3,3,4,4,5-pentadeuterio-5-[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;(5S)-3,3,4,4,5-pentadeuterio-5-[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;(5R)-3,3,4,4,5-pentadeuterio-5-[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;3,3,4,4-tetradeuterio-5-[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;(5S)-3,3,4,4-tetradeuterio-5-[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;(5R)-3,3,4,4-tetradeuterio-5-[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

C150H163N19O29 — CID 159275548

IUPAC3,3,4,4,5-pentadeuterio-5-[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;(5S)-3,3,4,4,5-pentadeuterio-5-[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;(5R)-3,3,4,4,5-pentadeuterio-5-[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;3,3,4,4-tetradeuterio-5-[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;(5S)-3,3,4,4-tetradeuterio-5-[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;(5R)-3,3,4,4-tetradeuterio-5-[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([C@@]1([2H])C(=O)NC(=O)C([2H])([2H])C1([2H])[2H])C2.[2H]c1c([2H])c(OCc2c([2H])c([2H])c(CN3CCOCC3)c([2H])c2[2H])c2c(c1[2H])C(=O)N(C1([2H])C(=O)NC(=O)C([2H])([2H])C1([2H])[2H])C2.[2H]c1c([2H])c(OCc2c([2H])c([2H])c(CN3CCOCC3)c([2H])c2[2H])c2c(c1[2H])C(=O)N(C1C(=O)NC(=O)C([2H])([2H])C1([2H])[2H])C2.[2H]c1c([2H])c(OCc2c([2H])c([2H])c(CN3CCOCC3)c([2H])c2[2H])c2c(c1[2H])C(=O)N([C@@H]1C(=O)NC(=O)C([2H])([2H])C1([2H])[2H])C2.[2H]c1c([2H])c(OCc2c([2H])c([2H])c(CN3CCOCC3)c([2H])c2[2H])c2c(c1[2H])C(=O)N([C@H]1C(=O)NC(=O)C([2H])([2H])C1([2H])[2H])C2.[2H]c1c([2H])c(OCc2c([2H])c([2H])c(CN3CCOCC3)c([2H])c2[2H])c2c(c1[2H])C(=O)N([C@]1([2H])C(=O)NC(=O)C([2H])([2H])C1([2H])[2H])C2
InChIInChI=1S/C25H28N4O4.5C25H27N3O5/c30-23-9-8-22(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;5*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/h1-7,22,26H,8-16H2,(H,27,30,31);5*1-7,21H,8-16H2,(H,26,29,30)/t22-;3*21-;;/m1100../s1/i1D,2D,3D,4D,5D,6D,7D,8D2,9D2,22D;1D,2D,3D,4D,5D,6D,7D,8D2,9D2;1D,2D,3D,4D,5D,6D,7D,8D2,9D2,21D;1D,2D,3D,4D,5D,6D,7D,8D2,9D2;1D,2D,3D,4D,5D,6D,7D,8D2,9D2,21D;1D,2D,3D,4D,5D,6D,7D,8D2,9D2
InChIKeyKYGJMXKHPHRYBI-MUCNCMFOSA-N
MW2765.48 g/mol
LogP11.19
Rot. Bonds36

About 3,3,4,4,5-pentadeuterio-5-[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;(5S)-3,3,4,4,5-pentadeuterio-5-[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;(5R)-3,3,4,4,5-pentadeuterio-5-[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;3,3,4,4-tetradeuterio-5-[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;(5S)-3,3,4,4-tetradeuterio-5-[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;(5R)-3,3,4,4-tetradeuterio-5-[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

