5-[2-(2,5-dioxoimidazolidin-4-yl)furo[2,3-b]pyridin-5-yl]-5-methylimidazolidine-2,4-dione;2-ethyl-7-fluoro-6-methoxy-3H-isoindol-1-one

About 5-[2-(2,5-dioxoimidazolidin-4-yl)furo[2,3-b]pyridin-5-yl]-5-methylimidazolidine-2,4-dione;2-ethyl-7-fluoro-6-methoxy-3H-isoindol-1-one

5-[2-(2,5-dioxoimidazolidin-4-yl)furo[2,3-b]pyridin-5-yl]-5-methylimidazolidine-2,4-dione;2-ethyl-7-fluoro-6-methoxy-3H-isoindol-1-one (PubChem CID 143990246) has the molecular formula C25H23FN6O7 and a molecular weight of 538.49 g/mol. Its IUPAC name is 5-[2-(2,5-dioxoimidazolidin-4-yl)furo[2,3-b]pyridin-5-yl]-5-methylimidazolidine-2,4-dione;2-ethyl-7-fluoro-6-methoxy-3H-isoindol-1-one.

Molecular Properties

Compound Name	5-[2-(2,5-dioxoimidazolidin-4-yl)furo[2,3-b]pyridin-5-yl]-5-methylimidazolidine-2,4-dione;2-ethyl-7-fluoro-6-methoxy-3H-isoindol-1-one
PubChem CID	143990246
Molecular Formula	C25H23FN6O7
Molecular Weight	538.49 g/mol
Exact Mass	538.16
IUPAC Name	5-[2-(2,5-dioxoimidazolidin-4-yl)furo[2,3-b]pyridin-5-yl]-5-methylimidazolidine-2,4-dione;2-ethyl-7-fluoro-6-methoxy-3H-isoindol-1-one
SMILES	CC1(c2cnc3oc(C4NC(=O)NC4=O)cc3c2)NC(=O)NC1=O.CCN1Cc2ccc(OC)c(F)c2C1=O
InChI	InChI=1S/C14H11N5O5.C11H12FNO2/c1-14(11(21)18-13(23)19-14)6-2-5-3-7(24-10(5)15-4-6)8-9(20)17-12(22)16-8;1-3-13-6-7-4-5-8(15-2)10(12)9(7)11(13)14/h2-4,8H,1H3,(H2,16,17,20,22)(H2,18,19,21,23);4-5H,3,6H2,1-2H3
InChIKey	UTPRYIBYNDWVJG-UHFFFAOYSA-N
XLogP	1.57
TPSA	171.97 Å²
H-Bond Donors	4
H-Bond Acceptors	8
Rotatable Bonds	4
Heavy Atoms	39
Complexity	—

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	538.49
LogP ≤ 5	1.57
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 5-[2-(2,5-dioxoimidazolidin-4-yl)furo[2,3-b]pyridin-5-yl]-5-methylimidazolidine-2,4-dione;2-ethyl-7-fluoro-6-methoxy-3H-isoindol-1-one?

The IUPAC name of 5-[2-(2,5-dioxoimidazolidin-4-yl)furo[2,3-b]pyridin-5-yl]-5-methylimidazolidine-2,4-dione;2-ethyl-7-fluoro-6-methoxy-3H-isoindol-1-one (CID 143990246) is 5-[2-(2,5-dioxoimidazolidin-4-yl)furo[2,3-b]pyridin-5-yl]-5-methylimidazolidine-2,4-dione;2-ethyl-7-fluoro-6-methoxy-3H-isoindol-1-one.

What is the SMILES notation for 5-[2-(2,5-dioxoimidazolidin-4-yl)furo[2,3-b]pyridin-5-yl]-5-methylimidazolidine-2,4-dione;2-ethyl-7-fluoro-6-methoxy-3H-isoindol-1-one?

The canonical SMILES for 5-[2-(2,5-dioxoimidazolidin-4-yl)furo[2,3-b]pyridin-5-yl]-5-methylimidazolidine-2,4-dione;2-ethyl-7-fluoro-6-methoxy-3H-isoindol-1-one is CC1(c2cnc3oc(C4NC(=O)NC4=O)cc3c2)NC(=O)NC1=O.CCN1Cc2ccc(OC)c(F)c2C1=O.

What is the InChIKey of 5-[2-(2,5-dioxoimidazolidin-4-yl)furo[2,3-b]pyridin-5-yl]-5-methylimidazolidine-2,4-dione;2-ethyl-7-fluoro-6-methoxy-3H-isoindol-1-one?

The InChIKey is UTPRYIBYNDWVJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N5O5.C11H12FNO2/c1-14(11(21)18-13(23)19-14)6-2-5-3-7(24-10(5)15-4-6)8-9(20)17-12(22)16-8;1-3-13-6-7-4-5-8(15-2)10(12)9(7)11(13)14/h2-4,8H,1H3,(H2,16,17,20,22)(H2,18,19,21,23);4-5H,3,6H2,1-2H3.

What are the key properties of 5-[2-(2,5-dioxoimidazolidin-4-yl)furo[2,3-b]pyridin-5-yl]-5-methylimidazolidine-2,4-dione;2-ethyl-7-fluoro-6-methoxy-3H-isoindol-1-one?

5-[2-(2,5-dioxoimidazolidin-4-yl)furo[2,3-b]pyridin-5-yl]-5-methylimidazolidine-2,4-dione;2-ethyl-7-fluoro-6-methoxy-3H-isoindol-1-one has a molecular weight of 538.49 g/mol, XLogP of 1.57, 4 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-(2,5-dioxoimidazolidin-4-yl)furo[2,3-b]pyridin-5-yl]-5-methylimidazolidine-2,4-dione;2-ethyl-7-fluoro-6-methoxy-3H-isoindol-1-one is sourced from PubChem (CID 143990246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).