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

C31H29F3N4O4 — CID 22284568

IUPAC2-[3-oxo-5-phenyl-2-propan-2-yl-1-(pyridine-4-carbonyl)-2H-pyrazin-4-yl]-N-(4,4,4-trifluoro-3-oxo-1-phenylbutan-2-yl)acetamide
SMILESCC(C)C1C(=O)N(CC(=O)NC(Cc2ccccc2)C(=O)C(F)(F)F)C(c2ccccc2)=CN1C(=O)c1ccncc1
InChIInChI=1S/C31H29F3N4O4/c1-20(2)27-30(42)37(19-26(39)36-24(28(40)31(32,33)34)17-21-9-5-3-6-10-21)25(22-11-7-4-8-12-22)18-38(27)29(41)23-13-15-35-16-14-23/h3-16,18,20,24,27H,17,19H2,1-2H3,(H,36,39)
InChIKeySNZMXGPUQWBMTQ-UHFFFAOYSA-N
MW578.59 g/mol
LogP4.25
Rot. Bonds9

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

2-[3-oxo-5-phenyl-2-propan-2-yl-1-(pyridine-4-carbonyl)-2H-pyrazin-4-yl]-N-(4,4,4-trifluoro-3-oxo-1-phenylbutan-2-yl)acetamide (PubChem CID 22284568) has the molecular formula C31H29F3N4O4 and a molecular weight of 578.59 g/mol. Its IUPAC name is 2-[3-oxo-5-phenyl-2-propan-2-yl-1-(pyridine-4-carbonyl)-2H-pyrazin-4-yl]-N-(4,4,4-trifluoro-3-oxo-1-phenylbutan-2-yl)acetamide.

Molecular Properties

Compound Name2-[3-oxo-5-phenyl-2-propan-2-yl-1-(pyridine-4-carbonyl)-2H-pyrazin-4-yl]-N-(4,4,4-trifluoro-3-oxo-1-phenylbutan-2-yl)acetamide
PubChem CID22284568
Molecular FormulaC31H29F3N4O4
Molecular Weight578.59 g/mol
Exact Mass578.21
IUPAC Name2-[3-oxo-5-phenyl-2-propan-2-yl-1-(pyridine-4-carbonyl)-2H-pyrazin-4-yl]-N-(4,4,4-trifluoro-3-oxo-1-phenylbutan-2-yl)acetamide
SMILESCC(C)C1C(=O)N(CC(=O)NC(Cc2ccccc2)C(=O)C(F)(F)F)C(c2ccccc2)=CN1C(=O)c1ccncc1
InChIInChI=1S/C31H29F3N4O4/c1-20(2)27-30(42)37(19-26(39)36-24(28(40)31(32,33)34)17-21-9-5-3-6-10-21)25(22-11-7-4-8-12-22)18-38(27)29(41)23-13-15-35-16-14-23/h3-16,18,20,24,27H,17,19H2,1-2H3,(H,36,39)
InChIKeySNZMXGPUQWBMTQ-UHFFFAOYSA-N
XLogP4.25
TPSA99.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500578.59
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-oxo-5-phenyl-2-propan-2-yl-1-(pyridine-4-carbonyl)-2H-pyrazin-4-yl]-N-(4,4,4-trifluoro-3-oxo-1-phenylbutan-2-yl)acetamide?
The IUPAC name of 2-[3-oxo-5-phenyl-2-propan-2-yl-1-(pyridine-4-carbonyl)-2H-pyrazin-4-yl]-N-(4,4,4-trifluoro-3-oxo-1-phenylbutan-2-yl)acetamide (CID 22284568) is 2-[3-oxo-5-phenyl-2-propan-2-yl-1-(pyridine-4-carbonyl)-2H-pyrazin-4-yl]-N-(4,4,4-trifluoro-3-oxo-1-phenylbutan-2-yl)acetamide.
What is the SMILES notation for 2-[3-oxo-5-phenyl-2-propan-2-yl-1-(pyridine-4-carbonyl)-2H-pyrazin-4-yl]-N-(4,4,4-trifluoro-3-oxo-1-phenylbutan-2-yl)acetamide?
The canonical SMILES for 2-[3-oxo-5-phenyl-2-propan-2-yl-1-(pyridine-4-carbonyl)-2H-pyrazin-4-yl]-N-(4,4,4-trifluoro-3-oxo-1-phenylbutan-2-yl)acetamide is CC(C)C1C(=O)N(CC(=O)NC(Cc2ccccc2)C(=O)C(F)(F)F)C(c2ccccc2)=CN1C(=O)c1ccncc1.
What is the InChIKey of 2-[3-oxo-5-phenyl-2-propan-2-yl-1-(pyridine-4-carbonyl)-2H-pyrazin-4-yl]-N-(4,4,4-trifluoro-3-oxo-1-phenylbutan-2-yl)acetamide?
The InChIKey is SNZMXGPUQWBMTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H29F3N4O4/c1-20(2)27-30(42)37(19-26(39)36-24(28(40)31(32,33)34)17-21-9-5-3-6-10-21)25(22-11-7-4-8-12-22)18-38(27)29(41)23-13-15-35-16-14-23/h3-16,18,20,24,27H,17,19H2,1-2H3,(H,36,39).
What are the key properties of 2-[3-oxo-5-phenyl-2-propan-2-yl-1-(pyridine-4-carbonyl)-2H-pyrazin-4-yl]-N-(4,4,4-trifluoro-3-oxo-1-phenylbutan-2-yl)acetamide?
2-[3-oxo-5-phenyl-2-propan-2-yl-1-(pyridine-4-carbonyl)-2H-pyrazin-4-yl]-N-(4,4,4-trifluoro-3-oxo-1-phenylbutan-2-yl)acetamide has a molecular weight of 578.59 g/mol, XLogP of 4.25, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-oxo-5-phenyl-2-propan-2-yl-1-(pyridine-4-carbonyl)-2H-pyrazin-4-yl]-N-(4,4,4-trifluoro-3-oxo-1-phenylbutan-2-yl)acetamide is sourced from PubChem (CID 22284568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).