2-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]acetamide

C20H22N8OS — CID 43071065

IUPAC2-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]acetamide
SMILESCSc1nc2nc(C)c(CC(=O)Nc3ccc(-n4nc(C)cc4C)nc3)c(C)n2n1
InChIInChI=1S/C20H22N8OS/c1-11-8-12(2)27(25-11)17-7-6-15(10-21-17)23-18(29)9-16-13(3)22-19-24-20(30-5)26-28(19)14(16)4/h6-8,10H,9H2,1-5H3,(H,23,29)
InChIKeyXFJYORCZXWEAGN-UHFFFAOYSA-N
MW422.52 g/mol
LogP2.84
Rot. Bonds5

About 2-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]acetamide

2-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]acetamide (PubChem CID 43071065) has the molecular formula C20H22N8OS and a molecular weight of 422.52 g/mol. Its IUPAC name is 2-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]acetamide.

Molecular Properties

Compound Name2-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]acetamide
PubChem CID43071065
Molecular FormulaC20H22N8OS
Molecular Weight422.52 g/mol
Exact Mass422.16
IUPAC Name2-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]acetamide
SMILESCSc1nc2nc(C)c(CC(=O)Nc3ccc(-n4nc(C)cc4C)nc3)c(C)n2n1
InChIInChI=1S/C20H22N8OS/c1-11-8-12(2)27(25-11)17-7-6-15(10-21-17)23-18(29)9-16-13(3)22-19-24-20(30-5)26-28(19)14(16)4/h6-8,10H,9H2,1-5H3,(H,23,29)
InChIKeyXFJYORCZXWEAGN-UHFFFAOYSA-N
XLogP2.84
TPSA102.89 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.52
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 2-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]acetamide with MolForge

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Related Compounds

2-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(3,4-dimethylphenyl)acetamide
CID 9043043
1-[5-[[2-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetyl]amino]-2-pyridinyl]piperidine-3-carboxamide
CID 55700721
2-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(3-fluoro-4-methoxyphenyl)acetamide
CID 55796564
2-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(2,4,6-trimethyl-3-pyridinyl)acetamide
CID 78837351
2-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-pyridin-2-ylacetamide
CID 18162398
2-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(2,5-dimethylphenyl)acetamide
CID 9042609
N-(5-chloro-2-methylphenyl)-2-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetamide
CID 9046544
N-(2,5-dichlorophenyl)-2-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetamide
CID 17498674
2-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(2-fluoro-5-methylphenyl)acetamide
CID 9455228
2-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[3-(5-methyltetrazol-1-yl)phenyl]acetamide
CID 55676880
N-(3-chloro-2,6-diethylphenyl)-2-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetamide
CID 17496559
2-(5,7-dimethyl-2-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(4-fluorophenyl)acetamide
CID 50750342

Frequently Asked Questions

What is the IUPAC name of 2-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]acetamide?
The IUPAC name of 2-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]acetamide (CID 43071065) is 2-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]acetamide.
What is the SMILES notation for 2-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]acetamide?
The canonical SMILES for 2-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]acetamide is CSc1nc2nc(C)c(CC(=O)Nc3ccc(-n4nc(C)cc4C)nc3)c(C)n2n1.
What is the InChIKey of 2-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]acetamide?
The InChIKey is XFJYORCZXWEAGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N8OS/c1-11-8-12(2)27(25-11)17-7-6-15(10-21-17)23-18(29)9-16-13(3)22-19-24-20(30-5)26-28(19)14(16)4/h6-8,10H,9H2,1-5H3,(H,23,29).
What are the key properties of 2-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]acetamide?
2-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]acetamide has a molecular weight of 422.52 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]acetamide is sourced from PubChem (CID 43071065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).