(5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(8-fluoro-7-oxo-5,6-dihydrofuro[2,3-f]isoindol-2-yl)-3-(methoxymethyl)imidazolidine-2,4-dione

C25H20F2N4O7 — CID 46190146

IUPAC(5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(8-fluoro-7-oxo-5,6-dihydrofuro[2,3-f]isoindol-2-yl)-3-(methoxymethyl)imidazolidine-2,4-dione
SMILESCOCN1C(=O)N[C@@](CN2Cc3ccc(OC)c(F)c3C2=O)(c2cc3cc4c(c(F)c3o2)C(=O)NC4)C1=O
InChIInChI=1S/C25H20F2N4O7/c1-36-10-31-23(34)25(29-24(31)35,9-30-8-11-3-4-14(37-2)18(26)17(11)22(30)33)15-6-12-5-13-7-28-21(32)16(13)19(27)20(12)38-15/h3-6H,7-10H2,1-2H3,(H,28,32)(H,29,35)/t25-/m0/s1
InChIKeyZTCRVVPBZLESJM-VWLOTQADSA-N
MW526.45 g/mol
LogP1.97
Rot. Bonds6

About (5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(8-fluoro-7-oxo-5,6-dihydrofuro[2,3-f]isoindol-2-yl)-3-(methoxymethyl)imidazolidine-2,4-dione

(5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(8-fluoro-7-oxo-5,6-dihydrofuro[2,3-f]isoindol-2-yl)-3-(methoxymethyl)imidazolidine-2,4-dione (PubChem CID 46190146) has the molecular formula C25H20F2N4O7 and a molecular weight of 526.45 g/mol. Its IUPAC name is (5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(8-fluoro-7-oxo-5,6-dihydrofuro[2,3-f]isoindol-2-yl)-3-(methoxymethyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(8-fluoro-7-oxo-5,6-dihydrofuro[2,3-f]isoindol-2-yl)-3-(methoxymethyl)imidazolidine-2,4-dione
PubChem CID46190146
Molecular FormulaC25H20F2N4O7
Molecular Weight526.45 g/mol
Exact Mass526.13
IUPAC Name(5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(8-fluoro-7-oxo-5,6-dihydrofuro[2,3-f]isoindol-2-yl)-3-(methoxymethyl)imidazolidine-2,4-dione
SMILESCOCN1C(=O)N[C@@](CN2Cc3ccc(OC)c(F)c3C2=O)(c2cc3cc4c(c(F)c3o2)C(=O)NC4)C1=O
InChIInChI=1S/C25H20F2N4O7/c1-36-10-31-23(34)25(29-24(31)35,9-30-8-11-3-4-14(37-2)18(26)17(11)22(30)33)15-6-12-5-13-7-28-21(32)16(13)19(27)20(12)38-15/h3-6H,7-10H2,1-2H3,(H,28,32)(H,29,35)/t25-/m0/s1
InChIKeyZTCRVVPBZLESJM-VWLOTQADSA-N
XLogP1.97
TPSA130.42 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500526.45
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(8-fluoro-7-oxo-5,6-dihydrofuro[2,3-f]isoindol-2-yl)-3-(methoxymethyl)imidazolidine-2,4-dione?
The IUPAC name of (5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(8-fluoro-7-oxo-5,6-dihydrofuro[2,3-f]isoindol-2-yl)-3-(methoxymethyl)imidazolidine-2,4-dione (CID 46190146) is (5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(8-fluoro-7-oxo-5,6-dihydrofuro[2,3-f]isoindol-2-yl)-3-(methoxymethyl)imidazolidine-2,4-dione.
What is the SMILES notation for (5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(8-fluoro-7-oxo-5,6-dihydrofuro[2,3-f]isoindol-2-yl)-3-(methoxymethyl)imidazolidine-2,4-dione?
The canonical SMILES for (5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(8-fluoro-7-oxo-5,6-dihydrofuro[2,3-f]isoindol-2-yl)-3-(methoxymethyl)imidazolidine-2,4-dione is COCN1C(=O)N[C@@](CN2Cc3ccc(OC)c(F)c3C2=O)(c2cc3cc4c(c(F)c3o2)C(=O)NC4)C1=O.
What is the InChIKey of (5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(8-fluoro-7-oxo-5,6-dihydrofuro[2,3-f]isoindol-2-yl)-3-(methoxymethyl)imidazolidine-2,4-dione?
The InChIKey is ZTCRVVPBZLESJM-VWLOTQADSA-N. The full InChI is InChI=1S/C25H20F2N4O7/c1-36-10-31-23(34)25(29-24(31)35,9-30-8-11-3-4-14(37-2)18(26)17(11)22(30)33)15-6-12-5-13-7-28-21(32)16(13)19(27)20(12)38-15/h3-6H,7-10H2,1-2H3,(H,28,32)(H,29,35)/t25-/m0/s1.
What are the key properties of (5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(8-fluoro-7-oxo-5,6-dihydrofuro[2,3-f]isoindol-2-yl)-3-(methoxymethyl)imidazolidine-2,4-dione?
(5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(8-fluoro-7-oxo-5,6-dihydrofuro[2,3-f]isoindol-2-yl)-3-(methoxymethyl)imidazolidine-2,4-dione has a molecular weight of 526.45 g/mol, XLogP of 1.97, 6 rotatable bonds, 2 hydrogen bond donors, and 7 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-(8-fluoro-7-oxo-5,6-dihydrofuro[2,3-f]isoindol-2-yl)-3-(methoxymethyl)imidazolidine-2,4-dione is sourced from PubChem (CID 46190146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).