(3R)-3-deuterio-3-[7-[(2-fluoro-4-hydroxyphenyl)methylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;(3S)-3-deuterio-3-[7-[(2-fluoro-4-hydroxyphenyl)methylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-deuterio-3-[7-[(2-fluoro-4-hydroxyphenyl)methylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;(3R)-3-[7-[(2-fluoro-4-hydroxyphenyl)methylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;(3S)-3-[7-[(2-fluoro-4-hydroxyphenyl)methylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[(2-fluoro-4-hydroxyphenyl)methylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione

C120H108F6N18O24 — CID 157145688

IUPAC(3R)-3-deuterio-3-[7-[(2-fluoro-4-hydroxyphenyl)methylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;(3S)-3-deuterio-3-[7-[(2-fluoro-4-hydroxyphenyl)methylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-deuterio-3-[7-[(2-fluoro-4-hydroxyphenyl)methylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;(3R)-3-[7-[(2-fluoro-4-hydroxyphenyl)methylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;(3S)-3-[7-[(2-fluoro-4-hydroxyphenyl)methylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[(2-fluoro-4-hydroxyphenyl)methylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
SMILESO=C1CCC(N2Cc3c(NCc4ccc(O)cc4F)cccc3C2=O)C(=O)N1.O=C1CC[C@@H](N2Cc3c(NCc4ccc(O)cc4F)cccc3C2=O)C(=O)N1.O=C1CC[C@H](N2Cc3c(NCc4ccc(O)cc4F)cccc3C2=O)C(=O)N1.[2H]C1(N2Cc3c(NCc4ccc(O)cc4F)cccc3C2=O)CCC(=O)NC1=O.[2H][C@@]1(N2Cc3c(NCc4ccc(O)cc4F)cccc3C2=O)CCC(=O)NC1=O.[2H][C@]1(N2Cc3c(NCc4ccc(O)cc4F)cccc3C2=O)CCC(=O)NC1=O
InChIInChI=1S/6C20H18FN3O4/c6*21-15-8-12(25)5-4-11(15)9-22-16-3-1-2-13-14(16)10-24(20(13)28)17-6-7-18(26)23-19(17)27/h6*1-5,8,17,22,25H,6-7,9-10H2,(H,23,26,27)/t4*17-;;/m1100../s1/i17D;;17D;;17D;
InChIKeyAKRGBRYCFSPFPS-RLEBJWIUSA-N
MW2303.29 g/mol
LogP11.43
Rot. Bonds24

About (3R)-3-deuterio-3-[7-[(2-fluoro-4-hydroxyphenyl)methylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;(3S)-3-deuterio-3-[7-[(2-fluoro-4-hydroxyphenyl)methylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-deuterio-3-[7-[(2-fluoro-4-hydroxyphenyl)methylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;(3R)-3-[7-[(2-fluoro-4-hydroxyphenyl)methylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;(3S)-3-[7-[(2-fluoro-4-hydroxyphenyl)methylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[(2-fluoro-4-hydroxyphenyl)methylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione

