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

C26H21N5O4 — CID 46200252

IUPAC(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[6-(4-methyl-3-pyridinyl)-3-pyridinyl]ethynyl]imidazolidine-2,4-dione
SMILESCOc1ccc2c(c1)C(=O)N(C[C@@]1(C#Cc3ccc(-c4cnccc4C)nc3)NC(=O)NC1=O)C2
InChIInChI=1S/C26H21N5O4/c1-16-8-10-27-13-21(16)22-6-3-17(12-28-22)7-9-26(24(33)29-25(34)30-26)15-31-14-18-4-5-19(35-2)11-20(18)23(31)32/h3-6,8,10-13H,14-15H2,1-2H3,(H2,29,30,33,34)/t26-/m1/s1
InChIKeyUGQOIMPGEOZSRC-AREMUKBSSA-N
MW467.49 g/mol
LogP2.05
Rot. Bonds4

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

(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[6-(4-methyl-3-pyridinyl)-3-pyridinyl]ethynyl]imidazolidine-2,4-dione (PubChem CID 46200252) has the molecular formula C26H21N5O4 and a molecular weight of 467.49 g/mol. Its IUPAC name is (5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[6-(4-methyl-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-methyl-3-pyridinyl)-3-pyridinyl]ethynyl]imidazolidine-2,4-dione
PubChem CID46200252
Molecular FormulaC26H21N5O4
Molecular Weight467.49 g/mol
Exact Mass467.16
IUPAC Name(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[6-(4-methyl-3-pyridinyl)-3-pyridinyl]ethynyl]imidazolidine-2,4-dione
SMILESCOc1ccc2c(c1)C(=O)N(C[C@@]1(C#Cc3ccc(-c4cnccc4C)nc3)NC(=O)NC1=O)C2
InChIInChI=1S/C26H21N5O4/c1-16-8-10-27-13-21(16)22-6-3-17(12-28-22)7-9-26(24(33)29-25(34)30-26)15-31-14-18-4-5-19(35-2)11-20(18)23(31)32/h3-6,8,10-13H,14-15H2,1-2H3,(H2,29,30,33,34)/t26-/m1/s1
InChIKeyUGQOIMPGEOZSRC-AREMUKBSSA-N
XLogP2.05
TPSA113.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.49
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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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-methyl-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-methyl-3-pyridinyl)-3-pyridinyl]ethynyl]imidazolidine-2,4-dione (CID 46200252) is (5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[6-(4-methyl-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-methyl-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-methyl-3-pyridinyl)-3-pyridinyl]ethynyl]imidazolidine-2,4-dione is COc1ccc2c(c1)C(=O)N(C[C@@]1(C#Cc3ccc(-c4cnccc4C)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-methyl-3-pyridinyl)-3-pyridinyl]ethynyl]imidazolidine-2,4-dione?
The InChIKey is UGQOIMPGEOZSRC-AREMUKBSSA-N. The full InChI is InChI=1S/C26H21N5O4/c1-16-8-10-27-13-21(16)22-6-3-17(12-28-22)7-9-26(24(33)29-25(34)30-26)15-31-14-18-4-5-19(35-2)11-20(18)23(31)32/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-methyl-3-pyridinyl)-3-pyridinyl]ethynyl]imidazolidine-2,4-dione?
(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[6-(4-methyl-3-pyridinyl)-3-pyridinyl]ethynyl]imidazolidine-2,4-dione has a molecular weight of 467.49 g/mol, XLogP of 2.05, 4 rotatable bonds, 2 hydrogen bond donors, and 6 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-methyl-3-pyridinyl)-3-pyridinyl]ethynyl]imidazolidine-2,4-dione is sourced from PubChem (CID 46200252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).