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

C25H21F2N5O5 — CID 46200283

IUPAC(5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[6-fluoro-5-(1,2,3,6-tetrahydropyridin-4-yl)furo[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione
SMILESCOc1ccc2c(c1F)C(=O)N(C[C@@]1(c3cc4nc(C5=CCNCC5)c(F)cc4o3)NC(=O)NC1=O)C2
InChIInChI=1S/C25H21F2N5O5/c1-36-16-3-2-13-10-32(22(33)19(13)20(16)27)11-25(23(34)30-24(35)31-25)18-9-15-17(37-18)8-14(26)21(29-15)12-4-6-28-7-5-12/h2-4,8-9,28H,5-7,10-11H2,1H3,(H2,30,31,34,35)/t25-/m0/s1
InChIKeyXANSDONOYACNNX-VWLOTQADSA-N
MW509.47 g/mol
LogP2.18
Rot. Bonds5

About (5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[6-fluoro-5-(1,2,3,6-tetrahydropyridin-4-yl)furo[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-(1,2,3,6-tetrahydropyridin-4-yl)furo[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione (PubChem CID 46200283) has the molecular formula C25H21F2N5O5 and a molecular weight of 509.47 g/mol. Its IUPAC name is (5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[6-fluoro-5-(1,2,3,6-tetrahydropyridin-4-yl)furo[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-(1,2,3,6-tetrahydropyridin-4-yl)furo[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione
PubChem CID46200283
Molecular FormulaC25H21F2N5O5
Molecular Weight509.47 g/mol
Exact Mass509.15
IUPAC Name(5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[6-fluoro-5-(1,2,3,6-tetrahydropyridin-4-yl)furo[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione
SMILESCOc1ccc2c(c1F)C(=O)N(C[C@@]1(c3cc4nc(C5=CCNCC5)c(F)cc4o3)NC(=O)NC1=O)C2
InChIInChI=1S/C25H21F2N5O5/c1-36-16-3-2-13-10-32(22(33)19(13)20(16)27)11-25(23(34)30-24(35)31-25)18-9-15-17(37-18)8-14(26)21(29-15)12-4-6-28-7-5-12/h2-4,8-9,28H,5-7,10-11H2,1H3,(H2,30,31,34,35)/t25-/m0/s1
InChIKeyXANSDONOYACNNX-VWLOTQADSA-N
XLogP2.18
TPSA125.80 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500509.47
LogP ≤ 52.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

(5S)-5-(5-chloro-6-fluorofuro[3,2-b]pyridin-2-yl)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione
CID 46200284
(5S)-5-[(8-fluoro-7-methoxy-1-oxo-3,4-dihydroisoquinolin-2-yl)methyl]-5-(5-methylfuro[3,2-b]pyridin-2-yl)imidazolidine-2,4-dione
CID 143989773
(5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[5-(2-methyl-3,5-dioxopyrrolidin-2-yl)furo[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione
CID 58054057
5-ethyl-5-[2-[(4S)-4-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]-1-benzofuran-5-yl]imidazolidine-2,4-dione
CID 58053832
(5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[5-(4-propan-2-ylpiperazin-1-yl)furo[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione
CID 46199504
5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[5-(1,3,5-trimethylpyrazol-4-yl)furo[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione
CID 77403770
3-[2-[(4S)-4-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]furo[3,2-b]pyridin-5-yl]benzonitrile
CID 70233985
(5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-fluoro-3-oxo-1,2-dihydrofuro[3,2-e]isoindol-7-yl)imidazolidine-2,4-dione
CID 58054028
5-(6-bromo-5-methylfuro[3,2-b]pyridin-2-yl)-5-[(4,5-dimethoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione
CID 75171834
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
(5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[7-methyl-5-[(1,3,5-trimethylpyrazol-4-yl)methyl]furo[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione
CID 143989395
(5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(8-fluoro-5-oxo-6,7-dihydrocyclopenta[f][1]benzofuran-2-yl)imidazolidine-2,4-dione
CID 58053369

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-(1,2,3,6-tetrahydropyridin-4-yl)furo[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-(1,2,3,6-tetrahydropyridin-4-yl)furo[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione (CID 46200283) is (5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[6-fluoro-5-(1,2,3,6-tetrahydropyridin-4-yl)furo[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-(1,2,3,6-tetrahydropyridin-4-yl)furo[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-(1,2,3,6-tetrahydropyridin-4-yl)furo[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione is COc1ccc2c(c1F)C(=O)N(C[C@@]1(c3cc4nc(C5=CCNCC5)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-(1,2,3,6-tetrahydropyridin-4-yl)furo[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione?
The InChIKey is XANSDONOYACNNX-VWLOTQADSA-N. The full InChI is InChI=1S/C25H21F2N5O5/c1-36-16-3-2-13-10-32(22(33)19(13)20(16)27)11-25(23(34)30-24(35)31-25)18-9-15-17(37-18)8-14(26)21(29-15)12-4-6-28-7-5-12/h2-4,8-9,28H,5-7,10-11H2,1H3,(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-(1,2,3,6-tetrahydropyridin-4-yl)furo[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-(1,2,3,6-tetrahydropyridin-4-yl)furo[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione has a molecular weight of 509.47 g/mol, XLogP of 2.18, 5 rotatable bonds, 3 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-(1,2,3,6-tetrahydropyridin-4-yl)furo[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione is sourced from PubChem (CID 46200283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).