(3R)-3-deuterio-3-[7-[(2-fluoro-4-hydroxyphenyl)methylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;(3S)-3-deuterio-3-[7-[(2-fluoro-4-hydroxyphenyl)methylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-deuterio-3-[7-[(2-fluoro-4-hydroxyphenyl)methylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;(3R)-3-[7-[(2-fluoro-4-hydroxyphenyl)methylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;(3S)-3-[7-[(2-fluoro-4-hydroxyphenyl)methylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[(2-fluoro-4-hydroxyphenyl)methylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (PubChem CID 157145688) has the molecular formula C120H108F6N18O24 and a molecular weight of 2303.29 g/mol. Its IUPAC name is (3R)-3-deuterio-3-[7-[(2-fluoro-4-hydroxyphenyl)methylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;(3S)-3-deuterio-3-[7-[(2-fluoro-4-hydroxyphenyl)methylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-deuterio-3-[7-[(2-fluoro-4-hydroxyphenyl)methylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;(3R)-3-[7-[(2-fluoro-4-hydroxyphenyl)methylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;(3S)-3-[7-[(2-fluoro-4-hydroxyphenyl)methylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[(2-fluoro-4-hydroxyphenyl)methylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name(3R)-3-deuterio-3-[7-[(2-fluoro-4-hydroxyphenyl)methylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;(3S)-3-deuterio-3-[7-[(2-fluoro-4-hydroxyphenyl)methylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-deuterio-3-[7-[(2-fluoro-4-hydroxyphenyl)methylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;(3R)-3-[7-[(2-fluoro-4-hydroxyphenyl)methylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;(3S)-3-[7-[(2-fluoro-4-hydroxyphenyl)methylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[(2-fluoro-4-hydroxyphenyl)methylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
PubChem CID157145688
Molecular FormulaC120H108F6N18O24
Molecular Weight2303.29 g/mol
Exact Mass2301.79
IUPAC Name(3R)-3-deuterio-3-[7-[(2-fluoro-4-hydroxyphenyl)methylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;(3S)-3-deuterio-3-[7-[(2-fluoro-4-hydroxyphenyl)methylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-deuterio-3-[7-[(2-fluoro-4-hydroxyphenyl)methylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;(3R)-3-[7-[(2-fluoro-4-hydroxyphenyl)methylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;(3S)-3-[7-[(2-fluoro-4-hydroxyphenyl)methylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[(2-fluoro-4-hydroxyphenyl)methylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
SMILESO=C1CCC(N2Cc3c(NCc4ccc(O)cc4F)cccc3C2=O)C(=O)N1.O=C1CC[C@@H](N2Cc3c(NCc4ccc(O)cc4F)cccc3C2=O)C(=O)N1.O=C1CC[C@H](N2Cc3c(NCc4ccc(O)cc4F)cccc3C2=O)C(=O)N1.[2H]C1(N2Cc3c(NCc4ccc(O)cc4F)cccc3C2=O)CCC(=O)NC1=O.[2H][C@@]1(N2Cc3c(NCc4ccc(O)cc4F)cccc3C2=O)CCC(=O)NC1=O.[2H][C@]1(N2Cc3c(NCc4ccc(O)cc4F)cccc3C2=O)CCC(=O)NC1=O
InChIInChI=1S/6C20H18FN3O4/c6*21-15-8-12(25)5-4-11(15)9-22-16-3-1-2-13-14(16)10-24(20(13)28)17-6-7-18(26)23-19(17)27/h6*1-5,8,17,22,25H,6-7,9-10H2,(H,23,26,27)/t4*17-;;/m1100../s1/i17D;;17D;;17D;
InChIKeyAKRGBRYCFSPFPS-RLEBJWIUSA-N
XLogP11.43
TPSA592.44 Ų
H-Bond Donors18
H-Bond Acceptors30
Rotatable Bonds24
Heavy Atoms168
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002303.29
LogP ≤ 511.43
H-Bond Donors ≤ 518
H-Bond Acceptors ≤ 1030

Computed Properties (RDKit)

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

Analyze (3R)-3-deuterio-3-[7-[(2-fluoro-4-hydroxyphenyl)methylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;(3S)-3-deuterio-3-[7-[(2-fluoro-4-hydroxyphenyl)methylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-deuterio-3-[7-[(2-fluoro-4-hydroxyphenyl)methylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;(3R)-3-[7-[(2-fluoro-4-hydroxyphenyl)methylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;(3S)-3-[7-[(2-fluoro-4-hydroxyphenyl)methylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[(2-fluoro-4-hydroxyphenyl)methylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione with MolForge

