(5R)-5-[[1-hydroxy-6-(2,2,2-trifluoroethoxy)isoindol-2-yl]methyl]-5-(4-pyrazin-2-ylphenyl)imidazolidine-2,4-dione

C24H18F3N5O4 — CID 91388976

IUPAC(5R)-5-[[1-hydroxy-6-(2,2,2-trifluoroethoxy)isoindol-2-yl]methyl]-5-(4-pyrazin-2-ylphenyl)imidazolidine-2,4-dione
SMILESO=C1NC(=O)[C@](Cn2cc3ccc(OCC(F)(F)F)cc3c2O)(c2ccc(-c3cnccn3)cc2)N1
InChIInChI=1S/C24H18F3N5O4/c25-24(26,27)13-36-17-6-3-15-11-32(20(33)18(15)9-17)12-23(21(34)30-22(35)31-23)16-4-1-14(2-5-16)19-10-28-7-8-29-19/h1-11,33H,12-13H2,(H2,30,31,34,35)/t23-/m0/s1
InChIKeyIDFAHGVISZLRPY-QHCPKHFHSA-N
MW497.43 g/mol
LogP3.48
Rot. Bonds6

About (5R)-5-[[1-hydroxy-6-(2,2,2-trifluoroethoxy)isoindol-2-yl]methyl]-5-(4-pyrazin-2-ylphenyl)imidazolidine-2,4-dione

(5R)-5-[[1-hydroxy-6-(2,2,2-trifluoroethoxy)isoindol-2-yl]methyl]-5-(4-pyrazin-2-ylphenyl)imidazolidine-2,4-dione (PubChem CID 91388976) has the molecular formula C24H18F3N5O4 and a molecular weight of 497.43 g/mol. Its IUPAC name is (5R)-5-[[1-hydroxy-6-(2,2,2-trifluoroethoxy)isoindol-2-yl]methyl]-5-(4-pyrazin-2-ylphenyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-5-[[1-hydroxy-6-(2,2,2-trifluoroethoxy)isoindol-2-yl]methyl]-5-(4-pyrazin-2-ylphenyl)imidazolidine-2,4-dione
PubChem CID91388976
Molecular FormulaC24H18F3N5O4
Molecular Weight497.43 g/mol
Exact Mass497.13
IUPAC Name(5R)-5-[[1-hydroxy-6-(2,2,2-trifluoroethoxy)isoindol-2-yl]methyl]-5-(4-pyrazin-2-ylphenyl)imidazolidine-2,4-dione
SMILESO=C1NC(=O)[C@](Cn2cc3ccc(OCC(F)(F)F)cc3c2O)(c2ccc(-c3cnccn3)cc2)N1
InChIInChI=1S/C24H18F3N5O4/c25-24(26,27)13-36-17-6-3-15-11-32(20(33)18(15)9-17)12-23(21(34)30-22(35)31-23)16-4-1-14(2-5-16)19-10-28-7-8-29-19/h1-11,33H,12-13H2,(H2,30,31,34,35)/t23-/m0/s1
InChIKeyIDFAHGVISZLRPY-QHCPKHFHSA-N
XLogP3.48
TPSA118.37 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.43
LogP ≤ 53.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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-[[1-hydroxy-6-(2,2,2-trifluoroethoxy)isoindol-2-yl]methyl]-5-(4-pyrazin-2-ylphenyl)imidazolidine-2,4-dione?
The IUPAC name of (5R)-5-[[1-hydroxy-6-(2,2,2-trifluoroethoxy)isoindol-2-yl]methyl]-5-(4-pyrazin-2-ylphenyl)imidazolidine-2,4-dione (CID 91388976) is (5R)-5-[[1-hydroxy-6-(2,2,2-trifluoroethoxy)isoindol-2-yl]methyl]-5-(4-pyrazin-2-ylphenyl)imidazolidine-2,4-dione.
What is the SMILES notation for (5R)-5-[[1-hydroxy-6-(2,2,2-trifluoroethoxy)isoindol-2-yl]methyl]-5-(4-pyrazin-2-ylphenyl)imidazolidine-2,4-dione?
The canonical SMILES for (5R)-5-[[1-hydroxy-6-(2,2,2-trifluoroethoxy)isoindol-2-yl]methyl]-5-(4-pyrazin-2-ylphenyl)imidazolidine-2,4-dione is O=C1NC(=O)[C@](Cn2cc3ccc(OCC(F)(F)F)cc3c2O)(c2ccc(-c3cnccn3)cc2)N1.
What is the InChIKey of (5R)-5-[[1-hydroxy-6-(2,2,2-trifluoroethoxy)isoindol-2-yl]methyl]-5-(4-pyrazin-2-ylphenyl)imidazolidine-2,4-dione?
The InChIKey is IDFAHGVISZLRPY-QHCPKHFHSA-N. The full InChI is InChI=1S/C24H18F3N5O4/c25-24(26,27)13-36-17-6-3-15-11-32(20(33)18(15)9-17)12-23(21(34)30-22(35)31-23)16-4-1-14(2-5-16)19-10-28-7-8-29-19/h1-11,33H,12-13H2,(H2,30,31,34,35)/t23-/m0/s1.
What are the key properties of (5R)-5-[[1-hydroxy-6-(2,2,2-trifluoroethoxy)isoindol-2-yl]methyl]-5-(4-pyrazin-2-ylphenyl)imidazolidine-2,4-dione?
(5R)-5-[[1-hydroxy-6-(2,2,2-trifluoroethoxy)isoindol-2-yl]methyl]-5-(4-pyrazin-2-ylphenyl)imidazolidine-2,4-dione has a molecular weight of 497.43 g/mol, XLogP of 3.48, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[[1-hydroxy-6-(2,2,2-trifluoroethoxy)isoindol-2-yl]methyl]-5-(4-pyrazin-2-ylphenyl)imidazolidine-2,4-dione is sourced from PubChem (CID 91388976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).