5-[5-(6-amino-3-pyridinyl)-6-fluoro-1-benzofuran-2-yl]imidazolidine-2,4-dione;6-methoxy-2-methyl-3H-isoindol-1-one

C26H22FN5O5 — CID 143989398

IUPAC5-[5-(6-amino-3-pyridinyl)-6-fluoro-1-benzofuran-2-yl]imidazolidine-2,4-dione;6-methoxy-2-methyl-3H-isoindol-1-one
SMILESCOc1ccc2c(c1)C(=O)N(C)C2.Nc1ccc(-c2cc3cc(C4NC(=O)NC4=O)oc3cc2F)cn1
InChIInChI=1S/C16H11FN4O3.C10H11NO2/c17-10-5-11-8(3-9(10)7-1-2-13(18)19-6-7)4-12(24-11)14-15(22)21-16(23)20-14;1-11-6-7-3-4-8(13-2)5-9(7)10(11)12/h1-6,14H,(H2,18,19)(H2,20,21,22,23);3-5H,6H2,1-2H3
InChIKeyXWXPZVKLJYNCJH-UHFFFAOYSA-N
MW503.49 g/mol
LogP3.38
Rot. Bonds3

About 5-[5-(6-amino-3-pyridinyl)-6-fluoro-1-benzofuran-2-yl]imidazolidine-2,4-dione;6-methoxy-2-methyl-3H-isoindol-1-one

5-[5-(6-amino-3-pyridinyl)-6-fluoro-1-benzofuran-2-yl]imidazolidine-2,4-dione;6-methoxy-2-methyl-3H-isoindol-1-one (PubChem CID 143989398) has the molecular formula C26H22FN5O5 and a molecular weight of 503.49 g/mol. Its IUPAC name is 5-[5-(6-amino-3-pyridinyl)-6-fluoro-1-benzofuran-2-yl]imidazolidine-2,4-dione;6-methoxy-2-methyl-3H-isoindol-1-one.

Molecular Properties

Compound Name5-[5-(6-amino-3-pyridinyl)-6-fluoro-1-benzofuran-2-yl]imidazolidine-2,4-dione;6-methoxy-2-methyl-3H-isoindol-1-one
PubChem CID143989398
Molecular FormulaC26H22FN5O5
Molecular Weight503.49 g/mol
Exact Mass503.16
IUPAC Name5-[5-(6-amino-3-pyridinyl)-6-fluoro-1-benzofuran-2-yl]imidazolidine-2,4-dione;6-methoxy-2-methyl-3H-isoindol-1-one
SMILESCOc1ccc2c(c1)C(=O)N(C)C2.Nc1ccc(-c2cc3cc(C4NC(=O)NC4=O)oc3cc2F)cn1
InChIInChI=1S/C16H11FN4O3.C10H11NO2/c17-10-5-11-8(3-9(10)7-1-2-13(18)19-6-7)4-12(24-11)14-15(22)21-16(23)20-14;1-11-6-7-3-4-8(13-2)5-9(7)10(11)12/h1-6,14H,(H2,18,19)(H2,20,21,22,23);3-5H,6H2,1-2H3
InChIKeyXWXPZVKLJYNCJH-UHFFFAOYSA-N
XLogP3.38
TPSA139.79 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.49
LogP ≤ 53.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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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
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-[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
4-[4-(2,5-dioxoimidazolidin-4-yl)phenyl]-1-methylpyrazole-3-carbonitrile;ethane;6-methoxy-2-methyl-3H-isoindol-1-one
CID 143510190
(Z)-3-[5-(2,5-dioxoimidazolidin-4-yl)furan-2-yl]-N'-[5-(1H-pyrazol-4-yl)-2-pyridinyl]prop-2-enimidamide;7-methoxy-2-methyl-3,4-dihydroisoquinolin-1-one
CID 143990085
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
(5S)-5-[2-[4-(2-hydroxyphenyl)phenyl]ethynyl]imidazolidine-2,4-dione;6-methoxy-2-methyl-3H-isoindol-1-one
CID 143990846
5-[2-[4-(2-hydroxyphenyl)phenyl]ethynyl]imidazolidine-2,4-dione;6-methoxy-2-methyl-3H-isoindol-1-one
CID 143991283
5-[5-(6-amino-3-pyridinyl)-7-methyl-6,7-dihydro-1-benzofuran-2-yl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione
CID 91106863
5-(5-fluorofuro[2,3-c]pyridin-2-yl)imidazolidine-2,4-dione
CID 143990076

Frequently Asked Questions

What is the IUPAC name of 5-[5-(6-amino-3-pyridinyl)-6-fluoro-1-benzofuran-2-yl]imidazolidine-2,4-dione;6-methoxy-2-methyl-3H-isoindol-1-one?
The IUPAC name of 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) is 5-[5-(6-amino-3-pyridinyl)-6-fluoro-1-benzofuran-2-yl]imidazolidine-2,4-dione;6-methoxy-2-methyl-3H-isoindol-1-one.
What is the SMILES notation for 5-[5-(6-amino-3-pyridinyl)-6-fluoro-1-benzofuran-2-yl]imidazolidine-2,4-dione;6-methoxy-2-methyl-3H-isoindol-1-one?
The canonical SMILES for 5-[5-(6-amino-3-pyridinyl)-6-fluoro-1-benzofuran-2-yl]imidazolidine-2,4-dione;6-methoxy-2-methyl-3H-isoindol-1-one is COc1ccc2c(c1)C(=O)N(C)C2.Nc1ccc(-c2cc3cc(C4NC(=O)NC4=O)oc3cc2F)cn1.
What is the InChIKey of 5-[5-(6-amino-3-pyridinyl)-6-fluoro-1-benzofuran-2-yl]imidazolidine-2,4-dione;6-methoxy-2-methyl-3H-isoindol-1-one?
The InChIKey is XWXPZVKLJYNCJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11FN4O3.C10H11NO2/c17-10-5-11-8(3-9(10)7-1-2-13(18)19-6-7)4-12(24-11)14-15(22)21-16(23)20-14;1-11-6-7-3-4-8(13-2)5-9(7)10(11)12/h1-6,14H,(H2,18,19)(H2,20,21,22,23);3-5H,6H2,1-2H3.
What are the key properties of 5-[5-(6-amino-3-pyridinyl)-6-fluoro-1-benzofuran-2-yl]imidazolidine-2,4-dione;6-methoxy-2-methyl-3H-isoindol-1-one?
5-[5-(6-amino-3-pyridinyl)-6-fluoro-1-benzofuran-2-yl]imidazolidine-2,4-dione;6-methoxy-2-methyl-3H-isoindol-1-one has a molecular weight of 503.49 g/mol, XLogP of 3.38, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(6-amino-3-pyridinyl)-6-fluoro-1-benzofuran-2-yl]imidazolidine-2,4-dione;6-methoxy-2-methyl-3H-isoindol-1-one is sourced from PubChem (CID 143989398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).