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Related Compounds

CID 161004296
CID 161004296
5-[4-[5-[3-[(1R,2S)-2-(4-fluorophenyl)-6-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]pentyl]piperazin-1-yl]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;5-[4-[5-[3-[(1R,2S)-2-(4-fluorophenyl)-6-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]pentyl]piperazin-1-yl]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;5-[4-[5-[3-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]pentyl]piperazin-1-yl]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;5-[4-[5-[3-[(1R,2S)-6-hydroxy-2-[4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]pentyl]piperazin-1-yl]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;5-[4-[5-[3-[(1R,2S)-6-hydroxy-2-[4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]pentyl]piperazin-1-yl]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one
CID 161340867
2-(2,6-Dioxopiperidin-3-yl)-5-fluoro-6-[5-[[1-[4-[1-(4-hydroxyphenyl)-2-phenylbut-1-enyl]phenyl]piperidin-4-yl]methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]isoindole-1,3-dione
CID 168160718
5-[5-[[1-[4-[1,2-Bis(4-hydroxyphenyl)but-1-enyl]phenyl]piperidin-4-yl]methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-(2,6-dioxopiperidin-3-yl)-6-fluoroisoindole-1,3-dione
CID 168160796
5-[5-[[1-[4-[1,2-Bis(4-hydroxyphenyl)but-1-enyl]phenyl]piperidin-4-yl]methyl]-2,5-diazabicyclo[2.2.2]octan-2-yl]-2-(2,6-dioxopiperidin-3-yl)-6-fluoroisoindole-1,3-dione
CID 168160897
2-(2,6-Dioxopiperidin-3-yl)-5-fluoro-6-[5-[[1-[4-[1-(4-hydroxyphenyl)-2-phenylbut-1-enyl]phenyl]piperidin-4-yl]methyl]-2,5-diazabicyclo[2.2.2]octan-2-yl]isoindole-1,3-dione
CID 168160901
(3R)-3-deuterio-3-[5-fluoro-7-[(2-fluoro-3-methoxyphenyl)methylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;(3S)-3-deuterio-3-[5-fluoro-7-[(2-fluoro-4-methoxyphenyl)methylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-deuterio-3-[5-fluoro-7-[(2-fluoro-4-methoxyphenyl)methylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;(3R)-3-[5-fluoro-7-[(2-fluoro-4-methoxyphenyl)methylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;(3S)-3-[5-fluoro-7-[(2-fluoro-4-methoxyphenyl)methylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[5-fluoro-7-[(2-fluoro-4-methoxyphenyl)methylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 157092114
(3R)-3-[7-[(4-amino-2-fluorophenyl)methylamino]-3-oxo-1H-isoindol-2-yl]-3-deuteriopiperidine-2,6-dione;(3S)-3-[7-[(4-amino-2-fluorophenyl)methylamino]-3-oxo-1H-isoindol-2-yl]-3-deuteriopiperidine-2,6-dione;3-[7-[(4-amino-2-fluorophenyl)methylamino]-3-oxo-1H-isoindol-2-yl]-3-deuteriopiperidine-2,6-dione;(3R)-3-[7-[(4-amino-2-fluorophenyl)methylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;(3S)-3-[7-[(4-amino-2-fluorophenyl)methylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[(4-amino-2-fluorophenyl)methylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 157349049
(3R)-3-deuterio-3-[7-[[2-fluoro-5-(2-morpholin-4-ylethoxy)phenyl]methylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;(3S)-3-deuterio-3-[7-[[2-fluoro-5-(2-morpholin-4-ylethoxy)phenyl]methylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-deuterio-3-[7-[[2-fluoro-5-(2-morpholin-4-ylethoxy)phenyl]methylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;(3S)-3-[7-[[2-fluoro-5-(3-morpholin-4-ylpropoxy)phenyl]methylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[[2-fluoro-5-(3-morpholin-4-ylpropoxy)phenyl]methylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 157374256
3-deuterio-3-[7-[[2-fluoro-5-[(2,2,3,3,5,5,6,6-octadeuteriomorpholin-4-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3,3,4,4,5-pentadeuterio-5-[7-[[2-fluoro-5-[(2,2,3,3,5,5,6,6-octadeuteriomorpholin-4-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3,3,4,4,5-pentadeuterio-5-[7-[[2-fluoro-5-[(2,2,3,3,5,5,6,6-octadeuteriomorpholin-4-yl)methyl]phenyl]methylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3,3,4,4-tetradeuterio-5-[7-[[2-fluoro-5-[(2,2,3,3,5,5,6,6-octadeuteriomorpholin-4-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3,3,4,4-tetradeuterio-5-[7-[[2-fluoro-5-[(2,2,3,3,5,5,6,6-octadeuteriomorpholin-4-yl)methyl]phenyl]methylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 157483083
(3R)-3-deuterio-3-[7-[[2-fluoro-5-(morpholin-4-ylmethyl)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3,3,4,4,5-pentadeuterio-5-[7-[[2-fluoro-5-(morpholin-4-ylmethyl)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;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;3,3,4,4-tetradeuterio-5-[7-[[2-fluoro-5-(morpholin-4-ylmethyl)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3,3,4,4-tetradeuterio-5-[7-[[2-fluoro-5-(morpholin-4-ylmethyl)phenyl]methylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 157483084
3-deuterio-3-[4,5,6-trideuterio-7-[[2-fluoro-5-(morpholin-4-ylmethyl)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3,3,4,4,5-pentadeuterio-5-[4,5,6-trideuterio-7-[[2-fluoro-5-(morpholin-4-ylmethyl)phenyl]methylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3,3,4,4-tetradeuterio-5-[4,5,6-trideuterio-7-[[2-fluoro-5-(morpholin-4-ylmethyl)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3,3,4,4-tetradeuterio-5-[4,5,6-trideuterio-7-[[2-fluoro-5-(morpholin-4-ylmethyl)phenyl]methylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[4,5,6-trideuterio-7-[[2-fluoro-5-(morpholin-4-ylmethyl)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 157483085

