ethane;5-[6-(1-methoxyethenyl)furo[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione;6-methoxy-2-methyl-3H-isoindol-1-one

C25H28N4O6 — CID 143990138

IUPACethane;5-[6-(1-methoxyethenyl)furo[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione;6-methoxy-2-methyl-3H-isoindol-1-one
SMILESC=C(OC)c1cnc2cc(C3NC(=O)NC3=O)oc2c1.CC.COc1ccc2c(c1)C(=O)N(C)C2
InChIInChI=1S/C13H11N3O4.C10H11NO2.C2H6/c1-6(19-2)7-3-9-8(14-5-7)4-10(20-9)11-12(17)16-13(18)15-11;1-11-6-7-3-4-8(13-2)5-9(7)10(11)12;1-2/h3-5,11H,1H2,2H3,(H2,15,16,17,18);3-5H,6H2,1-2H3;1-2H3
InChIKeyKRFPPJQWHGKHMY-UHFFFAOYSA-N
MW480.52 g/mol
LogP3.63
Rot. Bonds4

About ethane;5-[6-(1-methoxyethenyl)furo[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione;6-methoxy-2-methyl-3H-isoindol-1-one

ethane;5-[6-(1-methoxyethenyl)furo[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione;6-methoxy-2-methyl-3H-isoindol-1-one (PubChem CID 143990138) has the molecular formula C25H28N4O6 and a molecular weight of 480.52 g/mol. Its IUPAC name is ethane;5-[6-(1-methoxyethenyl)furo[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione;6-methoxy-2-methyl-3H-isoindol-1-one.

Molecular Properties

Compound Nameethane;5-[6-(1-methoxyethenyl)furo[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione;6-methoxy-2-methyl-3H-isoindol-1-one
PubChem CID143990138
Molecular FormulaC25H28N4O6
Molecular Weight480.52 g/mol
Exact Mass480.20
IUPAC Nameethane;5-[6-(1-methoxyethenyl)furo[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione;6-methoxy-2-methyl-3H-isoindol-1-one
SMILESC=C(OC)c1cnc2cc(C3NC(=O)NC3=O)oc2c1.CC.COc1ccc2c(c1)C(=O)N(C)C2
InChIInChI=1S/C13H11N3O4.C10H11NO2.C2H6/c1-6(19-2)7-3-9-8(14-5-7)4-10(20-9)11-12(17)16-13(18)15-11;1-11-6-7-3-4-8(13-2)5-9(7)10(11)12;1-2/h3-5,11H,1H2,2H3,(H2,15,16,17,18);3-5H,6H2,1-2H3;1-2H3
InChIKeyKRFPPJQWHGKHMY-UHFFFAOYSA-N
XLogP3.63
TPSA123.00 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.52
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

1-[2-(2,5-dioxoimidazolidin-4-yl)furo[3,2-b]pyridin-5-yl]-3-ethylurea;6-methoxy-2-methyl-3H-isoindol-1-one
CID 143989988
5-[5-(6-amino-3-pyridinyl)-6-fluoro-1-benzofuran-2-yl]imidazolidine-2,4-dione;6-methoxy-2-methyl-3H-isoindol-1-one
CID 143989398
5-[6-[(4-ethylpiperazin-1-yl)-(hydroxyamino)methyl]furo[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione;7-methoxy-2-methyl-3,4-dihydroisoquinolin-1-one
CID 143989476
5-[5-[2-hydroxyethyl-[(2Z,4Z)-2-(methylideneamino)hexa-2,4-dienyl]amino]furo[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione;6-methoxy-2-methyl-3H-isoindol-1-one
CID 143990114
5-[5-[2-hydroxyethyl(3-pyridin-2-ylpropyl)amino]furo[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione;6-methoxy-2-methyl-3H-isoindol-1-one
CID 143989226
6-methoxy-2-methyl-3H-isoindol-1-one;5-(1H-pyrrolo[3,2-b]pyridin-2-yl)imidazolidine-2,4-dione
CID 143510757
(5S)-5-furo[3,2-b]pyridin-2-ylimidazolidine-2,4-dione;6-methoxy-2,7-dimethyl-3H-isoindol-1-one
CID 143989241
4-[4-(2,5-dioxoimidazolidin-4-yl)phenyl]-1-methylpyrazole-3-carbonitrile;ethane;6-methoxy-2-methyl-3H-isoindol-1-one
CID 143510190
6-methoxy-2-methyl-3H-isoindol-1-one;5-[(E)-2-[3-(methylamino)-2-pyridinyl]ethenyl]imidazolidine-2,4-dione
CID 143510664
(5S)-5-(6-acetylfuro[3,2-b]pyridin-2-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(6-propanoylfuro[3,2-b]pyridin-2-yl)imidazolidine-2,4-dione
CID 158870735
6-methoxy-2-methyl-3H-isoindol-1-one;methyl 2-[4-[2-(2,5-dioxoimidazolidin-4-yl)ethynyl]phenyl]acetate
CID 143991222
(5S)-5-[2-[4-(2-hydroxyphenyl)phenyl]ethynyl]imidazolidine-2,4-dione;6-methoxy-2-methyl-3H-isoindol-1-one
CID 143990846

Frequently Asked Questions

What is the IUPAC name of ethane;5-[6-(1-methoxyethenyl)furo[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione;6-methoxy-2-methyl-3H-isoindol-1-one?
The IUPAC name of ethane;5-[6-(1-methoxyethenyl)furo[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione;6-methoxy-2-methyl-3H-isoindol-1-one (CID 143990138) is ethane;5-[6-(1-methoxyethenyl)furo[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione;6-methoxy-2-methyl-3H-isoindol-1-one.
What is the SMILES notation for ethane;5-[6-(1-methoxyethenyl)furo[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione;6-methoxy-2-methyl-3H-isoindol-1-one?
The canonical SMILES for ethane;5-[6-(1-methoxyethenyl)furo[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione;6-methoxy-2-methyl-3H-isoindol-1-one is C=C(OC)c1cnc2cc(C3NC(=O)NC3=O)oc2c1.CC.COc1ccc2c(c1)C(=O)N(C)C2.
What is the InChIKey of ethane;5-[6-(1-methoxyethenyl)furo[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione;6-methoxy-2-methyl-3H-isoindol-1-one?
The InChIKey is KRFPPJQWHGKHMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O4.C10H11NO2.C2H6/c1-6(19-2)7-3-9-8(14-5-7)4-10(20-9)11-12(17)16-13(18)15-11;1-11-6-7-3-4-8(13-2)5-9(7)10(11)12;1-2/h3-5,11H,1H2,2H3,(H2,15,16,17,18);3-5H,6H2,1-2H3;1-2H3.
What are the key properties of ethane;5-[6-(1-methoxyethenyl)furo[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione;6-methoxy-2-methyl-3H-isoindol-1-one?
ethane;5-[6-(1-methoxyethenyl)furo[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione;6-methoxy-2-methyl-3H-isoindol-1-one has a molecular weight of 480.52 g/mol, XLogP of 3.63, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-[6-(1-methoxyethenyl)furo[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione;6-methoxy-2-methyl-3H-isoindol-1-one is sourced from PubChem (CID 143990138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).