-4-ylmethyl)phenyl]methoxy]-1H-isoindol-2-yl]piperidine-2,6-dione.

Molecular Properties

• Compound Name: bis((3S)-3-deuterio-3-[4,5,6-trideuterio-3-oxo-7-[[2,3,5,6-tetradeuterio-4-(morpholin-4-ylmethyl)phenyl]methylamino]-1H-isoindol-2-yl]piperidine-2,6-dione);3-deuterio-3-[4,5,6-trideuterio-3-oxo-7-[[2,3,5,6-tetradeuterio-4-(morpholin-4-ylmethyl)phenyl]methylamino]-1H-isoindol-2-yl]piperidine-2,6-dione;bis((3S)-3-[4,5,6-trideuterio-3-oxo-7-[[2,3,5,6-tetradeuterio-4-(morpholin-4-ylmethyl)phenyl]methoxy]-1H-isoindol-2-yl]piperidine-2,6-dione);3-[4,5,6-trideuterio-3-oxo-7-[[2,3,5,6-tetradeuterio-4-(morpholin-4-ylmethyl)phenyl]methoxy]-1H-isoindol-2-yl]piperidine-2,6-dione
• PubChem CID: 162068981
• Molecular Formula: C150H165N21O27
• Molecular Weight: 2739.36 g/mol
• Exact Mass: 2737.50
• IUPAC Name: bis((3S)-3-deuterio-3-[4,5,6-trideuterio-3-oxo-7-[[2,3,5,6-tetradeuterio-4-(morpholin-4-ylmethyl)phenyl]methylamino]-1H-isoindol-2-yl]piperidine-2,6-dione);3-deuterio-3-[4,5,6-trideuterio-3-oxo-7-[[2,3,5,6-tetradeuterio-4-(morpholin-4-ylmethyl)phenyl]methylamino]-1H-isoindol-2-yl]piperidine-2,6-dione;bis((3S)-3-[4,5,6-trideuterio-3-oxo-7-[[2,3,5,6-tetradeuterio-4-(morpholin-4-ylmethyl)phenyl]methoxy]-1H-isoindol-2-yl]piperidine-2,6-dione);3-[4,5,6-trideuterio-3-oxo-7-[[2,3,5,6-tetradeuterio-4-(morpholin-4-ylmethyl)phenyl]methoxy]-1H-isoindol-2-yl]piperidine-2,6-dione
• SMILES: [2H]c1c([2H])c(NCc2c([2H])c([2H])c(CN3CCOCC3)c([2H])c2[2H])c2c(c1[2H])C(=O)N(C1([2H])CCC(=O)NC1=O)C2.[2H]c1c([2H])c(NCc2c([2H])c([2H])c(CN3CCOCC3)c([2H])c2[2H])c2c(c1[2H])C(=O)N([C@@]1([2H])CCC(=O)NC1=O)C2.[2H]c1c([2H])c(NCc2c([2H])c([2H])c(CN3CCOCC3)c([2H])c2[2H])c2c(c1[2H])C(=O)N([C@@]1([2H])CCC(=O)NC1=O)C2.[2H]c1c([2H])c(OCc2c([2H])c([2H])c(CN3CCOCC3)c([2H])c2[2H])c2c(c1[2H])C(=O)N(C1CCC(=O)NC1=O)C2.[2H]c1c([2H])c(OCc2c([2H])c([2H])c(CN3CCOCC3)c([2H])c2[2H])c2c(c1[2H])C(=O)N([C@H]1CCC(=O)NC1=O)C2.[2H]c1c([2H])c(OCc2c([2H])c([2H])c(CN3CCOCC3)c([2H])c2[2H])c2c(c1[2H])C(=O)N([C@H]1CCC(=O)NC1=O)C2
• InChI: InChI=1S/3C25H28N4O4.3C25H27N3O5/c3*30-23-9-8-22(24(31)27-23)29-16-20-19(25(29)32)2-1-3-21(20)26-14-17-4-6-18(7-5-17)15-28-10-12-33-13-11-28;3*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/h3*1-7,22,26H,8-16H2,(H,27,30,31);3*1-7,21H,8-16H2,(H,26,29,30)/t2*22-;;2*21-;/m00.00./s1/i3*1D,2D,3D,4D,5D,6D,7D,22D;3*1D,2D,3D,4D,5D,6D,7D
• InChIKey: ZAVBRBHEJYGBRI-SUHBCYGYSA-N
• XLogP: 11.25
• TPSA: 537.48 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 36
• Rotatable Bonds: 36
• Heavy Atoms: 198
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2739.36
LogP ≤ 5	11.25
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	36

