6-[(3R)-3-[(6-ethoxy-3-pyridinyl)oxy]-2-oxopyrrolidin-1-yl]-4-fluoro-2-(2-oxo-2-pyrrolidin-1-ylethyl)-3H-isoindol-1-one

C25H27FN4O5 — CID 118418279

IUPAC6-[(3R)-3-[(6-ethoxy-3-pyridinyl)oxy]-2-oxopyrrolidin-1-yl]-4-fluoro-2-(2-oxo-2-pyrrolidin-1-ylethyl)-3H-isoindol-1-one
SMILESCCOc1ccc(O[C@@H]2CCN(c3cc(F)c4c(c3)C(=O)N(CC(=O)N3CCCC3)C4)C2=O)cn1
InChIInChI=1S/C25H27FN4O5/c1-2-34-22-6-5-17(13-27-22)35-21-7-10-30(25(21)33)16-11-18-19(20(26)12-16)14-29(24(18)32)15-23(31)28-8-3-4-9-28/h5-6,11-13,21H,2-4,7-10,14-15H2,1H3/t21-/m1/s1
InChIKeyVLFLFUGHUKUGRY-OAQYLSRUSA-N
MW482.51 g/mol
LogP2.38
Rot. Bonds7

About 6-[(3R)-3-[(6-ethoxy-3-pyridinyl)oxy]-2-oxopyrrolidin-1-yl]-4-fluoro-2-(2-oxo-2-pyrrolidin-1-ylethyl)-3H-isoindol-1-one

6-[(3R)-3-[(6-ethoxy-3-pyridinyl)oxy]-2-oxopyrrolidin-1-yl]-4-fluoro-2-(2-oxo-2-pyrrolidin-1-ylethyl)-3H-isoindol-1-one (PubChem CID 118418279) has the molecular formula C25H27FN4O5 and a molecular weight of 482.51 g/mol. Its IUPAC name is 6-[(3R)-3-[(6-ethoxy-3-pyridinyl)oxy]-2-oxopyrrolidin-1-yl]-4-fluoro-2-(2-oxo-2-pyrrolidin-1-ylethyl)-3H-isoindol-1-one.

Molecular Properties

Compound Name6-[(3R)-3-[(6-ethoxy-3-pyridinyl)oxy]-2-oxopyrrolidin-1-yl]-4-fluoro-2-(2-oxo-2-pyrrolidin-1-ylethyl)-3H-isoindol-1-one
PubChem CID118418279
Molecular FormulaC25H27FN4O5
Molecular Weight482.51 g/mol
Exact Mass482.20
IUPAC Name6-[(3R)-3-[(6-ethoxy-3-pyridinyl)oxy]-2-oxopyrrolidin-1-yl]-4-fluoro-2-(2-oxo-2-pyrrolidin-1-ylethyl)-3H-isoindol-1-one
SMILESCCOc1ccc(O[C@@H]2CCN(c3cc(F)c4c(c3)C(=O)N(CC(=O)N3CCCC3)C4)C2=O)cn1
InChIInChI=1S/C25H27FN4O5/c1-2-34-22-6-5-17(13-27-22)35-21-7-10-30(25(21)33)16-11-18-19(20(26)12-16)14-29(24(18)32)15-23(31)28-8-3-4-9-28/h5-6,11-13,21H,2-4,7-10,14-15H2,1H3/t21-/m1/s1
InChIKeyVLFLFUGHUKUGRY-OAQYLSRUSA-N
XLogP2.38
TPSA92.28 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.51
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6-[(3R)-3-[(6-ethoxy-3-pyridinyl)oxy]-2-oxopyrrolidin-1-yl]-4-fluoro-2-(2-oxo-2-pyrrolidin-1-ylethyl)-3H-isoindol-1-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[(3R)-3-[(6-ethoxy-3-pyridinyl)oxy]-2-oxopyrrolidin-1-yl]-4-fluoro-2-(2-oxo-2-pyrrolidin-1-ylethyl)-3H-isoindol-1-one?
The IUPAC name of 6-[(3R)-3-[(6-ethoxy-3-pyridinyl)oxy]-2-oxopyrrolidin-1-yl]-4-fluoro-2-(2-oxo-2-pyrrolidin-1-ylethyl)-3H-isoindol-1-one (CID 118418279) is 6-[(3R)-3-[(6-ethoxy-3-pyridinyl)oxy]-2-oxopyrrolidin-1-yl]-4-fluoro-2-(2-oxo-2-pyrrolidin-1-ylethyl)-3H-isoindol-1-one.
What is the SMILES notation for 6-[(3R)-3-[(6-ethoxy-3-pyridinyl)oxy]-2-oxopyrrolidin-1-yl]-4-fluoro-2-(2-oxo-2-pyrrolidin-1-ylethyl)-3H-isoindol-1-one?
The canonical SMILES for 6-[(3R)-3-[(6-ethoxy-3-pyridinyl)oxy]-2-oxopyrrolidin-1-yl]-4-fluoro-2-(2-oxo-2-pyrrolidin-1-ylethyl)-3H-isoindol-1-one is CCOc1ccc(O[C@@H]2CCN(c3cc(F)c4c(c3)C(=O)N(CC(=O)N3CCCC3)C4)C2=O)cn1.
What is the InChIKey of 6-[(3R)-3-[(6-ethoxy-3-pyridinyl)oxy]-2-oxopyrrolidin-1-yl]-4-fluoro-2-(2-oxo-2-pyrrolidin-1-ylethyl)-3H-isoindol-1-one?
The InChIKey is VLFLFUGHUKUGRY-OAQYLSRUSA-N. The full InChI is InChI=1S/C25H27FN4O5/c1-2-34-22-6-5-17(13-27-22)35-21-7-10-30(25(21)33)16-11-18-19(20(26)12-16)14-29(24(18)32)15-23(31)28-8-3-4-9-28/h5-6,11-13,21H,2-4,7-10,14-15H2,1H3/t21-/m1/s1.
What are the key properties of 6-[(3R)-3-[(6-ethoxy-3-pyridinyl)oxy]-2-oxopyrrolidin-1-yl]-4-fluoro-2-(2-oxo-2-pyrrolidin-1-ylethyl)-3H-isoindol-1-one?
6-[(3R)-3-[(6-ethoxy-3-pyridinyl)oxy]-2-oxopyrrolidin-1-yl]-4-fluoro-2-(2-oxo-2-pyrrolidin-1-ylethyl)-3H-isoindol-1-one has a molecular weight of 482.51 g/mol, XLogP of 2.38, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3R)-3-[(6-ethoxy-3-pyridinyl)oxy]-2-oxopyrrolidin-1-yl]-4-fluoro-2-(2-oxo-2-pyrrolidin-1-ylethyl)-3H-isoindol-1-one is sourced from PubChem (CID 118418279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).