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

C25H27FN4O4 — CID 153447272

IUPAC(5R)-3,3,4,4,5-pentadeuterio-5-[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])C(=O)NC(=O)C([2H])([2H])C2([2H])[2H])C3=O)c(F)c([2H])c1CN1CCOCC1
InChIInChI=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,6D2,7D2,12D,22D
InChIKeyBLFGUOVIPZONGE-JVTVLAHYSA-N
MW474.56 g/mol
LogP2.03
Rot. Bonds6

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

(5R)-3,3,4,4,5-pentadeuterio-5-[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 153447272) has the molecular formula C25H27FN4O4 and a molecular weight of 474.56 g/mol. Its IUPAC name is (5R)-3,3,4,4,5-pentadeuterio-5-[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(5R)-3,3,4,4,5-pentadeuterio-5-[3-oxo-7-[[2,3,5-trideuterio-6-fluoro-4-(morpholin-4-ylmethyl)phenyl]methylamino]-1H-isoindol-2-yl]piperidine-2,6-dione
PubChem CID153447272
Molecular FormulaC25H27FN4O4
Molecular Weight474.56 g/mol
Exact Mass474.25
IUPAC Name(5R)-3,3,4,4,5-pentadeuterio-5-[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])C(=O)NC(=O)C([2H])([2H])C2([2H])[2H])C3=O)c(F)c([2H])c1CN1CCOCC1
InChIInChI=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,6D2,7D2,12D,22D
InChIKeyBLFGUOVIPZONGE-JVTVLAHYSA-N
XLogP2.03
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.56
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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

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Launch Full Analysis

Related Compounds

(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
3,3,4,4,5-pentadeuterio-5-[4,5,6-trideuterio-3-oxo-7-[[2,3,5-trideuterio-6-fluoro-4-(morpholin-4-ylmethyl)phenyl]methylamino]-1H-isoindol-2-yl]piperidine-2,6-dione
CID 140817276
3,3,4,4,5-pentadeuterio-5-[7-[[2-fluoro-5-(morpholin-4-ylmethyl)phenyl]methylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 140817837
3,3,4,4,5-pentadeuterio-5-[1,1-dideuterio-7-[[2-fluoro-5-(morpholin-4-ylmethyl)phenyl]methylamino]-3-oxoisoindol-2-yl]piperidine-2,6-dione
CID 140817465
3,3,4,4,5-pentadeuterio-5-[1,1-dideuterio-7-[[2-fluoro-4-(morpholin-4-ylmethyl)phenyl]methylamino]-3-oxoisoindol-2-yl]piperidine-2,6-dione
CID 140817779
3,3,4,4,5-pentadeuterio-5-[3-oxo-7-[[2,4,5-trideuterio-6-fluoro-3-(morpholin-4-ylmethyl)phenyl]methoxy]-1H-isoindol-2-yl]piperidine-2,6-dione
CID 140817533
3,3,4,4,5-pentadeuterio-5-[4,5,6-trideuterio-7-[[4-(morpholin-4-ylmethyl)phenyl]methylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 140818038
(3R)-3-deuterio-3-[3-oxo-7-[[2,3,5-trideuterio-6-fluoro-4-(morpholin-4-ylmethyl)phenyl]methoxy]-1H-isoindol-2-yl]piperidine-2,6-dione
CID 153447351
3,3,4,4,5-pentadeuterio-5-[7-[[5-[dideuterio-(2,2,6,6-tetramethylmorpholin-4-yl)methyl]-2-fluorophenyl]methylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 140817476
(5S)-3,3,4,4,5-pentadeuterio-5-[7-[[4-(morpholin-4-ylmethyl)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 118583001
3-deuterio-3-[7-[[5-[dideuterio(morpholin-4-yl)methyl]-2-fluorophenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-deuterio-3-[7-[[5-[dideuterio(morpholin-4-yl)methyl]-2-fluorophenyl]methylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[[5-[dideuterio(morpholin-4-yl)methyl]-2-fluorophenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[[5-[dideuterio(morpholin-4-yl)methyl]-2-fluorophenyl]methylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3,3,4,4,5-pentadeuterio-5-[7-[dideuterio-[2-fluoro-5-(morpholin-4-ylmethyl)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 157483088
(3R)-3-deuterio-3-[3-oxo-7-[[2,3,5,6-tetradeuterio-4-(morpholin-4-ylmethyl)phenyl]methylamino]-1H-isoindol-2-yl]piperidine-2,6-dione;(3S)-3-deuterio-3-[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-[3-oxo-7-[[2,3,5,6-tetradeuterio-4-(morpholin-4-ylmethyl)phenyl]methylamino]-1H-isoindol-2-yl]piperidine-2,6-dione;(3R)-3-[3-oxo-7-[[2,3,5,6-tetradeuterio-4-(morpholin-4-ylmethyl)phenyl]methoxy]-1H-isoindol-2-yl]piperidine-2,6-dione;(3S)-3-[3-oxo-7-[[2,3,5,6-tetradeuterio-4-(morpholin-4-ylmethyl)phenyl]methoxy]-1H-isoindol-2-yl]piperidine-2,6-dione;3-[3-oxo-7-[[2,3,5,6-tetradeuterio-4-(morpholin-4-ylmethyl)phenyl]methoxy]-1H-isoindol-2-yl]piperidine-2,6-dione
CID 162068963

Frequently Asked Questions

What is the IUPAC name of (5R)-3,3,4,4,5-pentadeuterio-5-[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 (5R)-3,3,4,4,5-pentadeuterio-5-[3-oxo-7-[[2,3,5-trideuterio-6-fluoro-4-(morpholin-4-ylmethyl)phenyl]methylamino]-1H-isoindol-2-yl]piperidine-2,6-dione (CID 153447272) is (5R)-3,3,4,4,5-pentadeuterio-5-[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 (5R)-3,3,4,4,5-pentadeuterio-5-[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 (5R)-3,3,4,4,5-pentadeuterio-5-[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])C(=O)NC(=O)C([2H])([2H])C2([2H])[2H])C3=O)c(F)c([2H])c1CN1CCOCC1.
What is the InChIKey of (5R)-3,3,4,4,5-pentadeuterio-5-[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-JVTVLAHYSA-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,6D2,7D2,12D,22D.
What are the key properties of (5R)-3,3,4,4,5-pentadeuterio-5-[3-oxo-7-[[2,3,5-trideuterio-6-fluoro-4-(morpholin-4-ylmethyl)phenyl]methylamino]-1H-isoindol-2-yl]piperidine-2,6-dione?
(5R)-3,3,4,4,5-pentadeuterio-5-[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 474.56 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 (5R)-3,3,4,4,5-pentadeuterio-5-[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 153447272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).