(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-pyrazin-2-ylimidazolidine-2,4-dione

C17H15N5O4 — CID 46881608

IUPAC(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-pyrazin-2-ylimidazolidine-2,4-dione
SMILESCOc1ccc2c(c1)C(=O)N(C[C@@]1(c3cnccn3)NC(=O)NC1=O)C2
InChIInChI=1S/C17H15N5O4/c1-26-11-3-2-10-8-22(14(23)12(10)6-11)9-17(13-7-18-4-5-19-13)15(24)20-16(25)21-17/h2-7H,8-9H2,1H3,(H2,20,21,24,25)/t17-/m0/s1
InChIKeyNNWAOWAMVGAOSU-KRWDZBQOSA-N
MW353.34 g/mol
LogP0.18
Rot. Bonds4

About (5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-pyrazin-2-ylimidazolidine-2,4-dione

(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-pyrazin-2-ylimidazolidine-2,4-dione (PubChem CID 46881608) has the molecular formula C17H15N5O4 and a molecular weight of 353.34 g/mol. Its IUPAC name is (5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-pyrazin-2-ylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-pyrazin-2-ylimidazolidine-2,4-dione
PubChem CID46881608
Molecular FormulaC17H15N5O4
Molecular Weight353.34 g/mol
Exact Mass353.11
IUPAC Name(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-pyrazin-2-ylimidazolidine-2,4-dione
SMILESCOc1ccc2c(c1)C(=O)N(C[C@@]1(c3cnccn3)NC(=O)NC1=O)C2
InChIInChI=1S/C17H15N5O4/c1-26-11-3-2-10-8-22(14(23)12(10)6-11)9-17(13-7-18-4-5-19-13)15(24)20-16(25)21-17/h2-7H,8-9H2,1H3,(H2,20,21,24,25)/t17-/m0/s1
InChIKeyNNWAOWAMVGAOSU-KRWDZBQOSA-N
XLogP0.18
TPSA113.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.34
LogP ≤ 50.18
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-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-pyrazin-2-ylimidazolidine-2,4-dione?
The IUPAC name of (5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-pyrazin-2-ylimidazolidine-2,4-dione (CID 46881608) is (5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-pyrazin-2-ylimidazolidine-2,4-dione.
What is the SMILES notation for (5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-pyrazin-2-ylimidazolidine-2,4-dione?
The canonical SMILES for (5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-pyrazin-2-ylimidazolidine-2,4-dione is COc1ccc2c(c1)C(=O)N(C[C@@]1(c3cnccn3)NC(=O)NC1=O)C2.
What is the InChIKey of (5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-pyrazin-2-ylimidazolidine-2,4-dione?
The InChIKey is NNWAOWAMVGAOSU-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H15N5O4/c1-26-11-3-2-10-8-22(14(23)12(10)6-11)9-17(13-7-18-4-5-19-13)15(24)20-16(25)21-17/h2-7H,8-9H2,1H3,(H2,20,21,24,25)/t17-/m0/s1.
What are the key properties of (5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-pyrazin-2-ylimidazolidine-2,4-dione?
(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-pyrazin-2-ylimidazolidine-2,4-dione has a molecular weight of 353.34 g/mol, XLogP of 0.18, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-pyrazin-2-ylimidazolidine-2,4-dione is sourced from PubChem (CID 46881608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).