4-[(2-fluorophenyl)methylsulfanyl]-2-naphthalen-1-ylpyrazolo[1,5-a]pyrazine

C23H16FN3S — CID 27373083

IUPAC4-[(2-fluorophenyl)methylsulfanyl]-2-naphthalen-1-ylpyrazolo[1,5-a]pyrazine
SMILESFc1ccccc1CSc1nccn2nc(-c3cccc4ccccc34)cc12
InChIInChI=1S/C23H16FN3S/c24-20-11-4-2-7-17(20)15-28-23-22-14-21(26-27(22)13-12-25-23)19-10-5-8-16-6-1-3-9-18(16)19/h1-14H,15H2
InChIKeyKGZVGYCLOJOXLB-UHFFFAOYSA-N
MW385.47 g/mol
LogP5.98
Rot. Bonds4

About 4-[(2-fluorophenyl)methylsulfanyl]-2-naphthalen-1-ylpyrazolo[1,5-a]pyrazine

4-[(2-fluorophenyl)methylsulfanyl]-2-naphthalen-1-ylpyrazolo[1,5-a]pyrazine (PubChem CID 27373083) has the molecular formula C23H16FN3S and a molecular weight of 385.47 g/mol. Its IUPAC name is 4-[(2-fluorophenyl)methylsulfanyl]-2-naphthalen-1-ylpyrazolo[1,5-a]pyrazine.

Molecular Properties

Compound Name4-[(2-fluorophenyl)methylsulfanyl]-2-naphthalen-1-ylpyrazolo[1,5-a]pyrazine
PubChem CID27373083
Molecular FormulaC23H16FN3S
Molecular Weight385.47 g/mol
Exact Mass385.10
IUPAC Name4-[(2-fluorophenyl)methylsulfanyl]-2-naphthalen-1-ylpyrazolo[1,5-a]pyrazine
SMILESFc1ccccc1CSc1nccn2nc(-c3cccc4ccccc34)cc12
InChIInChI=1S/C23H16FN3S/c24-20-11-4-2-7-17(20)15-28-23-22-14-21(26-27(22)13-12-25-23)19-10-5-8-16-6-1-3-9-18(16)19/h1-14H,15H2
InChIKeyKGZVGYCLOJOXLB-UHFFFAOYSA-N
XLogP5.98
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.47
LogP ≤ 55.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-[(2-fluorophenyl)methylsulfanyl]-2-naphthalen-1-ylpyrazolo[1,5-a]pyrazine 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 4-[(2-fluorophenyl)methylsulfanyl]-2-naphthalen-1-ylpyrazolo[1,5-a]pyrazine?
The IUPAC name of 4-[(2-fluorophenyl)methylsulfanyl]-2-naphthalen-1-ylpyrazolo[1,5-a]pyrazine (CID 27373083) is 4-[(2-fluorophenyl)methylsulfanyl]-2-naphthalen-1-ylpyrazolo[1,5-a]pyrazine.
What is the SMILES notation for 4-[(2-fluorophenyl)methylsulfanyl]-2-naphthalen-1-ylpyrazolo[1,5-a]pyrazine?
The canonical SMILES for 4-[(2-fluorophenyl)methylsulfanyl]-2-naphthalen-1-ylpyrazolo[1,5-a]pyrazine is Fc1ccccc1CSc1nccn2nc(-c3cccc4ccccc34)cc12.
What is the InChIKey of 4-[(2-fluorophenyl)methylsulfanyl]-2-naphthalen-1-ylpyrazolo[1,5-a]pyrazine?
The InChIKey is KGZVGYCLOJOXLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16FN3S/c24-20-11-4-2-7-17(20)15-28-23-22-14-21(26-27(22)13-12-25-23)19-10-5-8-16-6-1-3-9-18(16)19/h1-14H,15H2.
What are the key properties of 4-[(2-fluorophenyl)methylsulfanyl]-2-naphthalen-1-ylpyrazolo[1,5-a]pyrazine?
4-[(2-fluorophenyl)methylsulfanyl]-2-naphthalen-1-ylpyrazolo[1,5-a]pyrazine has a molecular weight of 385.47 g/mol, XLogP of 5.98, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-fluorophenyl)methylsulfanyl]-2-naphthalen-1-ylpyrazolo[1,5-a]pyrazine is sourced from PubChem (CID 27373083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).