Frequently Asked Questions

What is the IUPAC name of (3R)-3-deuterio-3-[7-[(2-fluoro-4-hydroxyphenyl)methylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;(3S)-3-deuterio-3-[7-[(2-fluoro-4-hydroxyphenyl)methylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-deuterio-3-[7-[(2-fluoro-4-hydroxyphenyl)methylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;(3R)-3-[7-[(2-fluoro-4-hydroxyphenyl)methylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;(3S)-3-[7-[(2-fluoro-4-hydroxyphenyl)methylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[(2-fluoro-4-hydroxyphenyl)methylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
The IUPAC name of (3R)-3-deuterio-3-[7-[(2-fluoro-4-hydroxyphenyl)methylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;(3S)-3-deuterio-3-[7-[(2-fluoro-4-hydroxyphenyl)methylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-deuterio-3-[7-[(2-fluoro-4-hydroxyphenyl)methylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;(3R)-3-[7-[(2-fluoro-4-hydroxyphenyl)methylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;(3S)-3-[7-[(2-fluoro-4-hydroxyphenyl)methylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[(2-fluoro-4-hydroxyphenyl)methylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (CID 157145688) is (3R)-3-deuterio-3-[7-[(2-fluoro-4-hydroxyphenyl)methylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;(3S)-3-deuterio-3-[7-[(2-fluoro-4-hydroxyphenyl)methylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-deuterio-3-[7-[(2-fluoro-4-hydroxyphenyl)methylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;(3R)-3-[7-[(2-fluoro-4-hydroxyphenyl)methylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;(3S)-3-[7-[(2-fluoro-4-hydroxyphenyl)methylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[(2-fluoro-4-hydroxyphenyl)methylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione.
What is the SMILES notation for (3R)-3-deuterio-3-[7-[(2-fluoro-4-hydroxyphenyl)methylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;(3S)-3-deuterio-3-[7-[(2-fluoro-4-hydroxyphenyl)methylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-deuterio-3-[7-[(2-fluoro-4-hydroxyphenyl)methylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;(3R)-3-[7-[(2-fluoro-4-hydroxyphenyl)methylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;(3S)-3-[7-[(2-fluoro-4-hydroxyphenyl)methylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[(2-fluoro-4-hydroxyphenyl)methylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
The canonical SMILES for (3R)-3-deuterio-3-[7-[(2-fluoro-4-hydroxyphenyl)methylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;(3S)-3-deuterio-3-[7-[(2-fluoro-4-hydroxyphenyl)methylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-deuterio-3-[7-[(2-fluoro-4-hydroxyphenyl)methylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;(3R)-3-[7-[(2-fluoro-4-hydroxyphenyl)methylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;(3S)-3-[7-[(2-fluoro-4-hydroxyphenyl)methylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[(2-fluoro-4-hydroxyphenyl)methylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is O=C1CCC(N2Cc3c(NCc4ccc(O)cc4F)cccc3C2=O)C(=O)N1.O=C1CC[C@@H](N2Cc3c(NCc4ccc(O)cc4F)cccc3C2=O)C(=O)N1.O=C1CC[C@H](N2Cc3c(NCc4ccc(O)cc4F)cccc3C2=O)C(=O)N1.[2H]C1(N2Cc3c(NCc4ccc(O)cc4F)cccc3C2=O)CCC(=O)NC1=O.[2H][C@@]1(N2Cc3c(NCc4ccc(O)cc4F)cccc3C2=O)CCC(=O)NC1=O.[2H][C@]1(N2Cc3c(NCc4ccc(O)cc4F)cccc3C2=O)CCC(=O)NC1=O.
