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

C25H19FN4OS — CID 27371679

IUPACN-[(4-fluorophenyl)methyl]-2-(2-naphthalen-1-ylpyrazolo[1,5-a]pyrazin-4-yl)sulfanylacetamide
SMILESO=C(CSc1nccn2nc(-c3cccc4ccccc34)cc12)NCc1ccc(F)cc1
InChIInChI=1S/C25H19FN4OS/c26-19-10-8-17(9-11-19)15-28-24(31)16-32-25-23-14-22(29-30(23)13-12-27-25)21-7-3-5-18-4-1-2-6-20(18)21/h1-14H,15-16H2,(H,28,31)
InChIKeyKKYCPMZGXMFHCD-UHFFFAOYSA-N
MW442.52 g/mol
LogP5.10
Rot. Bonds6

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

N-[(4-fluorophenyl)methyl]-2-(2-naphthalen-1-ylpyrazolo[1,5-a]pyrazin-4-yl)sulfanylacetamide (PubChem CID 27371679) has the molecular formula C25H19FN4OS and a molecular weight of 442.52 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-2-(2-naphthalen-1-ylpyrazolo[1,5-a]pyrazin-4-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-2-(2-naphthalen-1-ylpyrazolo[1,5-a]pyrazin-4-yl)sulfanylacetamide
PubChem CID27371679
Molecular FormulaC25H19FN4OS
Molecular Weight442.52 g/mol
Exact Mass442.13
IUPAC NameN-[(4-fluorophenyl)methyl]-2-(2-naphthalen-1-ylpyrazolo[1,5-a]pyrazin-4-yl)sulfanylacetamide
SMILESO=C(CSc1nccn2nc(-c3cccc4ccccc34)cc12)NCc1ccc(F)cc1
InChIInChI=1S/C25H19FN4OS/c26-19-10-8-17(9-11-19)15-28-24(31)16-32-25-23-14-22(29-30(23)13-12-27-25)21-7-3-5-18-4-1-2-6-20(18)21/h1-14H,15-16H2,(H,28,31)
InChIKeyKKYCPMZGXMFHCD-UHFFFAOYSA-N
XLogP5.10
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.52
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-2-(2-naphthalen-1-ylpyrazolo[1,5-a]pyrazin-4-yl)sulfanylacetamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-2-(2-naphthalen-1-ylpyrazolo[1,5-a]pyrazin-4-yl)sulfanylacetamide (CID 27371679) is N-[(4-fluorophenyl)methyl]-2-(2-naphthalen-1-ylpyrazolo[1,5-a]pyrazin-4-yl)sulfanylacetamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-2-(2-naphthalen-1-ylpyrazolo[1,5-a]pyrazin-4-yl)sulfanylacetamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-2-(2-naphthalen-1-ylpyrazolo[1,5-a]pyrazin-4-yl)sulfanylacetamide is O=C(CSc1nccn2nc(-c3cccc4ccccc34)cc12)NCc1ccc(F)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-2-(2-naphthalen-1-ylpyrazolo[1,5-a]pyrazin-4-yl)sulfanylacetamide?
The InChIKey is KKYCPMZGXMFHCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19FN4OS/c26-19-10-8-17(9-11-19)15-28-24(31)16-32-25-23-14-22(29-30(23)13-12-27-25)21-7-3-5-18-4-1-2-6-20(18)21/h1-14H,15-16H2,(H,28,31).
What are the key properties of N-[(4-fluorophenyl)methyl]-2-(2-naphthalen-1-ylpyrazolo[1,5-a]pyrazin-4-yl)sulfanylacetamide?
N-[(4-fluorophenyl)methyl]-2-(2-naphthalen-1-ylpyrazolo[1,5-a]pyrazin-4-yl)sulfanylacetamide has a molecular weight of 442.52 g/mol, XLogP of 5.10, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-2-(2-naphthalen-1-ylpyrazolo[1,5-a]pyrazin-4-yl)sulfanylacetamide is sourced from PubChem (CID 27371679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).