(5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(6-fluoro-5-pyridin-3-ylfuro[3,2-b]pyridin-2-yl)imidazolidine-2,4-dione

C25H17F2N5O5 — CID 58053820

IUPAC(5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(6-fluoro-5-pyridin-3-ylfuro[3,2-b]pyridin-2-yl)imidazolidine-2,4-dione
SMILESCOc1ccc2c(c1F)C(=O)N(C[C@@]1(c3cc4nc(-c5cccnc5)c(F)cc4o3)NC(=O)NC1=O)C2
InChIInChI=1S/C25H17F2N5O5/c1-36-16-5-4-13-10-32(22(33)19(13)20(16)27)11-25(23(34)30-24(35)31-25)18-8-15-17(37-18)7-14(26)21(29-15)12-3-2-6-28-9-12/h2-9H,10-11H2,1H3,(H2,30,31,34,35)/t25-/m0/s1
InChIKeySOTZRFIADZJLTJ-VWLOTQADSA-N
MW505.44 g/mol
LogP2.87
Rot. Bonds5

About (5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(6-fluoro-5-pyridin-3-ylfuro[3,2-b]pyridin-2-yl)imidazolidine-2,4-dione

(5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(6-fluoro-5-pyridin-3-ylfuro[3,2-b]pyridin-2-yl)imidazolidine-2,4-dione (PubChem CID 58053820) has the molecular formula C25H17F2N5O5 and a molecular weight of 505.44 g/mol. Its IUPAC name is (5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(6-fluoro-5-pyridin-3-ylfuro[3,2-b]pyridin-2-yl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(6-fluoro-5-pyridin-3-ylfuro[3,2-b]pyridin-2-yl)imidazolidine-2,4-dione
PubChem CID58053820
Molecular FormulaC25H17F2N5O5
Molecular Weight505.44 g/mol
Exact Mass505.12
IUPAC Name(5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(6-fluoro-5-pyridin-3-ylfuro[3,2-b]pyridin-2-yl)imidazolidine-2,4-dione
SMILESCOc1ccc2c(c1F)C(=O)N(C[C@@]1(c3cc4nc(-c5cccnc5)c(F)cc4o3)NC(=O)NC1=O)C2
InChIInChI=1S/C25H17F2N5O5/c1-36-16-5-4-13-10-32(22(33)19(13)20(16)27)11-25(23(34)30-24(35)31-25)18-8-15-17(37-18)7-14(26)21(29-15)12-3-2-6-28-9-12/h2-9H,10-11H2,1H3,(H2,30,31,34,35)/t25-/m0/s1
InChIKeySOTZRFIADZJLTJ-VWLOTQADSA-N
XLogP2.87
TPSA126.66 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500505.44
LogP ≤ 52.87
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-(6-fluoro-5-pyridin-3-ylfuro[3,2-b]pyridin-2-yl)imidazolidine-2,4-dione?
The IUPAC name of (5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(6-fluoro-5-pyridin-3-ylfuro[3,2-b]pyridin-2-yl)imidazolidine-2,4-dione (CID 58053820) is (5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(6-fluoro-5-pyridin-3-ylfuro[3,2-b]pyridin-2-yl)imidazolidine-2,4-dione.
What is the SMILES notation for (5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(6-fluoro-5-pyridin-3-ylfuro[3,2-b]pyridin-2-yl)imidazolidine-2,4-dione?
The canonical SMILES for (5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(6-fluoro-5-pyridin-3-ylfuro[3,2-b]pyridin-2-yl)imidazolidine-2,4-dione is COc1ccc2c(c1F)C(=O)N(C[C@@]1(c3cc4nc(-c5cccnc5)c(F)cc4o3)NC(=O)NC1=O)C2.
What is the InChIKey of (5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(6-fluoro-5-pyridin-3-ylfuro[3,2-b]pyridin-2-yl)imidazolidine-2,4-dione?
The InChIKey is SOTZRFIADZJLTJ-VWLOTQADSA-N. The full InChI is InChI=1S/C25H17F2N5O5/c1-36-16-5-4-13-10-32(22(33)19(13)20(16)27)11-25(23(34)30-24(35)31-25)18-8-15-17(37-18)7-14(26)21(29-15)12-3-2-6-28-9-12/h2-9H,10-11H2,1H3,(H2,30,31,34,35)/t25-/m0/s1.
What are the key properties of (5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(6-fluoro-5-pyridin-3-ylfuro[3,2-b]pyridin-2-yl)imidazolidine-2,4-dione?
(5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(6-fluoro-5-pyridin-3-ylfuro[3,2-b]pyridin-2-yl)imidazolidine-2,4-dione has a molecular weight of 505.44 g/mol, XLogP of 2.87, 5 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-(6-fluoro-5-pyridin-3-ylfuro[3,2-b]pyridin-2-yl)imidazolidine-2,4-dione is sourced from PubChem (CID 58053820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).