(5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-furo[3,2-c]pyridin-2-ylimidazolidine-2,4-dione;(5S)-5-[(6-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-furo[3,2-c]pyridin-2-ylimidazolidine-2,4-dione

C40H30F2N8O10 — CID 157235182

IUPAC(5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-furo[3,2-c]pyridin-2-ylimidazolidine-2,4-dione;(5S)-5-[(6-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-furo[3,2-c]pyridin-2-ylimidazolidine-2,4-dione
SMILESCOc1cc2c(cc1F)CN(C[C@@]1(c3cc4cnccc4o3)NC(=O)NC1=O)C2=O.COc1ccc2c(c1F)C(=O)N(C[C@@]1(c3cc4cnccc4o3)NC(=O)NC1=O)C2
InChIInChI=1S/2C20H15FN4O5/c1-29-15-6-12-11(4-13(15)21)8-25(17(12)26)9-20(18(27)23-19(28)24-20)16-5-10-7-22-3-2-14(10)30-16;1-29-13-3-2-10-8-25(17(26)15(10)16(13)21)9-20(18(27)23-19(28)24-20)14-6-11-7-22-5-4-12(11)30-14/h2*2-7H,8-9H2,1H3,(H2,23,24,27,28)/t2*20-/m00/s1
InChIKeyAUNZZILZBAEVEV-UHUPAWRPSA-N
MW820.72 g/mol
LogP3.33
Rot. Bonds8

About (5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-furo[3,2-c]pyridin-2-ylimidazolidine-2,4-dione;(5S)-5-[(6-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-furo[3,2-c]pyridin-2-ylimidazolidine-2,4-dione

(5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-furo[3,2-c]pyridin-2-ylimidazolidine-2,4-dione;(5S)-5-[(6-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-furo[3,2-c]pyridin-2-ylimidazolidine-2,4-dione (PubChem CID 157235182) has the molecular formula C40H30F2N8O10 and a molecular weight of 820.72 g/mol. Its IUPAC name is (5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-furo[3,2-c]pyridin-2-ylimidazolidine-2,4-dione;(5S)-5-[(6-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-furo[3,2-c]pyridin-2-ylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-furo[3,2-c]pyridin-2-ylimidazolidine-2,4-dione;(5S)-5-[(6-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-furo[3,2-c]pyridin-2-ylimidazolidine-2,4-dione
PubChem CID157235182
Molecular FormulaC40H30F2N8O10
Molecular Weight820.72 g/mol
Exact Mass820.21
IUPAC Name(5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-furo[3,2-c]pyridin-2-ylimidazolidine-2,4-dione;(5S)-5-[(6-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-furo[3,2-c]pyridin-2-ylimidazolidine-2,4-dione
SMILESCOc1cc2c(cc1F)CN(C[C@@]1(c3cc4cnccc4o3)NC(=O)NC1=O)C2=O.COc1ccc2c(c1F)C(=O)N(C[C@@]1(c3cc4cnccc4o3)NC(=O)NC1=O)C2
InChIInChI=1S/2C20H15FN4O5/c1-29-15-6-12-11(4-13(15)21)8-25(17(12)26)9-20(18(27)23-19(28)24-20)16-5-10-7-22-3-2-14(10)30-16;1-29-13-3-2-10-8-25(17(26)15(10)16(13)21)9-20(18(27)23-19(28)24-20)14-6-11-7-22-5-4-12(11)30-14/h2*2-7H,8-9H2,1H3,(H2,23,24,27,28)/t2*20-/m00/s1
InChIKeyAUNZZILZBAEVEV-UHUPAWRPSA-N
XLogP3.33
TPSA227.54 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds8
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500820.72
LogP ≤ 53.33
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze (5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-furo[3,2-c]pyridin-2-ylimidazolidine-2,4-dione;(5S)-5-[(6-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-furo[3,2-c]pyridin-2-ylimidazolidine-2,4-dione 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 (5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-furo[3,2-c]pyridin-2-ylimidazolidine-2,4-dione;(5S)-5-[(6-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-furo[3,2-c]pyridin-2-ylimidazolidine-2,4-dione?
The IUPAC name of (5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-furo[3,2-c]pyridin-2-ylimidazolidine-2,4-dione;(5S)-5-[(6-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-furo[3,2-c]pyridin-2-ylimidazolidine-2,4-dione (CID 157235182) is (5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-furo[3,2-c]pyridin-2-ylimidazolidine-2,4-dione;(5S)-5-[(6-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-furo[3,2-c]pyridin-2-ylimidazolidine-2,4-dione.
What is the SMILES notation for (5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-furo[3,2-c]pyridin-2-ylimidazolidine-2,4-dione;(5S)-5-[(6-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-furo[3,2-c]pyridin-2-ylimidazolidine-2,4-dione?
The canonical SMILES for (5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-furo[3,2-c]pyridin-2-ylimidazolidine-2,4-dione;(5S)-5-[(6-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-furo[3,2-c]pyridin-2-ylimidazolidine-2,4-dione is COc1cc2c(cc1F)CN(C[C@@]1(c3cc4cnccc4o3)NC(=O)NC1=O)C2=O.COc1ccc2c(c1F)C(=O)N(C[C@@]1(c3cc4cnccc4o3)NC(=O)NC1=O)C2.
What is the InChIKey of (5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-furo[3,2-c]pyridin-2-ylimidazolidine-2,4-dione;(5S)-5-[(6-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-furo[3,2-c]pyridin-2-ylimidazolidine-2,4-dione?
The InChIKey is AUNZZILZBAEVEV-UHUPAWRPSA-N. The full InChI is InChI=1S/2C20H15FN4O5/c1-29-15-6-12-11(4-13(15)21)8-25(17(12)26)9-20(18(27)23-19(28)24-20)16-5-10-7-22-3-2-14(10)30-16;1-29-13-3-2-10-8-25(17(26)15(10)16(13)21)9-20(18(27)23-19(28)24-20)14-6-11-7-22-5-4-12(11)30-14/h2*2-7H,8-9H2,1H3,(H2,23,24,27,28)/t2*20-/m00/s1.
What are the key properties of (5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-furo[3,2-c]pyridin-2-ylimidazolidine-2,4-dione;(5S)-5-[(6-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-furo[3,2-c]pyridin-2-ylimidazolidine-2,4-dione?
(5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-furo[3,2-c]pyridin-2-ylimidazolidine-2,4-dione;(5S)-5-[(6-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-furo[3,2-c]pyridin-2-ylimidazolidine-2,4-dione has a molecular weight of 820.72 g/mol, XLogP of 3.33, 8 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-furo[3,2-c]pyridin-2-ylimidazolidine-2,4-dione;(5S)-5-[(6-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-furo[3,2-c]pyridin-2-ylimidazolidine-2,4-dione is sourced from PubChem (CID 157235182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).