(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[6-(4-methoxy-3-pyridinyl)-3-pyridinyl]ethynyl]imidazolidine-2,4-dione

C26H21N5O5 — CID 46200253

IUPAC(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[6-(4-methoxy-3-pyridinyl)-3-pyridinyl]ethynyl]imidazolidine-2,4-dione
SMILESCOc1ccc2c(c1)C(=O)N(C[C@@]1(C#Cc3ccc(-c4cnccc4OC)nc3)NC(=O)NC1=O)C2
InChIInChI=1S/C26H21N5O5/c1-35-18-5-4-17-14-31(23(32)19(17)11-18)15-26(24(33)29-25(34)30-26)9-7-16-3-6-21(28-12-16)20-13-27-10-8-22(20)36-2/h3-6,8,10-13H,14-15H2,1-2H3,(H2,29,30,33,34)/t26-/m1/s1
InChIKeyACLBCFXZZJRMKL-AREMUKBSSA-N
MW483.48 g/mol
LogP1.75
Rot. Bonds5

About (5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[6-(4-methoxy-3-pyridinyl)-3-pyridinyl]ethynyl]imidazolidine-2,4-dione

(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[6-(4-methoxy-3-pyridinyl)-3-pyridinyl]ethynyl]imidazolidine-2,4-dione (PubChem CID 46200253) has the molecular formula C26H21N5O5 and a molecular weight of 483.48 g/mol. Its IUPAC name is (5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[6-(4-methoxy-3-pyridinyl)-3-pyridinyl]ethynyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[6-(4-methoxy-3-pyridinyl)-3-pyridinyl]ethynyl]imidazolidine-2,4-dione
PubChem CID46200253
Molecular FormulaC26H21N5O5
Molecular Weight483.48 g/mol
Exact Mass483.15
IUPAC Name(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[6-(4-methoxy-3-pyridinyl)-3-pyridinyl]ethynyl]imidazolidine-2,4-dione
SMILESCOc1ccc2c(c1)C(=O)N(C[C@@]1(C#Cc3ccc(-c4cnccc4OC)nc3)NC(=O)NC1=O)C2
InChIInChI=1S/C26H21N5O5/c1-35-18-5-4-17-14-31(23(32)19(17)11-18)15-26(24(33)29-25(34)30-26)9-7-16-3-6-21(28-12-16)20-13-27-10-8-22(20)36-2/h3-6,8,10-13H,14-15H2,1-2H3,(H2,29,30,33,34)/t26-/m1/s1
InChIKeyACLBCFXZZJRMKL-AREMUKBSSA-N
XLogP1.75
TPSA122.75 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.48
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze (5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[6-(4-methoxy-3-pyridinyl)-3-pyridinyl]ethynyl]imidazolidine-2,4-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of (5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[6-(4-methoxy-3-pyridinyl)-3-pyridinyl]ethynyl]imidazolidine-2,4-dione?
The IUPAC name of (5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[6-(4-methoxy-3-pyridinyl)-3-pyridinyl]ethynyl]imidazolidine-2,4-dione (CID 46200253) is (5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[6-(4-methoxy-3-pyridinyl)-3-pyridinyl]ethynyl]imidazolidine-2,4-dione.
What is the SMILES notation for (5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[6-(4-methoxy-3-pyridinyl)-3-pyridinyl]ethynyl]imidazolidine-2,4-dione?
The canonical SMILES for (5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[6-(4-methoxy-3-pyridinyl)-3-pyridinyl]ethynyl]imidazolidine-2,4-dione is COc1ccc2c(c1)C(=O)N(C[C@@]1(C#Cc3ccc(-c4cnccc4OC)nc3)NC(=O)NC1=O)C2.
What is the InChIKey of (5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[6-(4-methoxy-3-pyridinyl)-3-pyridinyl]ethynyl]imidazolidine-2,4-dione?
The InChIKey is ACLBCFXZZJRMKL-AREMUKBSSA-N. The full InChI is InChI=1S/C26H21N5O5/c1-35-18-5-4-17-14-31(23(32)19(17)11-18)15-26(24(33)29-25(34)30-26)9-7-16-3-6-21(28-12-16)20-13-27-10-8-22(20)36-2/h3-6,8,10-13H,14-15H2,1-2H3,(H2,29,30,33,34)/t26-/m1/s1.
What are the key properties of (5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[6-(4-methoxy-3-pyridinyl)-3-pyridinyl]ethynyl]imidazolidine-2,4-dione?
(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[6-(4-methoxy-3-pyridinyl)-3-pyridinyl]ethynyl]imidazolidine-2,4-dione has a molecular weight of 483.48 g/mol, XLogP of 1.75, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[6-(4-methoxy-3-pyridinyl)-3-pyridinyl]ethynyl]imidazolidine-2,4-dione is sourced from PubChem (CID 46200253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).