1-[2-(2,5-dioxoimidazolidin-4-yl)furo[3,2-b]pyridin-5-yl]-3-ethylurea;6-methoxy-2-methyl-3H-isoindol-1-one

C23H24N6O6 — CID 143989988

IUPAC1-[2-(2,5-dioxoimidazolidin-4-yl)furo[3,2-b]pyridin-5-yl]-3-ethylurea;6-methoxy-2-methyl-3H-isoindol-1-one
SMILESCCNC(=O)Nc1ccc2oc(C3NC(=O)NC3=O)cc2n1.COc1ccc2c(c1)C(=O)N(C)C2
InChIInChI=1S/C13H13N5O4.C10H11NO2/c1-2-14-12(20)16-9-4-3-7-6(15-9)5-8(22-7)10-11(19)18-13(21)17-10;1-11-6-7-3-4-8(13-2)5-9(7)10(11)12/h3-5,10H,2H2,1H3,(H2,14,15,16,20)(H2,17,18,19,21);3-5H,6H2,1-2H3
InChIKeyJCOYRJYCAYNHCT-UHFFFAOYSA-N
MW480.48 g/mol
LogP2.13
Rot. Bonds4

About 1-[2-(2,5-dioxoimidazolidin-4-yl)furo[3,2-b]pyridin-5-yl]-3-ethylurea;6-methoxy-2-methyl-3H-isoindol-1-one

1-[2-(2,5-dioxoimidazolidin-4-yl)furo[3,2-b]pyridin-5-yl]-3-ethylurea;6-methoxy-2-methyl-3H-isoindol-1-one (PubChem CID 143989988) has the molecular formula C23H24N6O6 and a molecular weight of 480.48 g/mol. Its IUPAC name is 1-[2-(2,5-dioxoimidazolidin-4-yl)furo[3,2-b]pyridin-5-yl]-3-ethylurea;6-methoxy-2-methyl-3H-isoindol-1-one.

Molecular Properties

Compound Name1-[2-(2,5-dioxoimidazolidin-4-yl)furo[3,2-b]pyridin-5-yl]-3-ethylurea;6-methoxy-2-methyl-3H-isoindol-1-one
PubChem CID143989988
Molecular FormulaC23H24N6O6
Molecular Weight480.48 g/mol
Exact Mass480.18
IUPAC Name1-[2-(2,5-dioxoimidazolidin-4-yl)furo[3,2-b]pyridin-5-yl]-3-ethylurea;6-methoxy-2-methyl-3H-isoindol-1-one
SMILESCCNC(=O)Nc1ccc2oc(C3NC(=O)NC3=O)cc2n1.COc1ccc2c(c1)C(=O)N(C)C2
InChIInChI=1S/C13H13N5O4.C10H11NO2/c1-2-14-12(20)16-9-4-3-7-6(15-9)5-8(22-7)10-11(19)18-13(21)17-10;1-11-6-7-3-4-8(13-2)5-9(7)10(11)12/h3-5,10H,2H2,1H3,(H2,14,15,16,20)(H2,17,18,19,21);3-5H,6H2,1-2H3
InChIKeyJCOYRJYCAYNHCT-UHFFFAOYSA-N
XLogP2.13
TPSA154.90 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.48
LogP ≤ 52.13
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 1-[2-(2,5-dioxoimidazolidin-4-yl)furo[3,2-b]pyridin-5-yl]-3-ethylurea;6-methoxy-2-methyl-3H-isoindol-1-one with MolForge

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Related Compounds

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
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
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
methyl 2-(2,5-dioxoimidazolidin-4-yl)furo[3,2-b]pyridine-5-carboxylate
CID 91386323
6-methoxy-2-methyl-3H-isoindol-1-one;5-(1H-pyrrolo[3,2-b]pyridin-2-yl)imidazolidine-2,4-dione
CID 143510757
2-hydroxy-N-[2-[4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]furo[3,2-b]pyridin-5-yl]propanamide
CID 77403705
(5S)-5-furo[3,2-b]pyridin-2-ylimidazolidine-2,4-dione;6-methoxy-2,7-dimethyl-3H-isoindol-1-one
CID 143989241
7-fluoro-6-methoxy-2-methyl-3H-isoindol-1-one;5-[5-(2-oxopyrrolidin-1-yl)furo[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione
CID 143990286
2-(2,5-dioxoimidazolidin-4-yl)-N,N-dimethyl-6,7-dihydro-4H-furo[3,2-c]pyridine-5-carboxamide;2-ethyl-6-methoxy-3H-isoindol-1-one
CID 143990548
6-methoxy-2-methyl-3H-isoindol-1-one;methyl 2-[4-[2-(2,5-dioxoimidazolidin-4-yl)ethynyl]phenyl]acetate
CID 143991222

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,5-dioxoimidazolidin-4-yl)furo[3,2-b]pyridin-5-yl]-3-ethylurea;6-methoxy-2-methyl-3H-isoindol-1-one?
The IUPAC name of 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) is 1-[2-(2,5-dioxoimidazolidin-4-yl)furo[3,2-b]pyridin-5-yl]-3-ethylurea;6-methoxy-2-methyl-3H-isoindol-1-one.
What is the SMILES notation for 1-[2-(2,5-dioxoimidazolidin-4-yl)furo[3,2-b]pyridin-5-yl]-3-ethylurea;6-methoxy-2-methyl-3H-isoindol-1-one?
The canonical SMILES for 1-[2-(2,5-dioxoimidazolidin-4-yl)furo[3,2-b]pyridin-5-yl]-3-ethylurea;6-methoxy-2-methyl-3H-isoindol-1-one is CCNC(=O)Nc1ccc2oc(C3NC(=O)NC3=O)cc2n1.COc1ccc2c(c1)C(=O)N(C)C2.
What is the InChIKey of 1-[2-(2,5-dioxoimidazolidin-4-yl)furo[3,2-b]pyridin-5-yl]-3-ethylurea;6-methoxy-2-methyl-3H-isoindol-1-one?
The InChIKey is JCOYRJYCAYNHCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5O4.C10H11NO2/c1-2-14-12(20)16-9-4-3-7-6(15-9)5-8(22-7)10-11(19)18-13(21)17-10;1-11-6-7-3-4-8(13-2)5-9(7)10(11)12/h3-5,10H,2H2,1H3,(H2,14,15,16,20)(H2,17,18,19,21);3-5H,6H2,1-2H3.
What are the key properties of 1-[2-(2,5-dioxoimidazolidin-4-yl)furo[3,2-b]pyridin-5-yl]-3-ethylurea;6-methoxy-2-methyl-3H-isoindol-1-one?
1-[2-(2,5-dioxoimidazolidin-4-yl)furo[3,2-b]pyridin-5-yl]-3-ethylurea;6-methoxy-2-methyl-3H-isoindol-1-one has a molecular weight of 480.48 g/mol, XLogP of 2.13, 4 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,5-dioxoimidazolidin-4-yl)furo[3,2-b]pyridin-5-yl]-3-ethylurea;6-methoxy-2-methyl-3H-isoindol-1-one is sourced from PubChem (CID 143989988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).