(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

C126H114F12N18O24 — CID 157092114

IUPAC(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
SMILESCOc1ccc(CNc2cc(F)cc3c2CN(C2CCC(=O)NC2=O)C3=O)c(F)c1.COc1ccc(CNc2cc(F)cc3c2CN([C@@H]2CCC(=O)NC2=O)C3=O)c(F)c1.COc1ccc(CNc2cc(F)cc3c2CN([C@H]2CCC(=O)NC2=O)C3=O)c(F)c1.[2H]C1(N2Cc3c(NCc4ccc(OC)cc4F)cc(F)cc3C2=O)CCC(=O)NC1=O.[2H][C@@]1(N2Cc3c(NCc4cccc(OC)c4F)cc(F)cc3C2=O)CCC(=O)NC1=O.[2H][C@]1(N2Cc3c(NCc4ccc(OC)cc4F)cc(F)cc3C2=O)CCC(=O)NC1=O
InChIInChI=1S/6C21H19F2N3O4/c5*1-30-13-3-2-11(16(23)8-13)9-24-17-7-12(22)6-14-15(17)10-26(21(14)29)18-4-5-19(27)25-20(18)28;1-30-17-4-2-3-11(19(17)23)9-24-15-8-12(22)7-13-14(15)10-26(21(13)29)16-5-6-18(27)25-20(16)28/h5*2-3,6-8,18,24H,4-5,9-10H2,1H3,(H,25,27,28);2-4,7-8,16,24H,5-6,9-10H2,1H3,(H,25,27,28)/t3*18-;;;16-/m100..1/s1/i;18D;;18D;;16D
InChIKeyAETZNDWQSZRDND-RTZPVYQESA-N
MW2495.39 g/mol
LogP14.08
Rot. Bonds30

About (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

(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 (PubChem CID 157092114) has the molecular formula C126H114F12N18O24 and a molecular weight of 2495.39 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID157092114
Molecular FormulaC126H114F12N18O24
Molecular Weight2495.39 g/mol
Exact Mass2493.83
IUPAC Name(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
SMILESCOc1ccc(CNc2cc(F)cc3c2CN(C2CCC(=O)NC2=O)C3=O)c(F)c1.COc1ccc(CNc2cc(F)cc3c2CN([C@@H]2CCC(=O)NC2=O)C3=O)c(F)c1.COc1ccc(CNc2cc(F)cc3c2CN([C@H]2CCC(=O)NC2=O)C3=O)c(F)c1.[2H]C1(N2Cc3c(NCc4ccc(OC)cc4F)cc(F)cc3C2=O)CCC(=O)NC1=O.[2H][C@@]1(N2Cc3c(NCc4cccc(OC)c4F)cc(F)cc3C2=O)CCC(=O)NC1=O.[2H][C@]1(N2Cc3c(NCc4ccc(OC)cc4F)cc(F)cc3C2=O)CCC(=O)NC1=O
InChIInChI=1S/6C21H19F2N3O4/c5*1-30-13-3-2-11(16(23)8-13)9-24-17-7-12(22)6-14-15(17)10-26(21(14)29)18-4-5-19(27)25-20(18)28;1-30-17-4-2-3-11(19(17)23)9-24-15-8-12(22)7-13-14(15)10-26(21(13)29)16-5-6-18(27)25-20(16)28/h5*2-3,6-8,18,24H,4-5,9-10H2,1H3,(H,25,27,28);2-4,7-8,16,24H,5-6,9-10H2,1H3,(H,25,27,28)/t3*18-;;;16-/m100..1/s1/i;18D;;18D;;16D
InChIKeyAETZNDWQSZRDND-RTZPVYQESA-N
XLogP14.08
TPSA526.44 Ų
H-Bond Donors12
H-Bond Acceptors30
Rotatable Bonds30
Heavy Atoms180
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002495.39
LogP ≤ 514.08
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1030

