(5R)-5-[(5-ethoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(5-fluoro-2-pyridinyl)phenyl]imidazolidine-2,4-dione

C25H21FN4O4 — CID 70910723

IUPAC(5R)-5-[(5-ethoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(5-fluoro-2-pyridinyl)phenyl]imidazolidine-2,4-dione
SMILESCCOc1ccc2c(c1)C(=O)N(C[C@@]1(c3ccc(-c4ccc(F)cn4)cc3)NC(=O)NC1=O)C2
InChIInChI=1S/C25H21FN4O4/c1-2-34-19-9-5-16-13-30(22(31)20(16)11-19)14-25(23(32)28-24(33)29-25)17-6-3-15(4-7-17)21-10-8-18(26)12-27-21/h3-12H,2,13-14H2,1H3,(H2,28,29,32,33)/t25-/m0/s1
InChIKeyWEQUGFWSSZWYCJ-VWLOTQADSA-N
MW460.47 g/mol
LogP2.98
Rot. Bonds6

About (5R)-5-[(5-ethoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(5-fluoro-2-pyridinyl)phenyl]imidazolidine-2,4-dione

(5R)-5-[(5-ethoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(5-fluoro-2-pyridinyl)phenyl]imidazolidine-2,4-dione (PubChem CID 70910723) has the molecular formula C25H21FN4O4 and a molecular weight of 460.47 g/mol. Its IUPAC name is (5R)-5-[(5-ethoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(5-fluoro-2-pyridinyl)phenyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-5-[(5-ethoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(5-fluoro-2-pyridinyl)phenyl]imidazolidine-2,4-dione
PubChem CID70910723
Molecular FormulaC25H21FN4O4
Molecular Weight460.47 g/mol
Exact Mass460.15
IUPAC Name(5R)-5-[(5-ethoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(5-fluoro-2-pyridinyl)phenyl]imidazolidine-2,4-dione
SMILESCCOc1ccc2c(c1)C(=O)N(C[C@@]1(c3ccc(-c4ccc(F)cn4)cc3)NC(=O)NC1=O)C2
InChIInChI=1S/C25H21FN4O4/c1-2-34-19-9-5-16-13-30(22(31)20(16)11-19)14-25(23(32)28-24(33)29-25)17-6-3-15(4-7-17)21-10-8-18(26)12-27-21/h3-12H,2,13-14H2,1H3,(H2,28,29,32,33)/t25-/m0/s1
InChIKeyWEQUGFWSSZWYCJ-VWLOTQADSA-N
XLogP2.98
TPSA100.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.47
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5R)-5-[(5-ethoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(5-fluoro-2-pyridinyl)phenyl]imidazolidine-2,4-dione?
The IUPAC name of (5R)-5-[(5-ethoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(5-fluoro-2-pyridinyl)phenyl]imidazolidine-2,4-dione (CID 70910723) is (5R)-5-[(5-ethoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(5-fluoro-2-pyridinyl)phenyl]imidazolidine-2,4-dione.
What is the SMILES notation for (5R)-5-[(5-ethoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(5-fluoro-2-pyridinyl)phenyl]imidazolidine-2,4-dione?
The canonical SMILES for (5R)-5-[(5-ethoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(5-fluoro-2-pyridinyl)phenyl]imidazolidine-2,4-dione is CCOc1ccc2c(c1)C(=O)N(C[C@@]1(c3ccc(-c4ccc(F)cn4)cc3)NC(=O)NC1=O)C2.
What is the InChIKey of (5R)-5-[(5-ethoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(5-fluoro-2-pyridinyl)phenyl]imidazolidine-2,4-dione?
The InChIKey is WEQUGFWSSZWYCJ-VWLOTQADSA-N. The full InChI is InChI=1S/C25H21FN4O4/c1-2-34-19-9-5-16-13-30(22(31)20(16)11-19)14-25(23(32)28-24(33)29-25)17-6-3-15(4-7-17)21-10-8-18(26)12-27-21/h3-12H,2,13-14H2,1H3,(H2,28,29,32,33)/t25-/m0/s1.
What are the key properties of (5R)-5-[(5-ethoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(5-fluoro-2-pyridinyl)phenyl]imidazolidine-2,4-dione?
(5R)-5-[(5-ethoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(5-fluoro-2-pyridinyl)phenyl]imidazolidine-2,4-dione has a molecular weight of 460.47 g/mol, XLogP of 2.98, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[(5-ethoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(5-fluoro-2-pyridinyl)phenyl]imidazolidine-2,4-dione is sourced from PubChem (CID 70910723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).