(5R)-3,3,4,4,5-pentadeuterio-5-[1,1-dideuterio-7-[dideuterio-[4-[dideuterio(morpholin-4-yl)methyl]-2-fluorophenyl]methoxy]-3-oxoisoindol-2-yl]piperidine-2,6-dione

C25H26FN3O5 — CID 153447270

IUPAC(5R)-3,3,4,4,5-pentadeuterio-5-[1,1-dideuterio-7-[dideuterio-[4-[dideuterio(morpholin-4-yl)methyl]-2-fluorophenyl]methoxy]-3-oxoisoindol-2-yl]piperidine-2,6-dione

SMILES[2H]C([2H])(Oc1cccc2c1C([2H])([2H])N([C@@]1([2H])C(=O)NC(=O)C([2H])([2H])C1([2H])[2H])C2=O)c1ccc(C([2H])([2H])N2CCOCC2)cc1F

InChIInChI=1S/C25H26FN3O5/c26-20-12-16(13-28-8-10-33-11-9-28)4-5-17(20)15-34-22-3-1-2-18-19(22)14-29(25(18)32)21-6-7-23(30)27-24(21)31/h1-5,12,21H,6-11,13-15H2,(H,27,30,31)/t21-/m1/s1/i6D2,7D2,13D2,14D2,15D2,21D

InChIKeyLSWTTWZVLFJNEN-QMPYNTADSA-N

MW478.56 g/mol

LogP2.00

Rot. Bonds6

About (5R)-3,3,4,4,5-pentadeuterio-5-[1,1-dideuterio-7-[dideuterio-[4-[dideuterio(morpholin-4-yl)methyl]-2-fluorophenyl]methoxy]-3-oxoisoindol-2-yl]piperidine-2,6-dione

(5R)-3,3,4,4,5-pentadeuterio-5-[1,1-dideuterio-7-[dideuterio-[4-[dideuterio(morpholin-4-yl)methyl]-2-fluorophenyl]methoxy]-3-oxoisoindol-2-yl]piperidine-2,6-dione (PubChem CID 153447270) has the molecular formula C25H26FN3O5 and a molecular weight of 478.56 g/mol. Its IUPAC name is (5R)-3,3,4,4,5-pentadeuterio-5-[1,1-dideuterio-7-[dideuterio-[4-[dideuterio(morpholin-4-yl)methyl]-2-fluorophenyl]methoxy]-3-oxoisoindol-2-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name	(5R)-3,3,4,4,5-pentadeuterio-5-[1,1-dideuterio-7-[dideuterio-[4-[dideuterio(morpholin-4-yl)methyl]-2-fluorophenyl]methoxy]-3-oxoisoindol-2-yl]piperidine-2,6-dione
PubChem CID	153447270
Molecular Formula	C25H26FN3O5
Molecular Weight	478.56 g/mol
Exact Mass	478.25
IUPAC Name	(5R)-3,3,4,4,5-pentadeuterio-5-[1,1-dideuterio-7-[dideuterio-[4-[dideuterio(morpholin-4-yl)methyl]-2-fluorophenyl]methoxy]-3-oxoisoindol-2-yl]piperidine-2,6-dione
SMILES	[2H]C([2H])(Oc1cccc2c1C([2H])([2H])N([C@@]1([2H])C(=O)NC(=O)C([2H])([2H])C1([2H])[2H])C2=O)c1ccc(C([2H])([2H])N2CCOCC2)cc1F
InChI	InChI=1S/C25H26FN3O5/c26-20-12-16(13-28-8-10-33-11-9-28)4-5-17(20)15-34-22-3-1-2-18-19(22)14-29(25(18)32)21-6-7-23(30)27-24(21)31/h1-5,12,21H,6-11,13-15H2,(H,27,30,31)/t21-/m1/s1/i6D2,7D2,13D2,14D2,15D2,21D
InChIKey	LSWTTWZVLFJNEN-QMPYNTADSA-N
XLogP	2.00
TPSA	88.18 Å²
H-Bond Donors	1
H-Bond Acceptors	6
Rotatable Bonds	6
Heavy Atoms	34
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	478.56
LogP ≤ 5	2.00
H-Bond Donors ≤ 5	1
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 (5R)-3,3,4,4,5-pentadeuterio-5-[1,1-dideuterio-7-[dideuterio-[4-[dideuterio(morpholin-4-yl)methyl]-2-fluorophenyl]methoxy]-3-oxoisoindol-2-yl]piperidine-2,6-dione?