Computed Properties (RDKit)

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

Analyze (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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(1R)-4-(diethylamino)-1-(3,4-dimethoxyphenyl)butyl]-4-(4-ethylpiperazin-1-yl)-3H-isoindol-1-one;2-[(1R)-1-(3,4-dimethoxyphenyl)-4-(ethylamino)butyl]-4-(4-ethylpiperazin-1-yl)-3H-isoindol-1-one;N-[(4R)-4-(3,4-dimethoxyphenyl)-4-[7-(4-ethylpiperazin-1-yl)-3-oxo-1H-isoindol-2-yl]butyl]-2,2,2-trifluoroacetamide
CID 157197526
(4S)-4-[7-[[4-[[4-(2,4-difluorophenyl)piperidin-1-yl]methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[7-[[4-[[4-[(4-fluorophenyl)methyl]piperazin-1-yl]methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;3-[7-[[4-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;4-[3-oxo-7-[[4-[[4-(2,2,2-trifluoroacetyl)piperazin-1-yl]methyl]phenyl]methoxy]-1H-isoindol-2-yl]cyclohexane-1,3-dione;trihydrochloride
CID 157740317
(4S)-4-[7-[[4-[[4-(2,4-difluorophenyl)piperidin-1-yl]methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[7-[[4-[[4-(3,5-difluorophenyl)piperidin-1-yl]methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;3-[7-[[4-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;4-[3-oxo-7-[[4-[[4-(2,2,2-trifluoroacetyl)piperazin-1-yl]methyl]phenyl]methoxy]-1H-isoindol-2-yl]cyclohexane-1,3-dione;tetrahydrochloride
CID 159483033
(4S)-4-[7-[[4-[[4-(2,4-difluorophenyl)piperidin-1-yl]methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[7-[[4-[[4-(3,5-difluorophenyl)piperidin-1-yl]methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;3-[7-[[4-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;4-[3-oxo-7-[[4-[[4-(2,2,2-trifluoroacetyl)piperazin-1-yl]methyl]phenyl]methoxy]-1H-isoindol-2-yl]cyclohexane-1,3-dione;3-[3-oxo-7-[[4-[[(2S)-2-(trifluoromethyl)piperidin-1-yl]methyl]phenyl]methoxy]-1H-isoindol-2-yl]piperidine-2,6-dione;tetrahydrochloride
CID 159812436
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
3-[5-fluoro-7-[4-[(2-methyl-4-phenylmethoxyphenyl)methyl]piperazin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 169309866
2-[7-[[2-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]methylamino]-3-oxo-1H-isoindol-2-yl]-N-formylacetamide;3-[7-[[2-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]methylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 145070027
3,3,4,4,5-Pentadeuterio-5-[1,1-dideuterio-7-[dideuterio-[5-[dideuterio-[3,3,5,5-tetradeuterio-2,2,6-trimethyl-6-(trideuteriomethyl)morpholin-4-yl]methyl]-2-fluorophenyl]methoxy]-3-oxoisoindol-2-yl]piperidine-2,6-dione;3,3,4,4,5-pentadeuterio-5-[1,1-dideuterio-7-[[dideuterio-[5-[dideuterio-[3,3,5,5-tetradeuterio-2,2,6-trimethyl-6-(trideuteriomethyl)morpholin-4-yl]methyl]-2-fluorophenyl]methyl]amino]-3-oxoisoindol-2-yl]piperidine-2,6-dione;3,3,4,4-tetradeuterio-5-[1,1-dideuterio-7-[dideuterio-[5-[dideuterio-[3,3,5,5-tetradeuterio-2,2,6-trimethyl-6-(trideuteriomethyl)morpholin-4-yl]methyl]-2-fluorophenyl]methoxy]-3-oxoisoindol-2-yl]piperidine-2,6-dione;3,3,4,4-tetradeuterio-5-[1,1-dideuterio-7-[[dideuterio-[5-[dideuterio-[3,3,5,5-tetradeuterio-2,2,6-trimethyl-6-(trideuteriomethyl)morpholin-4-yl]methyl]-2-fluorophenyl]methyl]amino]-3-oxoisoindol-2-yl]piperidine-2,6-dione
CID 157054832
3,3,4,4,5-pentadeuterio-5-[7-[[2-fluoro-5-[[3,3,5,5-tetradeuterio-2,2,6-trimethyl-6-(trideuteriomethyl)morpholin-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-[[3,3,5,5-tetradeuterio-2,2,6-trimethyl-6-(trideuteriomethyl)morpholin-4-yl]methyl]phenyl]methylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3,3,4,4-tetradeuterio-5-[1,1-dideuterio-7-[[dideuterio-[5-[dideuterio-[3,3,5,5-tetradeuterio-2,2,6-trimethyl-6-(trideuteriomethyl)morpholin-4-yl]methyl]-2-fluorophenyl]methyl]amino]-3-oxoisoindol-2-yl]piperidine-2,6-dione;3,3,4,4-tetradeuterio-5-[7-[[2-fluoro-5-[[3,3,5,5-tetradeuterio-2,2,6-trimethyl-6-(trideuteriomethyl)morpholin-4-yl]methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 157054837
3-[7-[[5-[dideuterio-(2,2,6,6-tetramethylmorpholin-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-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3,3,4,4,5-pentadeuterio-5-[7-[[dideuterio-[2-fluoro-5-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]phenyl]methyl]amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3,3,4,4-tetradeuterio-5-[7-[dideuterio-[2-fluoro-5-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 157054841
5-[4-[4-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]piperazin-1-yl]butoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;5-[4-[4-[4-[(1S,2R)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]piperazin-1-yl]butoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;5-[6-[4-[4-[(1S,2R)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]piperazin-1-yl]hexyl]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;5-[5-[4-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]piperazin-1-yl]pentylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;5-[5-[4-[4-[(1S,2R)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]piperazin-1-yl]pentyl]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione
CID 157070459