Frequently Asked Questions

What is the IUPAC name of bis((3S)-3-deuterio-3-[4,5,6-trideuterio-3-oxo-7-[[2,3,5,6-tetradeuterio-4-(morpholin-4-ylmethyl)phenyl]methylamino]-1H-isoindol-2-yl]piperidine-2,6-dione);3-deuterio-3-[4,5,6-trideuterio-3-oxo-7-[[2,3,5,6-tetradeuterio-4-(morpholin-4-ylmethyl)phenyl]methylamino]-1H-isoindol-2-yl]piperidine-2,6-dione;bis((3S)-3-[4,5,6-trideuterio-3-oxo-7-[[2,3,5,6-tetradeuterio-4-(morpholin-4-ylmethyl)phenyl]methoxy]-1H-isoindol-2-yl]piperidine-2,6-dione);3-[4,5,6-trideuterio-3-oxo-7-[[2,3,5,6-tetradeuterio-4-(morpholin-4-ylmethyl)phenyl]methoxy]-1H-isoindol-2-yl]piperidine-2,6-dione?

The IUPAC name of bis((3S)-3-deuterio-3-[4,5,6-trideuterio-3-oxo-7-[[2,3,5,6-tetradeuterio-4-(morpholin-4-ylmethyl)phenyl]methylamino]-1H-isoindol-2-yl]piperidine-2,6-dione);3-deuterio-3-[4,5,6-trideuterio-3-oxo-7-[[2,3,5,6-tetradeuterio-4-(morpholin-4-ylmethyl)phenyl]methylamino]-1H-isoindol-2-yl]piperidine-2,6-dione;bis((3S)-3-[4,5,6-trideuterio-3-oxo-7-[[2,3,5,6-tetradeuterio-4-(morpholin-4-ylmethyl)phenyl]methoxy]-1H-isoindol-2-yl]piperidine-2,6-dione);3-[4,5,6-trideuterio-3-oxo-7-[[2,3,5,6-tetradeuterio-4-(morpholin-4-ylmethyl)phenyl]methoxy]-1H-isoindol-2-yl]piperidine-2,6-dione (CID 162068981) is bis((3S)-3-deuterio-3-[4,5,6-trideuterio-3-oxo-7-[[2,3,5,6-tetradeuterio-4-(morpholin-4-ylmethyl)phenyl]methylamino]-1H-isoindol-2-yl]piperidine-2,6-dione);3-deuterio-3-[4,5,6-trideuterio-3-oxo-7-[[2,3,5,6-tetradeuterio-4-(morpholin-4-ylmethyl)phenyl]methylamino]-1H-isoindol-2-yl]piperidine-2,6-dione;bis((3S)-3-[4,5,6-trideuterio-3-oxo-7-[[2,3,5,6-tetradeuterio-4-(morpholin-4-ylmethyl)phenyl]methoxy]-1H-isoindol-2-yl]piperidine-2,6-dione);3-[4,5,6-trideuterio-3-oxo-7-[[2,3,5,6-tetradeuterio-4-(morpholin-4-ylmethyl)phenyl]methoxy]-1H-isoindol-2-yl]piperidine-2,6-dione.

