(5S)-5-furo[3,2-b]pyridin-2-ylimidazolidine-2,4-dione;6-methoxy-2,7-dimethyl-3H-isoindol-1-one

C21H20N4O5 — CID 143989241

IUPAC(5S)-5-furo[3,2-b]pyridin-2-ylimidazolidine-2,4-dione;6-methoxy-2,7-dimethyl-3H-isoindol-1-one
SMILESCOc1ccc2c(c1C)C(=O)N(C)C2.O=C1NC(=O)[C@H](c2cc3ncccc3o2)N1
InChIInChI=1S/C11H13NO2.C10H7N3O3/c1-7-9(14-3)5-4-8-6-12(2)11(13)10(7)8;14-9-8(12-10(15)13-9)7-4-5-6(16-7)2-1-3-11-5/h4-5H,6H2,1-3H3;1-4,8H,(H2,12,13,14,15)/t;8-/m.0/s1
InChIKeyHSEWOMAWCFZLQH-WDBKTSHHSA-N
MW408.41 g/mol
LogP2.30
Rot. Bonds2

About (5S)-5-furo[3,2-b]pyridin-2-ylimidazolidine-2,4-dione;6-methoxy-2,7-dimethyl-3H-isoindol-1-one

(5S)-5-furo[3,2-b]pyridin-2-ylimidazolidine-2,4-dione;6-methoxy-2,7-dimethyl-3H-isoindol-1-one (PubChem CID 143989241) has the molecular formula C21H20N4O5 and a molecular weight of 408.41 g/mol. Its IUPAC name is (5S)-5-furo[3,2-b]pyridin-2-ylimidazolidine-2,4-dione;6-methoxy-2,7-dimethyl-3H-isoindol-1-one.

Molecular Properties

Compound Name(5S)-5-furo[3,2-b]pyridin-2-ylimidazolidine-2,4-dione;6-methoxy-2,7-dimethyl-3H-isoindol-1-one
PubChem CID143989241
Molecular FormulaC21H20N4O5
Molecular Weight408.41 g/mol
Exact Mass408.14
IUPAC Name(5S)-5-furo[3,2-b]pyridin-2-ylimidazolidine-2,4-dione;6-methoxy-2,7-dimethyl-3H-isoindol-1-one
SMILESCOc1ccc2c(c1C)C(=O)N(C)C2.O=C1NC(=O)[C@H](c2cc3ncccc3o2)N1
InChIInChI=1S/C11H13NO2.C10H7N3O3/c1-7-9(14-3)5-4-8-6-12(2)11(13)10(7)8;14-9-8(12-10(15)13-9)7-4-5-6(16-7)2-1-3-11-5/h4-5H,6H2,1-3H3;1-4,8H,(H2,12,13,14,15)/t;8-/m.0/s1
InChIKeyHSEWOMAWCFZLQH-WDBKTSHHSA-N
XLogP2.30
TPSA113.77 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.41
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-furo[3,2-b]pyridin-2-ylimidazolidine-2,4-dione;6-methoxy-2,7-dimethyl-3H-isoindol-1-one?
The IUPAC name of (5S)-5-furo[3,2-b]pyridin-2-ylimidazolidine-2,4-dione;6-methoxy-2,7-dimethyl-3H-isoindol-1-one (CID 143989241) is (5S)-5-furo[3,2-b]pyridin-2-ylimidazolidine-2,4-dione;6-methoxy-2,7-dimethyl-3H-isoindol-1-one.
What is the SMILES notation for (5S)-5-furo[3,2-b]pyridin-2-ylimidazolidine-2,4-dione;6-methoxy-2,7-dimethyl-3H-isoindol-1-one?
The canonical SMILES for (5S)-5-furo[3,2-b]pyridin-2-ylimidazolidine-2,4-dione;6-methoxy-2,7-dimethyl-3H-isoindol-1-one is COc1ccc2c(c1C)C(=O)N(C)C2.O=C1NC(=O)[C@H](c2cc3ncccc3o2)N1.
What is the InChIKey of (5S)-5-furo[3,2-b]pyridin-2-ylimidazolidine-2,4-dione;6-methoxy-2,7-dimethyl-3H-isoindol-1-one?
The InChIKey is HSEWOMAWCFZLQH-WDBKTSHHSA-N. The full InChI is InChI=1S/C11H13NO2.C10H7N3O3/c1-7-9(14-3)5-4-8-6-12(2)11(13)10(7)8;14-9-8(12-10(15)13-9)7-4-5-6(16-7)2-1-3-11-5/h4-5H,6H2,1-3H3;1-4,8H,(H2,12,13,14,15)/t;8-/m.0/s1.
What are the key properties of (5S)-5-furo[3,2-b]pyridin-2-ylimidazolidine-2,4-dione;6-methoxy-2,7-dimethyl-3H-isoindol-1-one?
(5S)-5-furo[3,2-b]pyridin-2-ylimidazolidine-2,4-dione;6-methoxy-2,7-dimethyl-3H-isoindol-1-one has a molecular weight of 408.41 g/mol, XLogP of 2.30, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-furo[3,2-b]pyridin-2-ylimidazolidine-2,4-dione;6-methoxy-2,7-dimethyl-3H-isoindol-1-one is sourced from PubChem (CID 143989241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).