3,3,4,4,5-pentadeuterio-5-[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;(5S)-3,3,4,4,5-pentadeuterio-5-[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;(5R)-3,3,4,4,5-pentadeuterio-5-[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;3,3,4,4-tetradeuterio-5-[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;(5S)-3,3,4,4-tetradeuterio-5-[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;(5R)-3,3,4,4-tetradeuterio-5-[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 159275548) has the molecular formula C150H163N19O29 and a molecular weight of 2765.48 g/mol. Its IUPAC name is 3,3,4,4,5-pentadeuterio-5-[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;(5S)-3,3,4,4,5-pentadeuterio-5-[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;(5R)-3,3,4,4,5-pentadeuterio-5-[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;3,3,4,4-tetradeuterio-5-[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;(5S)-3,3,4,4-tetradeuterio-5-[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;(5R)-3,3,4,4-tetradeuterio-5-[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 Name3,3,4,4,5-pentadeuterio-5-[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;(5S)-3,3,4,4,5-pentadeuterio-5-[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;(5R)-3,3,4,4,5-pentadeuterio-5-[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;3,3,4,4-tetradeuterio-5-[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;(5S)-3,3,4,4-tetradeuterio-5-[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;(5R)-3,3,4,4-tetradeuterio-5-[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 CID159275548
Molecular FormulaC150H163N19O29
Molecular Weight2765.48 g/mol
Exact Mass2763.62
IUPAC Name3,3,4,4,5-pentadeuterio-5-[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;(5S)-3,3,4,4,5-pentadeuterio-5-[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;(5R)-3,3,4,4,5-pentadeuterio-5-[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;3,3,4,4-tetradeuterio-5-[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;(5S)-3,3,4,4-tetradeuterio-5-[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;(5R)-3,3,4,4-tetradeuterio-5-[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([C@@]1([2H])C(=O)NC(=O)C([2H])([2H])C1([2H])[2H])C2.[2H]c1c([2H])c(OCc2c([2H])c([2H])c(CN3CCOCC3)c([2H])c2[2H])c2c(c1[2H])C(=O)N(C1([2H])C(=O)NC(=O)C([2H])([2H])C1([2H])[2H])C2.[2H]c1c([2H])c(OCc2c([2H])c([2H])c(CN3CCOCC3)c([2H])c2[2H])c2c(c1[2H])C(=O)N(C1C(=O)NC(=O)C([2H])([2H])C1([2H])[2H])C2.[2H]c1c([2H])c(OCc2c([2H])c([2H])c(CN3CCOCC3)c([2H])c2[2H])c2c(c1[2H])C(=O)N([C@@H]1C(=O)NC(=O)C([2H])([2H])C1([2H])[2H])C2.[2H]c1c([2H])c(OCc2c([2H])c([2H])c(CN3CCOCC3)c([2H])c2[2H])c2c(c1[2H])C(=O)N([C@H]1C(=O)NC(=O)C([2H])([2H])C1([2H])[2H])C2.[2H]c1c([2H])c(OCc2c([2H])c([2H])c(CN3CCOCC3)c([2H])c2[2H])c2c(c1[2H])C(=O)N([C@]1([2H])C(=O)NC(=O)C([2H])([2H])C1([2H])[2H])C2
InChIInChI=1S/C25H28N4O4.5C25H27N3O5/c30-23-9-8-22(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;5*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/h1-7,22,26H,8-16H2,(H,27,30,31);5*1-7,21H,8-16H2,(H,26,29,30)/t22-;3*21-;;/m1100../s1/i1D,2D,3D,4D,5D,6D,7D,8D2,9D2,22D;1D,2D,3D,4D,5D,6D,7D,8D2,9D2;1D,2D,3D,4D,5D,6D,7D,8D2,9D2,21D;1D,2D,3D,4D,5D,6D,7D,8D2,9D2;1D,2D,3D,4D,5D,6D,7D,8D2,9D2,21D;1D,2D,3D,4D,5D,6D,7D,8D2,9D2
InChIKeyKYGJMXKHPHRYBI-MUCNCMFOSA-N
XLogP11.19
TPSA531.88 Ų
H-Bond Donors7
H-Bond Acceptors36
Rotatable Bonds36
Heavy Atoms198
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002765.48
LogP ≤ 511.19
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1036