What is the InChIKey of (3R)-3-deuterio-3-[7-[(2-fluoro-4-hydroxyphenyl)methylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;(3S)-3-deuterio-3-[7-[(2-fluoro-4-hydroxyphenyl)methylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-deuterio-3-[7-[(2-fluoro-4-hydroxyphenyl)methylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;(3R)-3-[7-[(2-fluoro-4-hydroxyphenyl)methylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;(3S)-3-[7-[(2-fluoro-4-hydroxyphenyl)methylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[(2-fluoro-4-hydroxyphenyl)methylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
The InChIKey is AKRGBRYCFSPFPS-RLEBJWIUSA-N. The full InChI is InChI=1S/6C20H18FN3O4/c6*21-15-8-12(25)5-4-11(15)9-22-16-3-1-2-13-14(16)10-24(20(13)28)17-6-7-18(26)23-19(17)27/h6*1-5,8,17,22,25H,6-7,9-10H2,(H,23,26,27)/t4*17-;;/m1100../s1/i17D;;17D;;17D;.
What are the key properties of (3R)-3-deuterio-3-[7-[(2-fluoro-4-hydroxyphenyl)methylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;(3S)-3-deuterio-3-[7-[(2-fluoro-4-hydroxyphenyl)methylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-deuterio-3-[7-[(2-fluoro-4-hydroxyphenyl)methylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;(3R)-3-[7-[(2-fluoro-4-hydroxyphenyl)methylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;(3S)-3-[7-[(2-fluoro-4-hydroxyphenyl)methylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[(2-fluoro-4-hydroxyphenyl)methylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
(3R)-3-deuterio-3-[7-[(2-fluoro-4-hydroxyphenyl)methylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;(3S)-3-deuterio-3-[7-[(2-fluoro-4-hydroxyphenyl)methylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-deuterio-3-[7-[(2-fluoro-4-hydroxyphenyl)methylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;(3R)-3-[7-[(2-fluoro-4-hydroxyphenyl)methylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;(3S)-3-[7-[(2-fluoro-4-hydroxyphenyl)methylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[(2-fluoro-4-hydroxyphenyl)methylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione has a molecular weight of 2303.29 g/mol, XLogP of 11.43, 24 rotatable bonds, 18 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-deuterio-3-[7-[(2-fluoro-4-hydroxyphenyl)methylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;(3S)-3-deuterio-3-[7-[(2-fluoro-4-hydroxyphenyl)methylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-deuterio-3-[7-[(2-fluoro-4-hydroxyphenyl)methylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;(3R)-3-[7-[(2-fluoro-4-hydroxyphenyl)methylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;(3S)-3-[7-[(2-fluoro-4-hydroxyphenyl)methylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[(2-fluoro-4-hydroxyphenyl)methylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is sourced from PubChem (CID 157145688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).