N-(3-fluorophenyl)-2-(2-naphthalen-1-ylpyrazolo[1,5-a]pyrazin-4-yl)sulfanylacetamide

C24H17FN4OS — CID 27371675

IUPACN-(3-fluorophenyl)-2-(2-naphthalen-1-ylpyrazolo[1,5-a]pyrazin-4-yl)sulfanylacetamide
SMILESO=C(CSc1nccn2nc(-c3cccc4ccccc34)cc12)Nc1cccc(F)c1
InChIInChI=1S/C24H17FN4OS/c25-17-7-4-8-18(13-17)27-23(30)15-31-24-22-14-21(28-29(22)12-11-26-24)20-10-3-6-16-5-1-2-9-19(16)20/h1-14H,15H2,(H,27,30)
InChIKeyROAQALVWZRWZLI-UHFFFAOYSA-N
MW428.49 g/mol
LogP5.42
Rot. Bonds5

About N-(3-fluorophenyl)-2-(2-naphthalen-1-ylpyrazolo[1,5-a]pyrazin-4-yl)sulfanylacetamide

N-(3-fluorophenyl)-2-(2-naphthalen-1-ylpyrazolo[1,5-a]pyrazin-4-yl)sulfanylacetamide (PubChem CID 27371675) has the molecular formula C24H17FN4OS and a molecular weight of 428.49 g/mol. Its IUPAC name is N-(3-fluorophenyl)-2-(2-naphthalen-1-ylpyrazolo[1,5-a]pyrazin-4-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-2-(2-naphthalen-1-ylpyrazolo[1,5-a]pyrazin-4-yl)sulfanylacetamide
PubChem CID27371675
Molecular FormulaC24H17FN4OS
Molecular Weight428.49 g/mol
Exact Mass428.11
IUPAC NameN-(3-fluorophenyl)-2-(2-naphthalen-1-ylpyrazolo[1,5-a]pyrazin-4-yl)sulfanylacetamide
SMILESO=C(CSc1nccn2nc(-c3cccc4ccccc34)cc12)Nc1cccc(F)c1
InChIInChI=1S/C24H17FN4OS/c25-17-7-4-8-18(13-17)27-23(30)15-31-24-22-14-21(28-29(22)12-11-26-24)20-10-3-6-16-5-1-2-9-19(16)20/h1-14H,15H2,(H,27,30)
InChIKeyROAQALVWZRWZLI-UHFFFAOYSA-N
XLogP5.42
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.49
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(3-fluorophenyl)-2-(2-naphthalen-1-ylpyrazolo[1,5-a]pyrazin-4-yl)sulfanylacetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-2-(2-naphthalen-1-ylpyrazolo[1,5-a]pyrazin-4-yl)sulfanylacetamide?
The IUPAC name of N-(3-fluorophenyl)-2-(2-naphthalen-1-ylpyrazolo[1,5-a]pyrazin-4-yl)sulfanylacetamide (CID 27371675) is N-(3-fluorophenyl)-2-(2-naphthalen-1-ylpyrazolo[1,5-a]pyrazin-4-yl)sulfanylacetamide.
What is the SMILES notation for N-(3-fluorophenyl)-2-(2-naphthalen-1-ylpyrazolo[1,5-a]pyrazin-4-yl)sulfanylacetamide?
The canonical SMILES for N-(3-fluorophenyl)-2-(2-naphthalen-1-ylpyrazolo[1,5-a]pyrazin-4-yl)sulfanylacetamide is O=C(CSc1nccn2nc(-c3cccc4ccccc34)cc12)Nc1cccc(F)c1.
What is the InChIKey of N-(3-fluorophenyl)-2-(2-naphthalen-1-ylpyrazolo[1,5-a]pyrazin-4-yl)sulfanylacetamide?
The InChIKey is ROAQALVWZRWZLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17FN4OS/c25-17-7-4-8-18(13-17)27-23(30)15-31-24-22-14-21(28-29(22)12-11-26-24)20-10-3-6-16-5-1-2-9-19(16)20/h1-14H,15H2,(H,27,30).
What are the key properties of N-(3-fluorophenyl)-2-(2-naphthalen-1-ylpyrazolo[1,5-a]pyrazin-4-yl)sulfanylacetamide?
N-(3-fluorophenyl)-2-(2-naphthalen-1-ylpyrazolo[1,5-a]pyrazin-4-yl)sulfanylacetamide has a molecular weight of 428.49 g/mol, XLogP of 5.42, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-2-(2-naphthalen-1-ylpyrazolo[1,5-a]pyrazin-4-yl)sulfanylacetamide is sourced from PubChem (CID 27371675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).