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

C20H18N4OS2 — CID 53334274

IUPACN-(2,3-dimethylphenyl)-2-(2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-yl)sulfanylacetamide
SMILESCc1cccc(NC(=O)CSc2nccn3nc(-c4cccs4)cc23)c1C
InChIInChI=1S/C20H18N4OS2/c1-13-5-3-6-15(14(13)2)22-19(25)12-27-20-17-11-16(18-7-4-10-26-18)23-24(17)9-8-21-20/h3-11H,12H2,1-2H3,(H,22,25)
InChIKeyAQGBNUSIABJPNZ-UHFFFAOYSA-N
MW394.53 g/mol
LogP4.81
Rot. Bonds5

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

N-(2,3-dimethylphenyl)-2-(2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-yl)sulfanylacetamide (PubChem CID 53334274) has the molecular formula C20H18N4OS2 and a molecular weight of 394.53 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-2-(2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-2-(2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-yl)sulfanylacetamide
PubChem CID53334274
Molecular FormulaC20H18N4OS2
Molecular Weight394.53 g/mol
Exact Mass394.09
IUPAC NameN-(2,3-dimethylphenyl)-2-(2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-yl)sulfanylacetamide
SMILESCc1cccc(NC(=O)CSc2nccn3nc(-c4cccs4)cc23)c1C
InChIInChI=1S/C20H18N4OS2/c1-13-5-3-6-15(14(13)2)22-19(25)12-27-20-17-11-16(18-7-4-10-26-18)23-24(17)9-8-21-20/h3-11H,12H2,1-2H3,(H,22,25)
InChIKeyAQGBNUSIABJPNZ-UHFFFAOYSA-N
XLogP4.81
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.53
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-yl)sulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide
CID 53334231
N-(2,6-dimethylphenyl)-2-[2-(4-methylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanylacetamide
CID 27509335
4-[(4-methylphenyl)methylsulfanyl]-2-thiophen-2-ylpyrazolo[1,5-a]pyrazine
CID 27373086
N-(2,5-dimethylphenyl)-2-(2-naphthalen-1-ylpyrazolo[1,5-a]pyrazin-4-yl)sulfanylacetamide
CID 27371451
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-(2,6-dimethylphenyl)acetamide
CID 27372712
2-[2-(4-ethoxyphenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanyl-N-[2-(trifluoromethyl)phenyl]acetamide
CID 53334301
ethyl 2-[[2-[2-(4-ethoxyphenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanylacetyl]amino]benzoate
CID 53334326
N-(2-chloro-4-fluorophenyl)-2-[2-(3,4-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanylacetamide
CID 53334217
N-(2,5-dimethoxyphenyl)-2-(2-phenylpyrazolo[1,5-a]pyrazin-4-yl)sulfanylacetamide
CID 27441032
N-(3-methoxyphenyl)-2-[2-(4-methylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanylacetamide
CID 27509399

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-2-(2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-yl)sulfanylacetamide?
The IUPAC name of N-(2,3-dimethylphenyl)-2-(2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-yl)sulfanylacetamide (CID 53334274) is N-(2,3-dimethylphenyl)-2-(2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-yl)sulfanylacetamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-2-(2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-yl)sulfanylacetamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-2-(2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-yl)sulfanylacetamide is Cc1cccc(NC(=O)CSc2nccn3nc(-c4cccs4)cc23)c1C.
What is the InChIKey of N-(2,3-dimethylphenyl)-2-(2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-yl)sulfanylacetamide?
The InChIKey is AQGBNUSIABJPNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4OS2/c1-13-5-3-6-15(14(13)2)22-19(25)12-27-20-17-11-16(18-7-4-10-26-18)23-24(17)9-8-21-20/h3-11H,12H2,1-2H3,(H,22,25).
What are the key properties of N-(2,3-dimethylphenyl)-2-(2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-yl)sulfanylacetamide?
N-(2,3-dimethylphenyl)-2-(2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-yl)sulfanylacetamide has a molecular weight of 394.53 g/mol, XLogP of 4.81, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)-2-(2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-yl)sulfanylacetamide is sourced from PubChem (CID 53334274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).