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

C22H20N4O5 — CID 46190061

IUPAC(5S)-3-ethyl-5-furo[3,2-b]pyridin-2-yl-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione
SMILESCCN1C(=O)N[C@@](CN2Cc3ccc(OC)cc3C2=O)(c2cc3ncccc3o2)C1=O
InChIInChI=1S/C22H20N4O5/c1-3-26-20(28)22(24-21(26)29,18-10-16-17(31-18)5-4-8-23-16)12-25-11-13-6-7-14(30-2)9-15(13)19(25)27/h4-10H,3,11-12H2,1-2H3,(H,24,29)/t22-/m0/s1
InChIKeyGQUVFYGVAOAGMV-QFIPXVFZSA-N
MW420.43 g/mol
LogP2.26
Rot. Bonds5

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

(5S)-3-ethyl-5-furo[3,2-b]pyridin-2-yl-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione (PubChem CID 46190061) has the molecular formula C22H20N4O5 and a molecular weight of 420.43 g/mol. Its IUPAC name is (5S)-3-ethyl-5-furo[3,2-b]pyridin-2-yl-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-3-ethyl-5-furo[3,2-b]pyridin-2-yl-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione
PubChem CID46190061
Molecular FormulaC22H20N4O5
Molecular Weight420.43 g/mol
Exact Mass420.14
IUPAC Name(5S)-3-ethyl-5-furo[3,2-b]pyridin-2-yl-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione
SMILESCCN1C(=O)N[C@@](CN2Cc3ccc(OC)cc3C2=O)(c2cc3ncccc3o2)C1=O
InChIInChI=1S/C22H20N4O5/c1-3-26-20(28)22(24-21(26)29,18-10-16-17(31-18)5-4-8-23-16)12-25-11-13-6-7-14(30-2)9-15(13)19(25)27/h4-10H,3,11-12H2,1-2H3,(H,24,29)/t22-/m0/s1
InChIKeyGQUVFYGVAOAGMV-QFIPXVFZSA-N
XLogP2.26
TPSA104.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.43
LogP ≤ 52.26
H-Bond Donors ≤ 51
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)-3-ethyl-5-furo[3,2-b]pyridin-2-yl-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione?
The IUPAC name of (5S)-3-ethyl-5-furo[3,2-b]pyridin-2-yl-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione (CID 46190061) is (5S)-3-ethyl-5-furo[3,2-b]pyridin-2-yl-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione.
What is the SMILES notation for (5S)-3-ethyl-5-furo[3,2-b]pyridin-2-yl-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione?
The canonical SMILES for (5S)-3-ethyl-5-furo[3,2-b]pyridin-2-yl-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione is CCN1C(=O)N[C@@](CN2Cc3ccc(OC)cc3C2=O)(c2cc3ncccc3o2)C1=O.
What is the InChIKey of (5S)-3-ethyl-5-furo[3,2-b]pyridin-2-yl-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione?
The InChIKey is GQUVFYGVAOAGMV-QFIPXVFZSA-N. The full InChI is InChI=1S/C22H20N4O5/c1-3-26-20(28)22(24-21(26)29,18-10-16-17(31-18)5-4-8-23-16)12-25-11-13-6-7-14(30-2)9-15(13)19(25)27/h4-10H,3,11-12H2,1-2H3,(H,24,29)/t22-/m0/s1.
What are the key properties of (5S)-3-ethyl-5-furo[3,2-b]pyridin-2-yl-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione?
(5S)-3-ethyl-5-furo[3,2-b]pyridin-2-yl-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione has a molecular weight of 420.43 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3-ethyl-5-furo[3,2-b]pyridin-2-yl-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 46190061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).