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

C26H22N4OS — CID 27371451

IUPACN-(2,5-dimethylphenyl)-2-(2-naphthalen-1-ylpyrazolo[1,5-a]pyrazin-4-yl)sulfanylacetamide
SMILESCc1ccc(C)c(NC(=O)CSc2nccn3nc(-c4cccc5ccccc45)cc23)c1
InChIInChI=1S/C26H22N4OS/c1-17-10-11-18(2)22(14-17)28-25(31)16-32-26-24-15-23(29-30(24)13-12-27-26)21-9-5-7-19-6-3-4-8-20(19)21/h3-15H,16H2,1-2H3,(H,28,31)
InChIKeyAPDJWIIDPFYOKP-UHFFFAOYSA-N
MW438.56 g/mol
LogP5.90
Rot. Bonds5

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

N-(2,5-dimethylphenyl)-2-(2-naphthalen-1-ylpyrazolo[1,5-a]pyrazin-4-yl)sulfanylacetamide (PubChem CID 27371451) has the molecular formula C26H22N4OS and a molecular weight of 438.56 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-2-(2-naphthalen-1-ylpyrazolo[1,5-a]pyrazin-4-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-2-(2-naphthalen-1-ylpyrazolo[1,5-a]pyrazin-4-yl)sulfanylacetamide
PubChem CID27371451
Molecular FormulaC26H22N4OS
Molecular Weight438.56 g/mol
Exact Mass438.15
IUPAC NameN-(2,5-dimethylphenyl)-2-(2-naphthalen-1-ylpyrazolo[1,5-a]pyrazin-4-yl)sulfanylacetamide
SMILESCc1ccc(C)c(NC(=O)CSc2nccn3nc(-c4cccc5ccccc45)cc23)c1
InChIInChI=1S/C26H22N4OS/c1-17-10-11-18(2)22(14-17)28-25(31)16-32-26-24-15-23(29-30(24)13-12-27-26)21-9-5-7-19-6-3-4-8-20(19)21/h3-15H,16H2,1-2H3,(H,28,31)
InChIKeyAPDJWIIDPFYOKP-UHFFFAOYSA-N
XLogP5.90
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.56
LogP ≤ 55.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,6-dimethylphenyl)-2-[2-(4-methylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanylacetamide
CID 27509335
2-[2-(3,4-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanyl-N-(3-methylphenyl)acetamide
CID 53334154
N-(2-bromophenyl)-2-[2-(2-methoxyphenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanylacetamide
CID 27372426
2-[2-(2-butoxyphenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanyl-N-(2,4,6-trimethylphenyl)acetamide
CID 27372713
2-[2-(2-butoxyphenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanyl-N-(2,6-dimethylphenyl)acetamide
CID 27372712
N-(2,4-dimethoxyphenyl)-2-[2-(2-methoxyphenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanylacetamide
CID 27372451
N-(2,3-dimethylphenyl)-2-(2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-yl)sulfanylacetamide
CID 53334274
N-(2-chloro-4-methylphenyl)-2-[2-(4-ethoxyphenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanylacetamide
CID 53334329
N-(2,5-dimethylphenyl)-2-[4-(3,5-dimethylphenyl)-3-oxopyrazin-2-yl]sulfanylacetamide
CID 7246354
N-(2,5-dimethylphenyl)-2-quinolin-8-ylsulfanylacetamide
CID 1121409
N-(2,5-dimethylphenyl)-2-(4,6-diphenylpyrimidin-2-yl)sulfanylacetamide
CID 39922186
ethyl 2-[[2-[2-(4-ethoxyphenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanylacetyl]amino]benzoate
CID 53334326

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-2-(2-naphthalen-1-ylpyrazolo[1,5-a]pyrazin-4-yl)sulfanylacetamide?
The IUPAC name of N-(2,5-dimethylphenyl)-2-(2-naphthalen-1-ylpyrazolo[1,5-a]pyrazin-4-yl)sulfanylacetamide (CID 27371451) is N-(2,5-dimethylphenyl)-2-(2-naphthalen-1-ylpyrazolo[1,5-a]pyrazin-4-yl)sulfanylacetamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-2-(2-naphthalen-1-ylpyrazolo[1,5-a]pyrazin-4-yl)sulfanylacetamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-2-(2-naphthalen-1-ylpyrazolo[1,5-a]pyrazin-4-yl)sulfanylacetamide is Cc1ccc(C)c(NC(=O)CSc2nccn3nc(-c4cccc5ccccc45)cc23)c1.
What is the InChIKey of N-(2,5-dimethylphenyl)-2-(2-naphthalen-1-ylpyrazolo[1,5-a]pyrazin-4-yl)sulfanylacetamide?
The InChIKey is APDJWIIDPFYOKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N4OS/c1-17-10-11-18(2)22(14-17)28-25(31)16-32-26-24-15-23(29-30(24)13-12-27-26)21-9-5-7-19-6-3-4-8-20(19)21/h3-15H,16H2,1-2H3,(H,28,31).
What are the key properties of N-(2,5-dimethylphenyl)-2-(2-naphthalen-1-ylpyrazolo[1,5-a]pyrazin-4-yl)sulfanylacetamide?
N-(2,5-dimethylphenyl)-2-(2-naphthalen-1-ylpyrazolo[1,5-a]pyrazin-4-yl)sulfanylacetamide has a molecular weight of 438.56 g/mol, XLogP of 5.90, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)-2-(2-naphthalen-1-ylpyrazolo[1,5-a]pyrazin-4-yl)sulfanylacetamide is sourced from PubChem (CID 27371451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).