N-(2,5-difluorophenyl)-2-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanylacetamide

C20H13F3N4OS — CID 27371824

IUPACN-(2,5-difluorophenyl)-2-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanylacetamide
SMILESO=C(CSc1nccn2nc(-c3ccc(F)cc3)cc12)Nc1cc(F)ccc1F
InChIInChI=1S/C20H13F3N4OS/c21-13-3-1-12(2-4-13)16-10-18-20(24-7-8-27(18)26-16)29-11-19(28)25-17-9-14(22)5-6-15(17)23/h1-10H,11H2,(H,25,28)
InChIKeyKWVAQYDKFPHOCO-UHFFFAOYSA-N
MW414.41 g/mol
LogP4.54
Rot. Bonds5

About N-(2,5-difluorophenyl)-2-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanylacetamide

N-(2,5-difluorophenyl)-2-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanylacetamide (PubChem CID 27371824) has the molecular formula C20H13F3N4OS and a molecular weight of 414.41 g/mol. Its IUPAC name is N-(2,5-difluorophenyl)-2-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(2,5-difluorophenyl)-2-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanylacetamide
PubChem CID27371824
Molecular FormulaC20H13F3N4OS
Molecular Weight414.41 g/mol
Exact Mass414.08
IUPAC NameN-(2,5-difluorophenyl)-2-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanylacetamide
SMILESO=C(CSc1nccn2nc(-c3ccc(F)cc3)cc12)Nc1cc(F)ccc1F
InChIInChI=1S/C20H13F3N4OS/c21-13-3-1-12(2-4-13)16-10-18-20(24-7-8-27(18)26-16)29-11-19(28)25-17-9-14(22)5-6-15(17)23/h1-10H,11H2,(H,25,28)
InChIKeyKWVAQYDKFPHOCO-UHFFFAOYSA-N
XLogP4.54
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.41
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,5-difluorophenyl)-2-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanylacetamide?
The IUPAC name of N-(2,5-difluorophenyl)-2-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanylacetamide (CID 27371824) is N-(2,5-difluorophenyl)-2-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanylacetamide.
What is the SMILES notation for N-(2,5-difluorophenyl)-2-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanylacetamide?
The canonical SMILES for N-(2,5-difluorophenyl)-2-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanylacetamide is O=C(CSc1nccn2nc(-c3ccc(F)cc3)cc12)Nc1cc(F)ccc1F.
What is the InChIKey of N-(2,5-difluorophenyl)-2-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanylacetamide?
The InChIKey is KWVAQYDKFPHOCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13F3N4OS/c21-13-3-1-12(2-4-13)16-10-18-20(24-7-8-27(18)26-16)29-11-19(28)25-17-9-14(22)5-6-15(17)23/h1-10H,11H2,(H,25,28).
What are the key properties of N-(2,5-difluorophenyl)-2-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanylacetamide?
N-(2,5-difluorophenyl)-2-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanylacetamide has a molecular weight of 414.41 g/mol, XLogP of 4.54, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-difluorophenyl)-2-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanylacetamide is sourced from PubChem (CID 27371824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).