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

C26H29FN4O5 — CID 121314563

IUPAC(3R)-3-[7-[[2-fluoro-5-(2-morpholin-4-ylethoxy)phenyl]methylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
SMILESO=C1CC[C@@H](N2Cc3c(NCc4cc(OCCN5CCOCC5)ccc4F)cccc3C2=O)C(=O)N1
InChIInChI=1S/C26H29FN4O5/c27-21-5-4-18(36-13-10-30-8-11-35-12-9-30)14-17(21)15-28-22-3-1-2-19-20(22)16-31(26(19)34)23-6-7-24(32)29-25(23)33/h1-5,14,23,28H,6-13,15-16H2,(H,29,32,33)/t23-/m1/s1
InChIKeyKBBVVYWABYQBFV-HSZRJFAPSA-N
MW496.54 g/mol
LogP1.91
Rot. Bonds8

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

(3R)-3-[7-[[2-fluoro-5-(2-morpholin-4-ylethoxy)phenyl]methylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (PubChem CID 121314563) has the molecular formula C26H29FN4O5 and a molecular weight of 496.54 g/mol. Its IUPAC name is (3R)-3-[7-[[2-fluoro-5-(2-morpholin-4-ylethoxy)phenyl]methylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name(3R)-3-[7-[[2-fluoro-5-(2-morpholin-4-ylethoxy)phenyl]methylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
PubChem CID121314563
Molecular FormulaC26H29FN4O5
Molecular Weight496.54 g/mol
Exact Mass496.21
IUPAC Name(3R)-3-[7-[[2-fluoro-5-(2-morpholin-4-ylethoxy)phenyl]methylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
SMILESO=C1CC[C@@H](N2Cc3c(NCc4cc(OCCN5CCOCC5)ccc4F)cccc3C2=O)C(=O)N1
InChIInChI=1S/C26H29FN4O5/c27-21-5-4-18(36-13-10-30-8-11-35-12-9-30)14-17(21)15-28-22-3-1-2-19-20(22)16-31(26(19)34)23-6-7-24(32)29-25(23)33/h1-5,14,23,28H,6-13,15-16H2,(H,29,32,33)/t23-/m1/s1
InChIKeyKBBVVYWABYQBFV-HSZRJFAPSA-N
XLogP1.91
TPSA100.21 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.54
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

Mezigdomide
CID 137379043
(2S)-4-cyclohexyl-N-[(2S)-1-(5-fluoro-2,3-dihydro-1H-indol-1-yl)-4-(morpholin-4-yl)butan-2-yl]-2-[(3-methoxyphenyl)formamido]butanamide
CID 11273375
(2S)-N-[(2R,3R)-3-(benzyloxy)-1-(5-fluoro-2,3-dihydro-1H-indol-1-yl)butan-2-yl]-4-cyclohexyl-2-[(3-methoxyphenyl)formamido]butanamide
CID 23648351
2-(3-fluorophenyl)-1,3-dioxo-N-[3-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]propyl]isoindole-5-carboxamide
CID 10506729
6-(4-(4-(8-Fluoronaphthalen-1-yl)piperazin-1-yl)butoxy)isoindolin-1-one
CID 24738459
6-(3-(4-(7-Fluoronaphthalen-1-yl)piperazin-1-yl)propoxy)isoindolin-1-one
CID 25068906
6-(3-(4-(8-Fluoronaphthalen-1-yl)piperazin-1-yl)propoxy)isoindolin-1-one
CID 25068907
6-(3-(4-(Isochroman-8-yl)piperazin-1-yl)propoxy)isoindolin-1-one
CID 25068962
6-(3-(4-(5,6,7,8-Tetrahydronaphthalen-1-yl)piperazin-1-yl)propoxy)isoindolin-1-one
CID 25068963
6-(3-(4-(2,3-dihydro-1H-inden-4-yl)piperazin-1-yl)propoxy)isoindolin-1-one
CID 25068964
6-(3-(4-(6,7-Difluoronaphthalen-1-yl)piperazin-1-yl)propoxy)isoindolin-1-one
CID 25069015
6-(3-(4-(Chroman-8-yl)piperazin-1-yl)propoxy)isoindolin-1-one
CID 25069016

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[7-[[2-fluoro-5-(2-morpholin-4-ylethoxy)phenyl]methylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
The IUPAC name of (3R)-3-[7-[[2-fluoro-5-(2-morpholin-4-ylethoxy)phenyl]methylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (CID 121314563) is (3R)-3-[7-[[2-fluoro-5-(2-morpholin-4-ylethoxy)phenyl]methylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione.
What is the SMILES notation for (3R)-3-[7-[[2-fluoro-5-(2-morpholin-4-ylethoxy)phenyl]methylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
The canonical SMILES for (3R)-3-[7-[[2-fluoro-5-(2-morpholin-4-ylethoxy)phenyl]methylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is O=C1CC[C@@H](N2Cc3c(NCc4cc(OCCN5CCOCC5)ccc4F)cccc3C2=O)C(=O)N1.
What is the InChIKey of (3R)-3-[7-[[2-fluoro-5-(2-morpholin-4-ylethoxy)phenyl]methylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
The InChIKey is KBBVVYWABYQBFV-HSZRJFAPSA-N. The full InChI is InChI=1S/C26H29FN4O5/c27-21-5-4-18(36-13-10-30-8-11-35-12-9-30)14-17(21)15-28-22-3-1-2-19-20(22)16-31(26(19)34)23-6-7-24(32)29-25(23)33/h1-5,14,23,28H,6-13,15-16H2,(H,29,32,33)/t23-/m1/s1.
What are the key properties of (3R)-3-[7-[[2-fluoro-5-(2-morpholin-4-ylethoxy)phenyl]methylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
(3R)-3-[7-[[2-fluoro-5-(2-morpholin-4-ylethoxy)phenyl]methylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione has a molecular weight of 496.54 g/mol, XLogP of 1.91, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[7-[[2-fluoro-5-(2-morpholin-4-ylethoxy)phenyl]methylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is sourced from PubChem (CID 121314563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).