5-[4-[(4R)-4-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]phenyl]-N-(2,2,2-trifluoroethyl)pyrazine-2-carboxamide

About 5-[4-[(4R)-4-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]phenyl]-N-(2,2,2-trifluoroethyl)pyrazine-2-carboxamide

5-[4-[(4R)-4-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]phenyl]-N-(2,2,2-trifluoroethyl)pyrazine-2-carboxamide (PubChem CID 90703608) has the molecular formula C26H21F3N6O5 and a molecular weight of 554.49 g/mol. Its IUPAC name is 5-[4-[(4R)-4-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]phenyl]-N-(2,2,2-trifluoroethyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name	5-[4-[(4R)-4-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]phenyl]-N-(2,2,2-trifluoroethyl)pyrazine-2-carboxamide
PubChem CID	90703608
Molecular Formula	C26H21F3N6O5
Molecular Weight	554.49 g/mol
Exact Mass	554.15
IUPAC Name	5-[4-[(4R)-4-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]phenyl]-N-(2,2,2-trifluoroethyl)pyrazine-2-carboxamide
SMILES	COc1ccc2cn(C[C@@]3(c4ccc(-c5cnc(C(=O)NCC(F)(F)F)cn5)cc4)NC(=O)NC3=O)c(O)c2c1
InChI	InChI=1S/C26H21F3N6O5/c1-40-17-7-4-15-11-35(22(37)18(15)8-17)13-25(23(38)33-24(39)34-25)16-5-2-14(3-6-16)19-9-31-20(10-30-19)21(36)32-12-26(27,28)29/h2-11,37H,12-13H2,1H3,(H,32,36)(H2,33,34,38,39)/t25-/m0/s1
InChIKey	YJWUKZHHRYKNER-VWLOTQADSA-N
XLogP	2.84
TPSA	147.47 Å²
H-Bond Donors	4
H-Bond Acceptors	8
Rotatable Bonds	7
Heavy Atoms	40
Complexity	—

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	554.49
LogP ≤ 5	2.84
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 5-[4-[(4R)-4-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]phenyl]-N-(2,2,2-trifluoroethyl)pyrazine-2-carboxamide?

The IUPAC name of 5-[4-[(4R)-4-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]phenyl]-N-(2,2,2-trifluoroethyl)pyrazine-2-carboxamide (CID 90703608) is 5-[4-[(4R)-4-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]phenyl]-N-(2,2,2-trifluoroethyl)pyrazine-2-carboxamide.

What is the SMILES notation for 5-[4-[(4R)-4-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]phenyl]-N-(2,2,2-trifluoroethyl)pyrazine-2-carboxamide?

The canonical SMILES for 5-[4-[(4R)-4-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]phenyl]-N-(2,2,2-trifluoroethyl)pyrazine-2-carboxamide is COc1ccc2cn(C[C@@]3(c4ccc(-c5cnc(C(=O)NCC(F)(F)F)cn5)cc4)NC(=O)NC3=O)c(O)c2c1.

What is the InChIKey of 5-[4-[(4R)-4-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]phenyl]-N-(2,2,2-trifluoroethyl)pyrazine-2-carboxamide?

The InChIKey is YJWUKZHHRYKNER-VWLOTQADSA-N. The full InChI is InChI=1S/C26H21F3N6O5/c1-40-17-7-4-15-11-35(22(37)18(15)8-17)13-25(23(38)33-24(39)34-25)16-5-2-14(3-6-16)19-9-31-20(10-30-19)21(36)32-12-26(27,28)29/h2-11,37H,12-13H2,1H3,(H,32,36)(H2,33,34,38,39)/t25-/m0/s1.

What are the key properties of 5-[4-[(4R)-4-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]phenyl]-N-(2,2,2-trifluoroethyl)pyrazine-2-carboxamide?

5-[4-[(4R)-4-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]phenyl]-N-(2,2,2-trifluoroethyl)pyrazine-2-carboxamide has a molecular weight of 554.49 g/mol, XLogP of 2.84, 7 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[4-[(4R)-4-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]phenyl]-N-(2,2,2-trifluoroethyl)pyrazine-2-carboxamide is sourced from PubChem (CID 90703608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).