5-(3a,7a-dihydrofuro[3,2-b]pyridin-2-yl)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione

About 5-(3a,7a-dihydrofuro[3,2-b]pyridin-2-yl)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione

5-(3a,7a-dihydrofuro[3,2-b]pyridin-2-yl)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione (PubChem CID 91049779) has the molecular formula C20H17FN4O5 and a molecular weight of 412.38 g/mol. Its IUPAC name is 5-(3a,7a-dihydrofuro[3,2-b]pyridin-2-yl)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name	5-(3a,7a-dihydrofuro[3,2-b]pyridin-2-yl)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione
PubChem CID	91049779
Molecular Formula	C20H17FN4O5
Molecular Weight	412.38 g/mol
Exact Mass	412.12
IUPAC Name	5-(3a,7a-dihydrofuro[3,2-b]pyridin-2-yl)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione
SMILES	COc1ccc2c(c1F)C(=O)N(CC1(C3=CC4N=CC=CC4O3)NC(=O)NC1=O)C2
InChI	InChI=1S/C20H17FN4O5/c1-29-13-5-4-10-8-25(17(26)15(10)16(13)21)9-20(18(27)23-19(28)24-20)14-7-11-12(30-14)3-2-6-22-11/h2-7,11-12H,8-9H2,1H3,(H2,23,24,27,28)
InChIKey	WBAWGOJRLFJKGX-UHFFFAOYSA-N
XLogP	0.66
TPSA	109.33 Å²
H-Bond Donors	2
H-Bond Acceptors	6
Rotatable Bonds	4
Heavy Atoms	30
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	412.38
LogP ≤ 5	0.66
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 5-(3a,7a-dihydrofuro[3,2-b]pyridin-2-yl)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione?

The IUPAC name of 5-(3a,7a-dihydrofuro[3,2-b]pyridin-2-yl)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione (CID 91049779) is 5-(3a,7a-dihydrofuro[3,2-b]pyridin-2-yl)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione.

What is the SMILES notation for 5-(3a,7a-dihydrofuro[3,2-b]pyridin-2-yl)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione?

The canonical SMILES for 5-(3a,7a-dihydrofuro[3,2-b]pyridin-2-yl)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione is COc1ccc2c(c1F)C(=O)N(CC1(C3=CC4N=CC=CC4O3)NC(=O)NC1=O)C2.

What is the InChIKey of 5-(3a,7a-dihydrofuro[3,2-b]pyridin-2-yl)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione?

The InChIKey is WBAWGOJRLFJKGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN4O5/c1-29-13-5-4-10-8-25(17(26)15(10)16(13)21)9-20(18(27)23-19(28)24-20)14-7-11-12(30-14)3-2-6-22-11/h2-7,11-12H,8-9H2,1H3,(H2,23,24,27,28).

What are the key properties of 5-(3a,7a-dihydrofuro[3,2-b]pyridin-2-yl)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione?

5-(3a,7a-dihydrofuro[3,2-b]pyridin-2-yl)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione has a molecular weight of 412.38 g/mol, XLogP of 0.66, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(3a,7a-dihydrofuro[3,2-b]pyridin-2-yl)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 91049779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).