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is COc1ccc(CNc2cc(F)cc3c2CN(C2CCC(=O)NC2=O)C3=O)c(F)c1.COc1ccc(CNc2cc(F)cc3c2CN([C@@H]2CCC(=O)NC2=O)C3=O)c(F)c1.COc1ccc(CNc2cc(F)cc3c2CN([C@H]2CCC(=O)NC2=O)C3=O)c(F)c1.[2H]C1(N2Cc3c(NCc4ccc(OC)cc4F)cc(F)cc3C2=O)CCC(=O)NC1=O.[2H][C@@]1(N2Cc3c(NCc4cccc(OC)c4F)cc(F)cc3C2=O)CCC(=O)NC1=O.[2H][C@]1(N2Cc3c(NCc4ccc(OC)cc4F)cc(F)cc3C2=O)CCC(=O)NC1=O.
What is the InChIKey of (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?
The InChIKey is AETZNDWQSZRDND-RTZPVYQESA-N. The full InChI is InChI=1S/6C21H19F2N3O4/c5*1-30-13-3-2-11(16(23)8-13)9-24-17-7-12(22)6-14-15(17)10-26(21(14)29)18-4-5-19(27)25-20(18)28;1-30-17-4-2-3-11(19(17)23)9-24-15-8-12(22)7-13-14(15)10-26(21(13)29)16-5-6-18(27)25-20(16)28/h5*2-3,6-8,18,24H,4-5,9-10H2,1H3,(H,25,27,28);2-4,7-8,16,24H,5-6,9-10H2,1H3,(H,25,27,28)/t3*18-;;;16-/m100..1/s1/i;18D;;18D;;16D.
What are the key properties of (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?
(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 has a molecular weight of 2495.39 g/mol, XLogP of 14.08, 30 rotatable bonds, 12 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 157092114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).