2-[(4S)-4-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]spiro[7,8-dihydrocyclopenta[e][1]benzofuran-6,5'-imidazolidine]-2',4'-dione

C26H20FN5O7 — CID 45102640

IUPAC2-[(4S)-4-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]spiro[7,8-dihydrocyclopenta[e][1]benzofuran-6,5'-imidazolidine]-2',4'-dione
SMILESCOc1ccc2c(c1F)C(=O)N(C[C@@]1(c3cc4c5c(ccc4o3)C3(CC5)NC(=O)NC3=O)NC(=O)NC1=O)C2
InChIInChI=1S/C26H20FN5O7/c1-38-16-4-2-11-9-32(20(33)18(11)19(16)27)10-26(22(35)29-24(37)31-26)17-8-13-12-6-7-25(21(34)28-23(36)30-25)14(12)3-5-15(13)39-17/h2-5,8H,6-7,9-10H2,1H3,(H2,28,30,34,36)(H2,29,31,35,37)/t25?,26-/m0/s1
InChIKeyJADNAVLPSIXRDM-AMVUTOCUSA-N
MW533.47 g/mol
LogP1.25
Rot. Bonds4

About 2-[(4S)-4-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]spiro[7,8-dihydrocyclopenta[e][1]benzofuran-6,5'-imidazolidine]-2',4'-dione

2-[(4S)-4-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]spiro[7,8-dihydrocyclopenta[e][1]benzofuran-6,5'-imidazolidine]-2',4'-dione (PubChem CID 45102640) has the molecular formula C26H20FN5O7 and a molecular weight of 533.47 g/mol. Its IUPAC name is 2-[(4S)-4-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]spiro[7,8-dihydrocyclopenta[e][1]benzofuran-6,5'-imidazolidine]-2',4'-dione.

Molecular Properties

Compound Name2-[(4S)-4-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]spiro[7,8-dihydrocyclopenta[e][1]benzofuran-6,5'-imidazolidine]-2',4'-dione
PubChem CID45102640
Molecular FormulaC26H20FN5O7
Molecular Weight533.47 g/mol
Exact Mass533.13
IUPAC Name2-[(4S)-4-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]spiro[7,8-dihydrocyclopenta[e][1]benzofuran-6,5'-imidazolidine]-2',4'-dione
SMILESCOc1ccc2c(c1F)C(=O)N(C[C@@]1(c3cc4c5c(ccc4o3)C3(CC5)NC(=O)NC3=O)NC(=O)NC1=O)C2
InChIInChI=1S/C26H20FN5O7/c1-38-16-4-2-11-9-32(20(33)18(11)19(16)27)10-26(22(35)29-24(37)31-26)17-8-13-12-6-7-25(21(34)28-23(36)30-25)14(12)3-5-15(13)39-17/h2-5,8H,6-7,9-10H2,1H3,(H2,28,30,34,36)(H2,29,31,35,37)/t25?,26-/m0/s1
InChIKeyJADNAVLPSIXRDM-AMVUTOCUSA-N
XLogP1.25
TPSA159.08 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500533.47
LogP ≤ 51.25
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 2-[(4S)-4-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]spiro[7,8-dihydrocyclopenta[e][1]benzofuran-6,5'-imidazolidine]-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 2-[(4S)-4-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]spiro[7,8-dihydrocyclopenta[e][1]benzofuran-6,5'-imidazolidine]-2',4'-dione?
The IUPAC name of 2-[(4S)-4-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]spiro[7,8-dihydrocyclopenta[e][1]benzofuran-6,5'-imidazolidine]-2',4'-dione (CID 45102640) is 2-[(4S)-4-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]spiro[7,8-dihydrocyclopenta[e][1]benzofuran-6,5'-imidazolidine]-2',4'-dione.
What is the SMILES notation for 2-[(4S)-4-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]spiro[7,8-dihydrocyclopenta[e][1]benzofuran-6,5'-imidazolidine]-2',4'-dione?
The canonical SMILES for 2-[(4S)-4-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]spiro[7,8-dihydrocyclopenta[e][1]benzofuran-6,5'-imidazolidine]-2',4'-dione is COc1ccc2c(c1F)C(=O)N(C[C@@]1(c3cc4c5c(ccc4o3)C3(CC5)NC(=O)NC3=O)NC(=O)NC1=O)C2.
What is the InChIKey of 2-[(4S)-4-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]spiro[7,8-dihydrocyclopenta[e][1]benzofuran-6,5'-imidazolidine]-2',4'-dione?
The InChIKey is JADNAVLPSIXRDM-AMVUTOCUSA-N. The full InChI is InChI=1S/C26H20FN5O7/c1-38-16-4-2-11-9-32(20(33)18(11)19(16)27)10-26(22(35)29-24(37)31-26)17-8-13-12-6-7-25(21(34)28-23(36)30-25)14(12)3-5-15(13)39-17/h2-5,8H,6-7,9-10H2,1H3,(H2,28,30,34,36)(H2,29,31,35,37)/t25?,26-/m0/s1.
What are the key properties of 2-[(4S)-4-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]spiro[7,8-dihydrocyclopenta[e][1]benzofuran-6,5'-imidazolidine]-2',4'-dione?
2-[(4S)-4-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]spiro[7,8-dihydrocyclopenta[e][1]benzofuran-6,5'-imidazolidine]-2',4'-dione has a molecular weight of 533.47 g/mol, XLogP of 1.25, 4 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4S)-4-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]spiro[7,8-dihydrocyclopenta[e][1]benzofuran-6,5'-imidazolidine]-2',4'-dione is sourced from PubChem (CID 45102640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).