2-[2-(2-methoxyphenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanyl-N-(2,4,6-trimethylphenyl)acetamide

C24H24N4O2S — CID 27372459

IUPAC2-[2-(2-methoxyphenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanyl-N-(2,4,6-trimethylphenyl)acetamide
SMILESCOc1ccccc1-c1cc2c(SCC(=O)Nc3c(C)cc(C)cc3C)nccn2n1
InChIInChI=1S/C24H24N4O2S/c1-15-11-16(2)23(17(3)12-15)26-22(29)14-31-24-20-13-19(27-28(20)10-9-25-24)18-7-5-6-8-21(18)30-4/h5-13H,14H2,1-4H3,(H,26,29)
InChIKeySBGGFZDCOHIMCN-UHFFFAOYSA-N
MW432.55 g/mol
LogP5.06
Rot. Bonds6

About 2-[2-(2-methoxyphenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanyl-N-(2,4,6-trimethylphenyl)acetamide

2-[2-(2-methoxyphenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanyl-N-(2,4,6-trimethylphenyl)acetamide (PubChem CID 27372459) has the molecular formula C24H24N4O2S and a molecular weight of 432.55 g/mol. Its IUPAC name is 2-[2-(2-methoxyphenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanyl-N-(2,4,6-trimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[2-(2-methoxyphenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanyl-N-(2,4,6-trimethylphenyl)acetamide
PubChem CID27372459
Molecular FormulaC24H24N4O2S
Molecular Weight432.55 g/mol
Exact Mass432.16
IUPAC Name2-[2-(2-methoxyphenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanyl-N-(2,4,6-trimethylphenyl)acetamide
SMILESCOc1ccccc1-c1cc2c(SCC(=O)Nc3c(C)cc(C)cc3C)nccn2n1
InChIInChI=1S/C24H24N4O2S/c1-15-11-16(2)23(17(3)12-15)26-22(29)14-31-24-20-13-19(27-28(20)10-9-25-24)18-7-5-6-8-21(18)30-4/h5-13H,14H2,1-4H3,(H,26,29)
InChIKeySBGGFZDCOHIMCN-UHFFFAOYSA-N
XLogP5.06
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.55
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[2-(2-methoxyphenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanyl-N-(2,4,6-trimethylphenyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methoxyphenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanyl-N-(2,4,6-trimethylphenyl)acetamide?
The IUPAC name of 2-[2-(2-methoxyphenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanyl-N-(2,4,6-trimethylphenyl)acetamide (CID 27372459) is 2-[2-(2-methoxyphenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanyl-N-(2,4,6-trimethylphenyl)acetamide.
What is the SMILES notation for 2-[2-(2-methoxyphenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanyl-N-(2,4,6-trimethylphenyl)acetamide?
The canonical SMILES for 2-[2-(2-methoxyphenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanyl-N-(2,4,6-trimethylphenyl)acetamide is COc1ccccc1-c1cc2c(SCC(=O)Nc3c(C)cc(C)cc3C)nccn2n1.
What is the InChIKey of 2-[2-(2-methoxyphenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanyl-N-(2,4,6-trimethylphenyl)acetamide?
The InChIKey is SBGGFZDCOHIMCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O2S/c1-15-11-16(2)23(17(3)12-15)26-22(29)14-31-24-20-13-19(27-28(20)10-9-25-24)18-7-5-6-8-21(18)30-4/h5-13H,14H2,1-4H3,(H,26,29).
What are the key properties of 2-[2-(2-methoxyphenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanyl-N-(2,4,6-trimethylphenyl)acetamide?
2-[2-(2-methoxyphenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanyl-N-(2,4,6-trimethylphenyl)acetamide has a molecular weight of 432.55 g/mol, XLogP of 5.06, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methoxyphenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanyl-N-(2,4,6-trimethylphenyl)acetamide is sourced from PubChem (CID 27372459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).