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

C26H21N5O4 — CID 58053645

IUPAC(5S)-5-[(5-ethyl-3-oxo-1H-isoindol-2-yl)methyl]-5-(5-pyridin-3-ylfuro[2,3-c]pyridin-2-yl)imidazolidine-2,4-dione
SMILESCCc1ccc2c(c1)C(=O)N(C[C@@]1(c3cc4cc(-c5cccnc5)ncc4o3)NC(=O)NC1=O)C2
InChIInChI=1S/C26H21N5O4/c1-2-15-5-6-17-13-31(23(32)19(17)8-15)14-26(24(33)29-25(34)30-26)22-10-18-9-20(28-12-21(18)35-22)16-4-3-7-27-11-16/h3-12H,2,13-14H2,1H3,(H2,29,30,33,34)/t26-/m0/s1
InChIKeyQVLRGLXTSLPPQL-SANMLTNESA-N
MW467.49 g/mol
LogP3.14
Rot. Bonds5

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

(5S)-5-[(5-ethyl-3-oxo-1H-isoindol-2-yl)methyl]-5-(5-pyridin-3-ylfuro[2,3-c]pyridin-2-yl)imidazolidine-2,4-dione (PubChem CID 58053645) has the molecular formula C26H21N5O4 and a molecular weight of 467.49 g/mol. Its IUPAC name is (5S)-5-[(5-ethyl-3-oxo-1H-isoindol-2-yl)methyl]-5-(5-pyridin-3-ylfuro[2,3-c]pyridin-2-yl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-5-[(5-ethyl-3-oxo-1H-isoindol-2-yl)methyl]-5-(5-pyridin-3-ylfuro[2,3-c]pyridin-2-yl)imidazolidine-2,4-dione
PubChem CID58053645
Molecular FormulaC26H21N5O4
Molecular Weight467.49 g/mol
Exact Mass467.16
IUPAC Name(5S)-5-[(5-ethyl-3-oxo-1H-isoindol-2-yl)methyl]-5-(5-pyridin-3-ylfuro[2,3-c]pyridin-2-yl)imidazolidine-2,4-dione
SMILESCCc1ccc2c(c1)C(=O)N(C[C@@]1(c3cc4cc(-c5cccnc5)ncc4o3)NC(=O)NC1=O)C2
InChIInChI=1S/C26H21N5O4/c1-2-15-5-6-17-13-31(23(32)19(17)8-15)14-26(24(33)29-25(34)30-26)22-10-18-9-20(28-12-21(18)35-22)16-4-3-7-27-11-16/h3-12H,2,13-14H2,1H3,(H2,29,30,33,34)/t26-/m0/s1
InChIKeyQVLRGLXTSLPPQL-SANMLTNESA-N
XLogP3.14
TPSA117.43 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.49
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-[(5-ethyl-3-oxo-1H-isoindol-2-yl)methyl]-5-(5-pyridin-3-ylfuro[2,3-c]pyridin-2-yl)imidazolidine-2,4-dione?
The IUPAC name of (5S)-5-[(5-ethyl-3-oxo-1H-isoindol-2-yl)methyl]-5-(5-pyridin-3-ylfuro[2,3-c]pyridin-2-yl)imidazolidine-2,4-dione (CID 58053645) is (5S)-5-[(5-ethyl-3-oxo-1H-isoindol-2-yl)methyl]-5-(5-pyridin-3-ylfuro[2,3-c]pyridin-2-yl)imidazolidine-2,4-dione.
What is the SMILES notation for (5S)-5-[(5-ethyl-3-oxo-1H-isoindol-2-yl)methyl]-5-(5-pyridin-3-ylfuro[2,3-c]pyridin-2-yl)imidazolidine-2,4-dione?
The canonical SMILES for (5S)-5-[(5-ethyl-3-oxo-1H-isoindol-2-yl)methyl]-5-(5-pyridin-3-ylfuro[2,3-c]pyridin-2-yl)imidazolidine-2,4-dione is CCc1ccc2c(c1)C(=O)N(C[C@@]1(c3cc4cc(-c5cccnc5)ncc4o3)NC(=O)NC1=O)C2.
What is the InChIKey of (5S)-5-[(5-ethyl-3-oxo-1H-isoindol-2-yl)methyl]-5-(5-pyridin-3-ylfuro[2,3-c]pyridin-2-yl)imidazolidine-2,4-dione?
The InChIKey is QVLRGLXTSLPPQL-SANMLTNESA-N. The full InChI is InChI=1S/C26H21N5O4/c1-2-15-5-6-17-13-31(23(32)19(17)8-15)14-26(24(33)29-25(34)30-26)22-10-18-9-20(28-12-21(18)35-22)16-4-3-7-27-11-16/h3-12H,2,13-14H2,1H3,(H2,29,30,33,34)/t26-/m0/s1.
What are the key properties of (5S)-5-[(5-ethyl-3-oxo-1H-isoindol-2-yl)methyl]-5-(5-pyridin-3-ylfuro[2,3-c]pyridin-2-yl)imidazolidine-2,4-dione?
(5S)-5-[(5-ethyl-3-oxo-1H-isoindol-2-yl)methyl]-5-(5-pyridin-3-ylfuro[2,3-c]pyridin-2-yl)imidazolidine-2,4-dione has a molecular weight of 467.49 g/mol, XLogP of 3.14, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[(5-ethyl-3-oxo-1H-isoindol-2-yl)methyl]-5-(5-pyridin-3-ylfuro[2,3-c]pyridin-2-yl)imidazolidine-2,4-dione is sourced from PubChem (CID 58053645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).