Analyze 3,3,4,4,5-pentadeuterio-5-[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;(5S)-3,3,4,4,5-pentadeuterio-5-[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;(5R)-3,3,4,4,5-pentadeuterio-5-[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;3,3,4,4-tetradeuterio-5-[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;(5S)-3,3,4,4-tetradeuterio-5-[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;(5R)-3,3,4,4-tetradeuterio-5-[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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3,3,4,4,5-pentadeuterio-5-[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;(5S)-3,3,4,4,5-pentadeuterio-5-[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;(5R)-3,3,4,4,5-pentadeuterio-5-[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;3,3,4,4-tetradeuterio-5-[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;(5S)-3,3,4,4-tetradeuterio-5-[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;(5R)-3,3,4,4-tetradeuterio-5-[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 3,3,4,4,5-pentadeuterio-5-[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;(5S)-3,3,4,4,5-pentadeuterio-5-[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;(5R)-3,3,4,4,5-pentadeuterio-5-[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;3,3,4,4-tetradeuterio-5-[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;(5S)-3,3,4,4-tetradeuterio-5-[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;(5R)-3,3,4,4-tetradeuterio-5-[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 159275548) is 3,3,4,4,5-pentadeuterio-5-[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;(5S)-3,3,4,4,5-pentadeuterio-5-[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;(5R)-3,3,4,4,5-pentadeuterio-5-[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;3,3,4,4-tetradeuterio-5-[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;(5S)-3,3,4,4-tetradeuterio-5-[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;(5R)-3,3,4,4-tetradeuterio-5-[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 3,3,4,4,5-pentadeuterio-5-[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;(5S)-3,3,4,4,5-pentadeuterio-5-[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;(5R)-3,3,4,4,5-pentadeuterio-5-[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;3,3,4,4-tetradeuterio-5-[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;(5S)-3,3,4,4-tetradeuterio-5-[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;(5R)-3,3,4,4-tetradeuterio-5-[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 3,3,4,4,5-pentadeuterio-5-[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;(5S)-3,3,4,4,5-pentadeuterio-5-[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;(5R)-3,3,4,4,5-pentadeuterio-5-[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;3,3,4,4-tetradeuterio-5-[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;(5S)-3,3,4,4-tetradeuterio-5-[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;(5R)-3,3,4,4-tetradeuterio-5-[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([C@@]1([2H])C(=O)NC(=O)C([2H])([2H])C1([2H])[2H])C2.[2H]c1c([2H])c(OCc2c([2H])c([2H])c(CN3CCOCC3)c([2H])c2[2H])c2c(c1[2H])C(=O)N(C1([2H])C(=O)NC(=O)C([2H])([2H])C1([2H])[2H])C2.[2H]c1c([2H])c(OCc2c([2H])c([2H])c(CN3CCOCC3)c([2H])c2[2H])c2c(c1[2H])C(=O)N(C1C(=O)NC(=O)C([2H])([2H])C1([2H])[2H])C2.[2H]c1c([2H])c(OCc2c([2H])c([2H])c(CN3CCOCC3)c([2H])c2[2H])c2c(c1[2H])C(=O)N([C@@H]1C(=O)NC(=O)C([2H])([2H])C1([2H])[2H])C2.[2H]c1c([2H])c(OCc2c([2H])c([2H])c(CN3CCOCC3)c([2H])c2[2H])c2c(c1[2H])C(=O)N([C@H]1C(=O)NC(=O)C([2H])([2H])C1([2H])[2H])C2.[2H]c1c([2H])c(OCc2c([2H])c([2H])c(CN3CCOCC3)c([2H])c2[2H])c2c(c1[2H])C(=O)N([C@]1([2H])C(=O)NC(=O)C([2H])([2H])C1([2H])[2H])C2.
What is the InChIKey of 3,3,4,4,5-pentadeuterio-5-[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;(5S)-3,3,4,4,5-pentadeuterio-5-[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;(5R)-3,3,4,4,5-pentadeuterio-5-[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;3,3,4,4-tetradeuterio-5-[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;(5S)-3,3,4,4-tetradeuterio-5-[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;(5R)-3,3,4,4-tetradeuterio-5-[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 KYGJMXKHPHRYBI-MUCNCMFOSA-N. The full InChI is InChI=1S/C25H28N4O4.5C25H27N3O5/c30-23-9-8-22(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;5*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/h1-7,22,26H,8-16H2,(H,27,30,31);5*1-7,21H,8-16H2,(H,26,29,30)/t22-;3*21-;;/m1100../s1/i1D,2D,3D,4D,5D,6D,7D,8D2,9D2,22D;1D,2D,3D,4D,5D,6D,7D,8D2,9D2;1D,2D,3D,4D,5D,6D,7D,8D2,9D2,21D;1D,2D,3D,4D,5D,6D,7D,8D2,9D2;1D,2D,3D,4D,5D,6D,7D,8D2,9D2,21D;1D,2D,3D,4D,5D,6D,7D,8D2,9D2.
What are the key properties of 3,3,4,4,5-pentadeuterio-5-[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;(5S)-3,3,4,4,5-pentadeuterio-5-[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;(5R)-3,3,4,4,5-pentadeuterio-5-[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;3,3,4,4-tetradeuterio-5-[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;(5S)-3,3,4,4-tetradeuterio-5-[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;(5R)-3,3,4,4-tetradeuterio-5-[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?
3,3,4,4,5-pentadeuterio-5-[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;(5S)-3,3,4,4,5-pentadeuterio-5-[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;(5R)-3,3,4,4,5-pentadeuterio-5-[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;3,3,4,4-tetradeuterio-5-[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;(5S)-3,3,4,4-tetradeuterio-5-[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;(5R)-3,3,4,4-tetradeuterio-5-[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 2765.48 g/mol, XLogP of 11.19, 36 rotatable bonds, 7 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,4,4,5-pentadeuterio-5-[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;(5S)-3,3,4,4,5-pentadeuterio-5-[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;(5R)-3,3,4,4,5-pentadeuterio-5-[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;3,3,4,4-tetradeuterio-5-[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;(5S)-3,3,4,4-tetradeuterio-5-[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;(5R)-3,3,4,4-tetradeuterio-5-[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 159275548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).