(3R)-3-deuterio-3-[3-oxo-7-[[2,3,5-trideuterio-6-fluoro-4-(morpholin-4-ylmethyl)phenyl]methylamino]-1H-isoindol-2-yl]piperidine-2,6-dione

About (3R)-3-deuterio-3-[3-oxo-7-[[2,3,5-trideuterio-6-fluoro-4-(morpholin-4-ylmethyl)phenyl]methylamino]-1H-isoindol-2-yl]piperidine-2,6-dione

(3R)-3-deuterio-3-[3-oxo-7-[[2,3,5-trideuterio-6-fluoro-4-(morpholin-4-ylmethyl)phenyl]methylamino]-1H-isoindol-2-yl]piperidine-2,6-dione (PubChem CID 153447353) has the molecular formula C25H27FN4O4 and a molecular weight of 470.54 g/mol. Its IUPAC name is (3R)-3-deuterio-3-[3-oxo-7-[[2,3,5-trideuterio-6-fluoro-4-(morpholin-4-ylmethyl)phenyl]methylamino]-1H-isoindol-2-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name	(3R)-3-deuterio-3-[3-oxo-7-[[2,3,5-trideuterio-6-fluoro-4-(morpholin-4-ylmethyl)phenyl]methylamino]-1H-isoindol-2-yl]piperidine-2,6-dione
PubChem CID	153447353
Molecular Formula	C25H27FN4O4
Molecular Weight	470.54 g/mol
Exact Mass	470.23
IUPAC Name	(3R)-3-deuterio-3-[3-oxo-7-[[2,3,5-trideuterio-6-fluoro-4-(morpholin-4-ylmethyl)phenyl]methylamino]-1H-isoindol-2-yl]piperidine-2,6-dione
SMILES	[2H]c1c([2H])c(CNc2cccc3c2CN([C@]2([2H])CCC(=O)NC2=O)C3=O)c(F)c([2H])c1CN1CCOCC1
InChI	InChI=1S/C25H27FN4O4/c26-20-12-16(14-29-8-10-34-11-9-29)4-5-17(20)13-27-21-3-1-2-18-19(21)15-30(25(18)33)22-6-7-23(31)28-24(22)32/h1-5,12,22,27H,6-11,13-15H2,(H,28,31,32)/t22-/m1/s1/i4D,5D,12D,22D
InChIKey	BLFGUOVIPZONGE-XWVZVJCESA-N
XLogP	2.03
TPSA	90.98 Å²
H-Bond Donors	2
H-Bond Acceptors	6
Rotatable Bonds	6
Heavy Atoms	34
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	470.54
LogP ≤ 5	2.03
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

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

The IUPAC name of (3R)-3-deuterio-3-[3-oxo-7-[[2,3,5-trideuterio-6-fluoro-4-(morpholin-4-ylmethyl)phenyl]methylamino]-1H-isoindol-2-yl]piperidine-2,6-dione (CID 153447353) is (3R)-3-deuterio-3-[3-oxo-7-[[2,3,5-trideuterio-6-fluoro-4-(morpholin-4-ylmethyl)phenyl]methylamino]-1H-isoindol-2-yl]piperidine-2,6-dione.

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

The canonical SMILES for (3R)-3-deuterio-3-[3-oxo-7-[[2,3,5-trideuterio-6-fluoro-4-(morpholin-4-ylmethyl)phenyl]methylamino]-1H-isoindol-2-yl]piperidine-2,6-dione is [2H]c1c([2H])c(CNc2cccc3c2CN([C@]2([2H])CCC(=O)NC2=O)C3=O)c(F)c([2H])c1CN1CCOCC1.

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

The InChIKey is BLFGUOVIPZONGE-XWVZVJCESA-N. The full InChI is InChI=1S/C25H27FN4O4/c26-20-12-16(14-29-8-10-34-11-9-29)4-5-17(20)13-27-21-3-1-2-18-19(21)15-30(25(18)33)22-6-7-23(31)28-24(22)32/h1-5,12,22,27H,6-11,13-15H2,(H,28,31,32)/t22-/m1/s1/i4D,5D,12D,22D.

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

(3R)-3-deuterio-3-[3-oxo-7-[[2,3,5-trideuterio-6-fluoro-4-(morpholin-4-ylmethyl)phenyl]methylamino]-1H-isoindol-2-yl]piperidine-2,6-dione has a molecular weight of 470.54 g/mol, XLogP of 2.03, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-3-deuterio-3-[3-oxo-7-[[2,3,5-trideuterio-6-fluoro-4-(morpholin-4-ylmethyl)phenyl]methylamino]-1H-isoindol-2-yl]piperidine-2,6-dione is sourced from PubChem (CID 153447353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).