What is the SMILES notation for bis((3S)-3-deuterio-3-[4,5,6-trideuterio-3-oxo-7-[[2,3,5,6-tetradeuterio-4-(morpholin-4-ylmethyl)phenyl]methylamino]-1H-isoindol-2-yl]piperidine-2,6-dione);3-deuterio-3-[4,5,6-trideuterio-3-oxo-7-[[2,3,5,6-tetradeuterio-4-(morpholin-4-ylmethyl)phenyl]methylamino]-1H-isoindol-2-yl]piperidine-2,6-dione;bis((3S)-3-[4,5,6-trideuterio-3-oxo-7-[[2,3,5,6-tetradeuterio-4-(morpholin-4-ylmethyl)phenyl]methoxy]-1H-isoindol-2-yl]piperidine-2,6-dione);3-[4,5,6-trideuterio-3-oxo-7-[[2,3,5,6-tetradeuterio-4-(morpholin-4-ylmethyl)phenyl]methoxy]-1H-isoindol-2-yl]piperidine-2,6-dione?

The canonical SMILES for bis((3S)-3-deuterio-3-[4,5,6-trideuterio-3-oxo-7-[[2,3,5,6-tetradeuterio-4-(morpholin-4-ylmethyl)phenyl]methylamino]-1H-isoindol-2-yl]piperidine-2,6-dione);3-deuterio-3-[4,5,6-trideuterio-3-oxo-7-[[2,3,5,6-tetradeuterio-4-(morpholin-4-ylmethyl)phenyl]methylamino]-1H-isoindol-2-yl]piperidine-2,6-dione;bis((3S)-3-[4,5,6-trideuterio-3-oxo-7-[[2,3,5,6-tetradeuterio-4-(morpholin-4-ylmethyl)phenyl]methoxy]-1H-isoindol-2-yl]piperidine-2,6-dione);3-[4,5,6-trideuterio-3-oxo-7-[[2,3,5,6-tetradeuterio-4-(morpholin-4-ylmethyl)phenyl]methoxy]-1H-isoindol-2-yl]piperidine-2,6-dione is [2H]c1c([2H])c(NCc2c([2H])c([2H])c(CN3CCOCC3)c([2H])c2[2H])c2c(c1[2H])C(=O)N(C1([2H])CCC(=O)NC1=O)C2.[2H]c1c([2H])c(NCc2c([2H])c([2H])c(CN3CCOCC3)c([2H])c2[2H])c2c(c1[2H])C(=O)N([C@@]1([2H])CCC(=O)NC1=O)C2.[2H]c1c([2H])c(NCc2c([2H])c([2H])c(CN3CCOCC3)c([2H])c2[2H])c2c(c1[2H])C(=O)N([C@@]1([2H])CCC(=O)NC1=O)C2.[2H]c1c([2H])c(OCc2c([2H])c([2H])c(CN3CCOCC3)c([2H])c2[2H])c2c(c1[2H])C(=O)N(C1CCC(=O)NC1=O)C2.[2H]c1c([2H])c(OCc2c([2H])c([2H])c(CN3CCOCC3)c([2H])c2[2H])c2c(c1[2H])C(=O)N([C@H]1CCC(=O)NC1=O)C2.[2H]c1c([2H])c(OCc2c([2H])c([2H])c(CN3CCOCC3)c([2H])c2[2H])c2c(c1[2H])C(=O)N([C@H]1CCC(=O)NC1=O)C2.

What is the InChIKey of bis((3S)-3-deuterio-3-[4,5,6-trideuterio-3-oxo-7-[[2,3,5,6-tetradeuterio-4-(morpholin-4-ylmethyl)phenyl]methylamino]-1H-isoindol-2-yl]piperidine-2,6-dione);3-deuterio-3-[4,5,6-trideuterio-3-oxo-7-[[2,3,5,6-tetradeuterio-4-(morpholin-4-ylmethyl)phenyl]methylamino]-1H-isoindol-2-yl]piperidine-2,6-dione;bis((3S)-3-[4,5,6-trideuterio-3-oxo-7-[[2,3,5,6-tetradeuterio-4-(morpholin-4-ylmethyl)phenyl]methoxy]-1H-isoindol-2-yl]piperidine-2,6-dione);3-[4,5,6-trideuterio-3-oxo-7-[[2,3,5,6-tetradeuterio-4-(morpholin-4-ylmethyl)phenyl]methoxy]-1H-isoindol-2-yl]piperidine-2,6-dione?

