N-(3-methoxyphenyl)-2-(2-phenylpyrazolo[1,5-a]pyrazin-4-yl)sulfanylacetamide

C21H18N4O2S — CID 27444905

IUPACN-(3-methoxyphenyl)-2-(2-phenylpyrazolo[1,5-a]pyrazin-4-yl)sulfanylacetamide
SMILESCOc1cccc(NC(=O)CSc2nccn3nc(-c4ccccc4)cc23)c1
InChIInChI=1S/C21H18N4O2S/c1-27-17-9-5-8-16(12-17)23-20(26)14-28-21-19-13-18(15-6-3-2-4-7-15)24-25(19)11-10-22-21/h2-13H,14H2,1H3,(H,23,26)
InChIKeySTJRNFCYDWNMFZ-UHFFFAOYSA-N
MW390.47 g/mol
LogP4.14
Rot. Bonds6

About N-(3-methoxyphenyl)-2-(2-phenylpyrazolo[1,5-a]pyrazin-4-yl)sulfanylacetamide

N-(3-methoxyphenyl)-2-(2-phenylpyrazolo[1,5-a]pyrazin-4-yl)sulfanylacetamide (PubChem CID 27444905) has the molecular formula C21H18N4O2S and a molecular weight of 390.47 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-2-(2-phenylpyrazolo[1,5-a]pyrazin-4-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-2-(2-phenylpyrazolo[1,5-a]pyrazin-4-yl)sulfanylacetamide
PubChem CID27444905
Molecular FormulaC21H18N4O2S
Molecular Weight390.47 g/mol
Exact Mass390.12
IUPAC NameN-(3-methoxyphenyl)-2-(2-phenylpyrazolo[1,5-a]pyrazin-4-yl)sulfanylacetamide
SMILESCOc1cccc(NC(=O)CSc2nccn3nc(-c4ccccc4)cc23)c1
InChIInChI=1S/C21H18N4O2S/c1-27-17-9-5-8-16(12-17)23-20(26)14-28-21-19-13-18(15-6-3-2-4-7-15)24-25(19)11-10-22-21/h2-13H,14H2,1H3,(H,23,26)
InChIKeySTJRNFCYDWNMFZ-UHFFFAOYSA-N
XLogP4.14
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.47
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-methoxyphenyl)-2-[2-(4-methylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanylacetamide
CID 27509399
N-(2,5-dimethoxyphenyl)-2-(2-phenylpyrazolo[1,5-a]pyrazin-4-yl)sulfanylacetamide
CID 27441032
ethyl 3-[[2-[2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanylacetyl]amino]benzoate
CID 27651732
N-[(3-methoxyphenyl)methyl]-2-[2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanylacetamide
CID 27443662
2-[2-(4-ethoxyphenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanyl-N-(3-methylsulfanylphenyl)acetamide
CID 53334341
2-[2-(4-ethoxyphenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanyl-N-(3-propan-2-ylphenyl)acetamide
CID 53334376
N-(4-ethoxyphenyl)-2-[2-(4-ethoxyphenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanylacetamide
CID 53334287
ethyl 3-[[2-[2-(4-methylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanylacetyl]amino]benzoate
CID 27651728
4-ethylsulfanyl-2-(3-methoxyphenyl)pyrazolo[1,5-a]pyrazine
CID 50772088
2-[2-(3,4-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanyl-N-(3-methylphenyl)acetamide
CID 53334154
N-(2,4-dimethoxyphenyl)-2-[2-(2-methoxyphenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanylacetamide
CID 27372451
2-[2-(4-ethoxyphenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanyl-N-(4-fluorophenyl)acetamide
CID 53334320

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-2-(2-phenylpyrazolo[1,5-a]pyrazin-4-yl)sulfanylacetamide?
The IUPAC name of N-(3-methoxyphenyl)-2-(2-phenylpyrazolo[1,5-a]pyrazin-4-yl)sulfanylacetamide (CID 27444905) is N-(3-methoxyphenyl)-2-(2-phenylpyrazolo[1,5-a]pyrazin-4-yl)sulfanylacetamide.
What is the SMILES notation for N-(3-methoxyphenyl)-2-(2-phenylpyrazolo[1,5-a]pyrazin-4-yl)sulfanylacetamide?
The canonical SMILES for N-(3-methoxyphenyl)-2-(2-phenylpyrazolo[1,5-a]pyrazin-4-yl)sulfanylacetamide is COc1cccc(NC(=O)CSc2nccn3nc(-c4ccccc4)cc23)c1.
What is the InChIKey of N-(3-methoxyphenyl)-2-(2-phenylpyrazolo[1,5-a]pyrazin-4-yl)sulfanylacetamide?
The InChIKey is STJRNFCYDWNMFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O2S/c1-27-17-9-5-8-16(12-17)23-20(26)14-28-21-19-13-18(15-6-3-2-4-7-15)24-25(19)11-10-22-21/h2-13H,14H2,1H3,(H,23,26).
What are the key properties of N-(3-methoxyphenyl)-2-(2-phenylpyrazolo[1,5-a]pyrazin-4-yl)sulfanylacetamide?
N-(3-methoxyphenyl)-2-(2-phenylpyrazolo[1,5-a]pyrazin-4-yl)sulfanylacetamide has a molecular weight of 390.47 g/mol, XLogP of 4.14, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-2-(2-phenylpyrazolo[1,5-a]pyrazin-4-yl)sulfanylacetamide is sourced from PubChem (CID 27444905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).