N-[2-[1-(2,2-dimethylpropanoyl)-3-oxo-5-phenyl-2-propan-2-yl-2H-pyrazin-4-yl]-4,4,4-trifluoro-3-oxo-1-phenylbutan-2-yl]acetamide

C30H34F3N3O4 — CID 151547848

IUPACN-[2-[1-(2,2-dimethylpropanoyl)-3-oxo-5-phenyl-2-propan-2-yl-2H-pyrazin-4-yl]-4,4,4-trifluoro-3-oxo-1-phenylbutan-2-yl]acetamide
SMILESCC(=O)NC(Cc1ccccc1)(C(=O)C(F)(F)F)N1C(=O)C(C(C)C)N(C(=O)C(C)(C)C)C=C1c1ccccc1
InChIInChI=1S/C30H34F3N3O4/c1-19(2)24-25(38)36(23(22-15-11-8-12-16-22)18-35(24)27(40)28(4,5)6)29(34-20(3)37,26(39)30(31,32)33)17-21-13-9-7-10-14-21/h7-16,18-19,24H,17H2,1-6H3,(H,34,37)
InChIKeyPZVICMSTHOXAIW-UHFFFAOYSA-N
MW557.61 g/mol
LogP4.93
Rot. Bonds7

About N-[2-[1-(2,2-dimethylpropanoyl)-3-oxo-5-phenyl-2-propan-2-yl-2H-pyrazin-4-yl]-4,4,4-trifluoro-3-oxo-1-phenylbutan-2-yl]acetamide

N-[2-[1-(2,2-dimethylpropanoyl)-3-oxo-5-phenyl-2-propan-2-yl-2H-pyrazin-4-yl]-4,4,4-trifluoro-3-oxo-1-phenylbutan-2-yl]acetamide (PubChem CID 151547848) has the molecular formula C30H34F3N3O4 and a molecular weight of 557.61 g/mol. Its IUPAC name is N-[2-[1-(2,2-dimethylpropanoyl)-3-oxo-5-phenyl-2-propan-2-yl-2H-pyrazin-4-yl]-4,4,4-trifluoro-3-oxo-1-phenylbutan-2-yl]acetamide.

Molecular Properties

Compound NameN-[2-[1-(2,2-dimethylpropanoyl)-3-oxo-5-phenyl-2-propan-2-yl-2H-pyrazin-4-yl]-4,4,4-trifluoro-3-oxo-1-phenylbutan-2-yl]acetamide
PubChem CID151547848
Molecular FormulaC30H34F3N3O4
Molecular Weight557.61 g/mol
Exact Mass557.25
IUPAC NameN-[2-[1-(2,2-dimethylpropanoyl)-3-oxo-5-phenyl-2-propan-2-yl-2H-pyrazin-4-yl]-4,4,4-trifluoro-3-oxo-1-phenylbutan-2-yl]acetamide
SMILESCC(=O)NC(Cc1ccccc1)(C(=O)C(F)(F)F)N1C(=O)C(C(C)C)N(C(=O)C(C)(C)C)C=C1c1ccccc1
InChIInChI=1S/C30H34F3N3O4/c1-19(2)24-25(38)36(23(22-15-11-8-12-16-22)18-35(24)27(40)28(4,5)6)29(34-20(3)37,26(39)30(31,32)33)17-21-13-9-7-10-14-21/h7-16,18-19,24H,17H2,1-6H3,(H,34,37)
InChIKeyPZVICMSTHOXAIW-UHFFFAOYSA-N
XLogP4.93
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500557.61
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-[1-(2,2-dimethylpropanoyl)-3-oxo-5-phenyl-2-propan-2-yl-2H-pyrazin-4-yl]-4,4,4-trifluoro-3-oxo-1-phenylbutan-2-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 4-(2-acetamido-4,4,4-trifluoro-3-oxo-1-phenylbutan-2-yl)-3-oxo-5-phenyl-2-propan-2-yl-2H-pyrazine-1-carboxylate
CID 150662280
N-[2-(1-acetyl-2-cyclohexyl-3-oxo-5-phenyl-2H-pyrazin-4-yl)-4,4,4-trifluoro-3-oxo-1-phenylbutan-2-yl]acetamide
CID 151531784
propan-2-yl (3S)-3-acetamido-2-oxo-3-[3-oxo-5-phenyl-2-propan-2-yl-1-(pyridine-4-carbonyl)-2H-pyrazin-4-yl]-4-phenylbutanoate
CID 151135802
N-[(2S)-1-(5,5-dimethyl-4H-1,3-thiazol-2-yl)-2-[(2R)-1-(2-methylpropanoyl)-3-oxo-5-phenyl-2-propan-2-yl-2H-pyrazin-4-yl]-1-oxo-3-phenylpropan-2-yl]acetamide
CID 67551819
N-[(2S)-1-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-1-oxo-2-[(2R)-3-oxo-5-phenyl-2-propan-2-yl-1-(pyridine-2-carbonyl)-2H-pyrazin-4-yl]-3-phenylpropan-2-yl]acetamide
CID 152550962
N-[3-[1-benzoyl-5-(3-methoxyphenyl)-3-oxo-2-propan-2-yl-2H-pyrazin-4-yl]-1,1,1-trifluoro-2-hydroxy-4-phenylbutan-2-yl]acetamide
CID 150157905
N-[(2S)-2-[(2R)-1-acetyl-3-oxo-5-phenyl-2-propan-2-yl-2H-pyrazin-4-yl]-1-hydroxy-3-phenylpropyl]acetamide
CID 150398217
N-[(2S)-2-(1-acetyl-3-oxo-5-phenyl-2-propan-2-yl-2H-pyrazin-4-yl)-1-(5,5-dimethyl-4H-1,3-thiazol-2-yl)-1-hydroxy-3-phenylpropyl]acetamide
CID 151166410
N-[(2S)-2-(1-acetyl-3-oxo-5-phenyl-2-propan-2-yl-2H-pyrazin-4-yl)-1-(4,5-dihydro-1,3-thiazol-2-yl)-1-hydroxy-3-phenylpropyl]acetamide
CID 150682020
ethyl 4-[(2S)-3-acetamido-3-hydroxy-4-oxo-1-phenyl-4-propan-2-yloxybutan-2-yl]-3-oxo-5-phenyl-2-propan-2-yl-2H-pyrazine-1-carboxylate
CID 151784187
N-[(2S)-1-hydroxy-2-[1-(2-methylpropanoyl)-3-oxo-5-phenyl-2-propan-2-yl-2H-pyrazin-4-yl]-3-phenylpropyl]acetamide
CID 151050685
N-[(2S)-1-cyano-1-hydroxy-2-[(2R)-3-oxo-5-phenyl-2-propan-2-yl-1-(pyridine-4-carbonyl)-2H-pyrazin-4-yl]-3-phenylpropyl]acetamide
CID 152701262

