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

C27H22N4O5 — CID 46190062

IUPAC(5S)-3-benzyl-5-furo[3,2-c]pyridin-2-yl-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione
SMILESCOc1ccc2c(c1)C(=O)N(C[C@@]1(c3cc4cnccc4o3)NC(=O)N(Cc3ccccc3)C1=O)C2
InChIInChI=1S/C27H22N4O5/c1-35-20-8-7-18-15-30(24(32)21(18)12-20)16-27(23-11-19-13-28-10-9-22(19)36-23)25(33)31(26(34)29-27)14-17-5-3-2-4-6-17/h2-13H,14-16H2,1H3,(H,29,34)/t27-/m0/s1
InChIKeyXGZCYLYRQZKRHV-MHZLTWQESA-N
MW482.50 g/mol
LogP3.44
Rot. Bonds6

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

(5S)-3-benzyl-5-furo[3,2-c]pyridin-2-yl-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione (PubChem CID 46190062) has the molecular formula C27H22N4O5 and a molecular weight of 482.50 g/mol. Its IUPAC name is (5S)-3-benzyl-5-furo[3,2-c]pyridin-2-yl-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-3-benzyl-5-furo[3,2-c]pyridin-2-yl-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione
PubChem CID46190062
Molecular FormulaC27H22N4O5
Molecular Weight482.50 g/mol
Exact Mass482.16
IUPAC Name(5S)-3-benzyl-5-furo[3,2-c]pyridin-2-yl-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione
SMILESCOc1ccc2c(c1)C(=O)N(C[C@@]1(c3cc4cnccc4o3)NC(=O)N(Cc3ccccc3)C1=O)C2
InChIInChI=1S/C27H22N4O5/c1-35-20-8-7-18-15-30(24(32)21(18)12-20)16-27(23-11-19-13-28-10-9-22(19)36-23)25(33)31(26(34)29-27)14-17-5-3-2-4-6-17/h2-13H,14-16H2,1H3,(H,29,34)/t27-/m0/s1
InChIKeyXGZCYLYRQZKRHV-MHZLTWQESA-N
XLogP3.44
TPSA104.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.50
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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

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Frequently Asked Questions

What is the IUPAC name of (5S)-3-benzyl-5-furo[3,2-c]pyridin-2-yl-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione?
The IUPAC name of (5S)-3-benzyl-5-furo[3,2-c]pyridin-2-yl-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione (CID 46190062) is (5S)-3-benzyl-5-furo[3,2-c]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-benzyl-5-furo[3,2-c]pyridin-2-yl-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione?
The canonical SMILES for (5S)-3-benzyl-5-furo[3,2-c]pyridin-2-yl-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione is COc1ccc2c(c1)C(=O)N(C[C@@]1(c3cc4cnccc4o3)NC(=O)N(Cc3ccccc3)C1=O)C2.
What is the InChIKey of (5S)-3-benzyl-5-furo[3,2-c]pyridin-2-yl-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione?
The InChIKey is XGZCYLYRQZKRHV-MHZLTWQESA-N. The full InChI is InChI=1S/C27H22N4O5/c1-35-20-8-7-18-15-30(24(32)21(18)12-20)16-27(23-11-19-13-28-10-9-22(19)36-23)25(33)31(26(34)29-27)14-17-5-3-2-4-6-17/h2-13H,14-16H2,1H3,(H,29,34)/t27-/m0/s1.
What are the key properties of (5S)-3-benzyl-5-furo[3,2-c]pyridin-2-yl-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione?
(5S)-3-benzyl-5-furo[3,2-c]pyridin-2-yl-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione has a molecular weight of 482.50 g/mol, XLogP of 3.44, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3-benzyl-5-furo[3,2-c]pyridin-2-yl-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 46190062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).