5-[2-[4-[(4-fluoro-5-methoxy-3-methylidene-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]furo[2,3-b]pyridin-5-yl]-5-methylimidazolidine-2,4-dione

About 5-[2-[4-[(4-fluoro-5-methoxy-3-methylidene-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]furo[2,3-b]pyridin-5-yl]-5-methylimidazolidine-2,4-dione

5-[2-[4-[(4-fluoro-5-methoxy-3-methylidene-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]furo[2,3-b]pyridin-5-yl]-5-methylimidazolidine-2,4-dione (PubChem CID 91223250) has the molecular formula C25H21FN6O6 and a molecular weight of 520.48 g/mol. Its IUPAC name is 5-[2-[4-[(4-fluoro-5-methoxy-3-methylidene-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]furo[2,3-b]pyridin-5-yl]-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name	5-[2-[4-[(4-fluoro-5-methoxy-3-methylidene-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]furo[2,3-b]pyridin-5-yl]-5-methylimidazolidine-2,4-dione
PubChem CID	91223250
Molecular Formula	C25H21FN6O6
Molecular Weight	520.48 g/mol
Exact Mass	520.15
IUPAC Name	5-[2-[4-[(4-fluoro-5-methoxy-3-methylidene-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]furo[2,3-b]pyridin-5-yl]-5-methylimidazolidine-2,4-dione
SMILES	C=C1c2c(ccc(OC)c2F)CN1CC1(c2cc3cc(C4(C)NC(=O)NC4=O)cnc3o2)NC(=O)NC1=O
InChI	InChI=1S/C25H21FN6O6/c1-11-17-12(4-5-15(37-3)18(17)26)9-32(11)10-25(21(34)29-23(36)31-25)16-7-13-6-14(8-27-19(13)38-16)24(2)20(33)28-22(35)30-24/h4-8H,1,9-10H2,2-3H3,(H2,28,30,33,35)(H2,29,31,34,36)
InChIKey	WEJAHEOIPWVYQY-UHFFFAOYSA-N
XLogP	1.55
TPSA	154.90 Å²
H-Bond Donors	4
H-Bond Acceptors	8
Rotatable Bonds	5
Heavy Atoms	38
Complexity	—

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	520.48
LogP ≤ 5	1.55
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-[4-[(4-fluoro-5-methoxy-3-methylidene-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]furo[2,3-b]pyridin-5-yl]-5-methylimidazolidine-2,4-dione?

The IUPAC name of 5-[2-[4-[(4-fluoro-5-methoxy-3-methylidene-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]furo[2,3-b]pyridin-5-yl]-5-methylimidazolidine-2,4-dione (CID 91223250) is 5-[2-[4-[(4-fluoro-5-methoxy-3-methylidene-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]furo[2,3-b]pyridin-5-yl]-5-methylimidazolidine-2,4-dione.

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

The canonical SMILES for 5-[2-[4-[(4-fluoro-5-methoxy-3-methylidene-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]furo[2,3-b]pyridin-5-yl]-5-methylimidazolidine-2,4-dione is C=C1c2c(ccc(OC)c2F)CN1CC1(c2cc3cc(C4(C)NC(=O)NC4=O)cnc3o2)NC(=O)NC1=O.

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

The InChIKey is WEJAHEOIPWVYQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21FN6O6/c1-11-17-12(4-5-15(37-3)18(17)26)9-32(11)10-25(21(34)29-23(36)31-25)16-7-13-6-14(8-27-19(13)38-16)24(2)20(33)28-22(35)30-24/h4-8H,1,9-10H2,2-3H3,(H2,28,30,33,35)(H2,29,31,34,36).

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

5-[2-[4-[(4-fluoro-5-methoxy-3-methylidene-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]furo[2,3-b]pyridin-5-yl]-5-methylimidazolidine-2,4-dione has a molecular weight of 520.48 g/mol, XLogP of 1.55, 5 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-[4-[(4-fluoro-5-methoxy-3-methylidene-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]furo[2,3-b]pyridin-5-yl]-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 91223250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).