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

C21H18N4O5 — CID 46190060

IUPAC(5S)-5-furo[3,2-b]pyridin-2-yl-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-methylimidazolidine-2,4-dione
SMILESCOc1ccc2c(c1)C(=O)N(C[C@@]1(c3cc4ncccc4o3)NC(=O)N(C)C1=O)C2
InChIInChI=1S/C21H18N4O5/c1-24-19(27)21(23-20(24)28,17-9-15-16(30-17)4-3-7-22-15)11-25-10-12-5-6-13(29-2)8-14(12)18(25)26/h3-9H,10-11H2,1-2H3,(H,23,28)/t21-/m0/s1
InChIKeyMGFSINOYNGKQMT-NRFANRHFSA-N
MW406.40 g/mol
LogP1.87
Rot. Bonds4

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

(5S)-5-furo[3,2-b]pyridin-2-yl-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-methylimidazolidine-2,4-dione (PubChem CID 46190060) has the molecular formula C21H18N4O5 and a molecular weight of 406.40 g/mol. Its IUPAC name is (5S)-5-furo[3,2-b]pyridin-2-yl-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-5-furo[3,2-b]pyridin-2-yl-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-methylimidazolidine-2,4-dione
PubChem CID46190060
Molecular FormulaC21H18N4O5
Molecular Weight406.40 g/mol
Exact Mass406.13
IUPAC Name(5S)-5-furo[3,2-b]pyridin-2-yl-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-methylimidazolidine-2,4-dione
SMILESCOc1ccc2c(c1)C(=O)N(C[C@@]1(c3cc4ncccc4o3)NC(=O)N(C)C1=O)C2
InChIInChI=1S/C21H18N4O5/c1-24-19(27)21(23-20(24)28,17-9-15-16(30-17)4-3-7-22-15)11-25-10-12-5-6-13(29-2)8-14(12)18(25)26/h3-9H,10-11H2,1-2H3,(H,23,28)/t21-/m0/s1
InChIKeyMGFSINOYNGKQMT-NRFANRHFSA-N
XLogP1.87
TPSA104.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.40
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (5S)-5-furo[3,2-b]pyridin-2-yl-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-methylimidazolidine-2,4-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-furo[3,2-b]pyridin-2-yl-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-methylimidazolidine-2,4-dione?
The IUPAC name of (5S)-5-furo[3,2-b]pyridin-2-yl-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-methylimidazolidine-2,4-dione (CID 46190060) is (5S)-5-furo[3,2-b]pyridin-2-yl-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-methylimidazolidine-2,4-dione.
What is the SMILES notation for (5S)-5-furo[3,2-b]pyridin-2-yl-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-methylimidazolidine-2,4-dione?
The canonical SMILES for (5S)-5-furo[3,2-b]pyridin-2-yl-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-methylimidazolidine-2,4-dione is COc1ccc2c(c1)C(=O)N(C[C@@]1(c3cc4ncccc4o3)NC(=O)N(C)C1=O)C2.
What is the InChIKey of (5S)-5-furo[3,2-b]pyridin-2-yl-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-methylimidazolidine-2,4-dione?
The InChIKey is MGFSINOYNGKQMT-NRFANRHFSA-N. The full InChI is InChI=1S/C21H18N4O5/c1-24-19(27)21(23-20(24)28,17-9-15-16(30-17)4-3-7-22-15)11-25-10-12-5-6-13(29-2)8-14(12)18(25)26/h3-9H,10-11H2,1-2H3,(H,23,28)/t21-/m0/s1.
What are the key properties of (5S)-5-furo[3,2-b]pyridin-2-yl-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-methylimidazolidine-2,4-dione?
(5S)-5-furo[3,2-b]pyridin-2-yl-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-methylimidazolidine-2,4-dione has a molecular weight of 406.40 g/mol, XLogP of 1.87, 4 rotatable bonds, 1 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-yl-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-methylimidazolidine-2,4-dione is sourced from PubChem (CID 46190060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).