The InChIKey is ZAVBRBHEJYGBRI-SUHBCYGYSA-N. The full InChI is InChI=1S/3C25H28N4O4.3C25H27N3O5/c3*30-23-9-8-22(24(31)27-23)29-16-20-19(25(29)32)2-1-3-21(20)26-14-17-4-6-18(7-5-17)15-28-10-12-33-13-11-28;3*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/h3*1-7,22,26H,8-16H2,(H,27,30,31);3*1-7,21H,8-16H2,(H,26,29,30)/t2*22-;;2*21-;/m00.00./s1/i3*1D,2D,3D,4D,5D,6D,7D,22D;3*1D,2D,3D,4D,5D,6D,7D.

What are the key properties of bis((3S)-3-deuterio-3-[4,5,6-trideuterio-3-oxo-7-[[2,3,5,6-tetradeuterio-4-(morpholin-4-ylmethyl)phenyl]methylamino]-1H-isoindol-2-yl]piperidine-2,6-dione);3-deuterio-3-[4,5,6-trideuterio-3-oxo-7-[[2,3,5,6-tetradeuterio-4-(morpholin-4-ylmethyl)phenyl]methylamino]-1H-isoindol-2-yl]piperidine-2,6-dione;bis((3S)-3-[4,5,6-trideuterio-3-oxo-7-[[2,3,5,6-tetradeuterio-4-(morpholin-4-ylmethyl)phenyl]methoxy]-1H-isoindol-2-yl]piperidine-2,6-dione);3-[4,5,6-trideuterio-3-oxo-7-[[2,3,5,6-tetradeuterio-4-(morpholin-4-ylmethyl)phenyl]methoxy]-1H-isoindol-2-yl]piperidine-2,6-dione?

bis((3S)-3-deuterio-3-[4,5,6-trideuterio-3-oxo-7-[[2,3,5,6-tetradeuterio-4-(morpholin-4-ylmethyl)phenyl]methylamino]-1H-isoindol-2-yl]piperidine-2,6-dione);3-deuterio-3-[4,5,6-trideuterio-3-oxo-7-[[2,3,5,6-tetradeuterio-4-(morpholin-4-ylmethyl)phenyl]methylamino]-1H-isoindol-2-yl]piperidine-2,6-dione;bis((3S)-3-[4,5,6-trideuterio-3-oxo-7-[[2,3,5,6-tetradeuterio-4-(morpholin-4-ylmethyl)phenyl]methoxy]-1H-isoindol-2-yl]piperidine-2,6-dione);3-[4,5,6-trideuterio-3-oxo-7-[[2,3,5,6-tetradeuterio-4-(morpholin-4-ylmethyl)phenyl]methoxy]-1H-isoindol-2-yl]piperidine-2,6-dione has a molecular weight of 2739.36 g/mol, XLogP of 11.25, 36 rotatable bonds, 9 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for bis((3S)-3-deuterio-3-[4,5,6-trideuterio-3-oxo-7-[[2,3,5,6-tetradeuterio-4-(morpholin-4-ylmethyl)phenyl]methylamino]-1H-isoindol-2-yl]piperidine-2,6-dione);3-deuterio-3-[4,5,6-trideuterio-3-oxo-7-[[2,3,5,6-tetradeuterio-4-(morpholin-4-ylmethyl)phenyl]methylamino]-1H-isoindol-2-yl]piperidine-2,6-dione;bis((3S)-3-[4,5,6-trideuterio-3-oxo-7-[[2,3,5,6-tetradeuterio-4-(morpholin-4-ylmethyl)phenyl]methoxy]-1H-isoindol-2-yl]piperidine-2,6-dione);3-[4,5,6-trideuterio-3-oxo-7-[[2,3,5,6-tetradeuterio-4-(morpholin-4-ylmethyl)phenyl]methoxy]-1H-isoindol-2-yl]piperidine-2,6-dione is sourced from PubChem (CID 162068981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).