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(2,2-dimethylpropanoyl)-3-oxo-5-phenyl-2-propan-2-yl-2H-pyrazin-4-yl]-4,4,4-trifluoro-3-oxo-1-phenylbutan-2-yl]acetamide?
The IUPAC name of N-[2-[1-(2,2-dimethylpropanoyl)-3-oxo-5-phenyl-2-propan-2-yl-2H-pyrazin-4-yl]-4,4,4-trifluoro-3-oxo-1-phenylbutan-2-yl]acetamide (CID 151547848) is N-[2-[1-(2,2-dimethylpropanoyl)-3-oxo-5-phenyl-2-propan-2-yl-2H-pyrazin-4-yl]-4,4,4-trifluoro-3-oxo-1-phenylbutan-2-yl]acetamide.
What is the SMILES notation for N-[2-[1-(2,2-dimethylpropanoyl)-3-oxo-5-phenyl-2-propan-2-yl-2H-pyrazin-4-yl]-4,4,4-trifluoro-3-oxo-1-phenylbutan-2-yl]acetamide?
The canonical SMILES for N-[2-[1-(2,2-dimethylpropanoyl)-3-oxo-5-phenyl-2-propan-2-yl-2H-pyrazin-4-yl]-4,4,4-trifluoro-3-oxo-1-phenylbutan-2-yl]acetamide is CC(=O)NC(Cc1ccccc1)(C(=O)C(F)(F)F)N1C(=O)C(C(C)C)N(C(=O)C(C)(C)C)C=C1c1ccccc1.
What is the InChIKey of N-[2-[1-(2,2-dimethylpropanoyl)-3-oxo-5-phenyl-2-propan-2-yl-2H-pyrazin-4-yl]-4,4,4-trifluoro-3-oxo-1-phenylbutan-2-yl]acetamide?
The InChIKey is PZVICMSTHOXAIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34F3N3O4/c1-19(2)24-25(38)36(23(22-15-11-8-12-16-22)18-35(24)27(40)28(4,5)6)29(34-20(3)37,26(39)30(31,32)33)17-21-13-9-7-10-14-21/h7-16,18-19,24H,17H2,1-6H3,(H,34,37).
What are the key properties of N-[2-[1-(2,2-dimethylpropanoyl)-3-oxo-5-phenyl-2-propan-2-yl-2H-pyrazin-4-yl]-4,4,4-trifluoro-3-oxo-1-phenylbutan-2-yl]acetamide?
N-[2-[1-(2,2-dimethylpropanoyl)-3-oxo-5-phenyl-2-propan-2-yl-2H-pyrazin-4-yl]-4,4,4-trifluoro-3-oxo-1-phenylbutan-2-yl]acetamide has a molecular weight of 557.61 g/mol, XLogP of 4.93, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(2,2-dimethylpropanoyl)-3-oxo-5-phenyl-2-propan-2-yl-2H-pyrazin-4-yl]-4,4,4-trifluoro-3-oxo-1-phenylbutan-2-yl]acetamide is sourced from PubChem (CID 151547848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).