2-(2-naphthalen-1-ylpyrazolo[1,5-a]pyrazin-4-yl)sulfanyl-N-[2-(trifluoromethyl)phenyl]acetamide

C25H17F3N4OS — CID 27371445

IUPAC2-(2-naphthalen-1-ylpyrazolo[1,5-a]pyrazin-4-yl)sulfanyl-N-[2-(trifluoromethyl)phenyl]acetamide
SMILESO=C(CSc1nccn2nc(-c3cccc4ccccc34)cc12)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C25H17F3N4OS/c26-25(27,28)19-10-3-4-11-20(19)30-23(33)15-34-24-22-14-21(31-32(22)13-12-29-24)18-9-5-7-16-6-1-2-8-17(16)18/h1-14H,15H2,(H,30,33)
InChIKeyJOBVUVXGMLGIGS-UHFFFAOYSA-N
MW478.50 g/mol
LogP6.30
Rot. Bonds5

About 2-(2-naphthalen-1-ylpyrazolo[1,5-a]pyrazin-4-yl)sulfanyl-N-[2-(trifluoromethyl)phenyl]acetamide

2-(2-naphthalen-1-ylpyrazolo[1,5-a]pyrazin-4-yl)sulfanyl-N-[2-(trifluoromethyl)phenyl]acetamide (PubChem CID 27371445) has the molecular formula C25H17F3N4OS and a molecular weight of 478.50 g/mol. Its IUPAC name is 2-(2-naphthalen-1-ylpyrazolo[1,5-a]pyrazin-4-yl)sulfanyl-N-[2-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(2-naphthalen-1-ylpyrazolo[1,5-a]pyrazin-4-yl)sulfanyl-N-[2-(trifluoromethyl)phenyl]acetamide
PubChem CID27371445
Molecular FormulaC25H17F3N4OS
Molecular Weight478.50 g/mol
Exact Mass478.11
IUPAC Name2-(2-naphthalen-1-ylpyrazolo[1,5-a]pyrazin-4-yl)sulfanyl-N-[2-(trifluoromethyl)phenyl]acetamide
SMILESO=C(CSc1nccn2nc(-c3cccc4ccccc34)cc12)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C25H17F3N4OS/c26-25(27,28)19-10-3-4-11-20(19)30-23(33)15-34-24-22-14-21(31-32(22)13-12-29-24)18-9-5-7-16-6-1-2-8-17(16)18/h1-14H,15H2,(H,30,33)
InChIKeyJOBVUVXGMLGIGS-UHFFFAOYSA-N
XLogP6.30
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.50
LogP ≤ 56.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-naphthalen-1-ylpyrazolo[1,5-a]pyrazin-4-yl)sulfanyl-N-[2-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-(2-naphthalen-1-ylpyrazolo[1,5-a]pyrazin-4-yl)sulfanyl-N-[2-(trifluoromethyl)phenyl]acetamide (CID 27371445) is 2-(2-naphthalen-1-ylpyrazolo[1,5-a]pyrazin-4-yl)sulfanyl-N-[2-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-(2-naphthalen-1-ylpyrazolo[1,5-a]pyrazin-4-yl)sulfanyl-N-[2-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-(2-naphthalen-1-ylpyrazolo[1,5-a]pyrazin-4-yl)sulfanyl-N-[2-(trifluoromethyl)phenyl]acetamide is O=C(CSc1nccn2nc(-c3cccc4ccccc34)cc12)Nc1ccccc1C(F)(F)F.
What is the InChIKey of 2-(2-naphthalen-1-ylpyrazolo[1,5-a]pyrazin-4-yl)sulfanyl-N-[2-(trifluoromethyl)phenyl]acetamide?
The InChIKey is JOBVUVXGMLGIGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17F3N4OS/c26-25(27,28)19-10-3-4-11-20(19)30-23(33)15-34-24-22-14-21(31-32(22)13-12-29-24)18-9-5-7-16-6-1-2-8-17(16)18/h1-14H,15H2,(H,30,33).
What are the key properties of 2-(2-naphthalen-1-ylpyrazolo[1,5-a]pyrazin-4-yl)sulfanyl-N-[2-(trifluoromethyl)phenyl]acetamide?
2-(2-naphthalen-1-ylpyrazolo[1,5-a]pyrazin-4-yl)sulfanyl-N-[2-(trifluoromethyl)phenyl]acetamide has a molecular weight of 478.50 g/mol, XLogP of 6.30, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-naphthalen-1-ylpyrazolo[1,5-a]pyrazin-4-yl)sulfanyl-N-[2-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 27371445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).