The IUPAC name of (5R)-3,3,4,4,5-pentadeuterio-5-[1,1-dideuterio-7-[dideuterio-[4-[dideuterio(morpholin-4-yl)methyl]-2-fluorophenyl]methoxy]-3-oxoisoindol-2-yl]piperidine-2,6-dione (CID 153447270) is (5R)-3,3,4,4,5-pentadeuterio-5-[1,1-dideuterio-7-[dideuterio-[4-[dideuterio(morpholin-4-yl)methyl]-2-fluorophenyl]methoxy]-3-oxoisoindol-2-yl]piperidine-2,6-dione.

What is the SMILES notation for (5R)-3,3,4,4,5-pentadeuterio-5-[1,1-dideuterio-7-[dideuterio-[4-[dideuterio(morpholin-4-yl)methyl]-2-fluorophenyl]methoxy]-3-oxoisoindol-2-yl]piperidine-2,6-dione?

The canonical SMILES for (5R)-3,3,4,4,5-pentadeuterio-5-[1,1-dideuterio-7-[dideuterio-[4-[dideuterio(morpholin-4-yl)methyl]-2-fluorophenyl]methoxy]-3-oxoisoindol-2-yl]piperidine-2,6-dione is [2H]C([2H])(Oc1cccc2c1C([2H])([2H])N([C@@]1([2H])C(=O)NC(=O)C([2H])([2H])C1([2H])[2H])C2=O)c1ccc(C([2H])([2H])N2CCOCC2)cc1F.

What is the InChIKey of (5R)-3,3,4,4,5-pentadeuterio-5-[1,1-dideuterio-7-[dideuterio-[4-[dideuterio(morpholin-4-yl)methyl]-2-fluorophenyl]methoxy]-3-oxoisoindol-2-yl]piperidine-2,6-dione?

The InChIKey is LSWTTWZVLFJNEN-QMPYNTADSA-N. The full InChI is InChI=1S/C25H26FN3O5/c26-20-12-16(13-28-8-10-33-11-9-28)4-5-17(20)15-34-22-3-1-2-18-19(22)14-29(25(18)32)21-6-7-23(30)27-24(21)31/h1-5,12,21H,6-11,13-15H2,(H,27,30,31)/t21-/m1/s1/i6D2,7D2,13D2,14D2,15D2,21D.

What are the key properties of (5R)-3,3,4,4,5-pentadeuterio-5-[1,1-dideuterio-7-[dideuterio-[4-[dideuterio(morpholin-4-yl)methyl]-2-fluorophenyl]methoxy]-3-oxoisoindol-2-yl]piperidine-2,6-dione?

(5R)-3,3,4,4,5-pentadeuterio-5-[1,1-dideuterio-7-[dideuterio-[4-[dideuterio(morpholin-4-yl)methyl]-2-fluorophenyl]methoxy]-3-oxoisoindol-2-yl]piperidine-2,6-dione has a molecular weight of 478.56 g/mol, XLogP of 2.00, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (5R)-3,3,4,4,5-pentadeuterio-5-[1,1-dideuterio-7-[dideuterio-[4-[dideuterio(morpholin-4-yl)methyl]-2-fluorophenyl]methoxy]-3-oxoisoindol-2-yl]piperidine-2,6-dione is sourced from PubChem (CID 153447270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).