2-[2-(3,4-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanyl-N-[(3-methoxyphenyl)methyl]acetamide

C24H24N4O2S — CID 53334188

IUPAC2-[2-(3,4-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanyl-N-[(3-methoxyphenyl)methyl]acetamide
SMILESCOc1cccc(CNC(=O)CSc2nccn3nc(-c4ccc(C)c(C)c4)cc23)c1
InChIInChI=1S/C24H24N4O2S/c1-16-7-8-19(11-17(16)2)21-13-22-24(25-9-10-28(22)27-21)31-15-23(29)26-14-18-5-4-6-20(12-18)30-3/h4-13H,14-15H2,1-3H3,(H,26,29)
InChIKeyQPQFYHQJWIQBCA-UHFFFAOYSA-N
MW432.55 g/mol
LogP4.43
Rot. Bonds7

About 2-[2-(3,4-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanyl-N-[(3-methoxyphenyl)methyl]acetamide

2-[2-(3,4-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanyl-N-[(3-methoxyphenyl)methyl]acetamide (PubChem CID 53334188) has the molecular formula C24H24N4O2S and a molecular weight of 432.55 g/mol. Its IUPAC name is 2-[2-(3,4-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanyl-N-[(3-methoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[2-(3,4-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanyl-N-[(3-methoxyphenyl)methyl]acetamide
PubChem CID53334188
Molecular FormulaC24H24N4O2S
Molecular Weight432.55 g/mol
Exact Mass432.16
IUPAC Name2-[2-(3,4-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanyl-N-[(3-methoxyphenyl)methyl]acetamide
SMILESCOc1cccc(CNC(=O)CSc2nccn3nc(-c4ccc(C)c(C)c4)cc23)c1
InChIInChI=1S/C24H24N4O2S/c1-16-7-8-19(11-17(16)2)21-13-22-24(25-9-10-28(22)27-21)31-15-23(29)26-14-18-5-4-6-20(12-18)30-3/h4-13H,14-15H2,1-3H3,(H,26,29)
InChIKeyQPQFYHQJWIQBCA-UHFFFAOYSA-N
XLogP4.43
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.55
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[2-(3,4-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanyl-N-[(3-methoxyphenyl)methyl]acetamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[(3-methoxyphenyl)methyl]-2-[2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanylacetamide
CID 27443662
2-[2-(3,4-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanyl-N-(2-phenylethyl)acetamide
CID 71825008
2-[2-(3,4-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanyl-N-[(4-fluorophenyl)methyl]acetamide
CID 53334179
2-[2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanyl-N-[(4-methylphenyl)methyl]acetamide
CID 27371669
2-[2-(3,4-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanyl-N-(3,4,5-trimethoxyphenyl)acetamide
CID 53334207
N-(3-methoxyphenyl)-2-[2-(4-methylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanylacetamide
CID 27509399
2-[2-(3,4-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanyl-N-(3-methylphenyl)acetamide
CID 53334154
N-[(2-chloro-4-fluorophenyl)methyl]-2-[2-(3,4-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanylacetamide
CID 71824999
N-(3-methoxyphenyl)-2-(2-phenylpyrazolo[1,5-a]pyrazin-4-yl)sulfanylacetamide
CID 27444905
2-[2-(4-ethoxyphenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanyl-N-(2-phenylethyl)acetamide
CID 71824995
2-[2-(3,4-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanyl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 53334130
2-[3-(3,4-dimethylphenyl)-6-oxopyridazin-1-yl]-N-[(3-methoxyphenyl)methyl]acetamide
CID 7666380

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,4-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanyl-N-[(3-methoxyphenyl)methyl]acetamide?
The IUPAC name of 2-[2-(3,4-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanyl-N-[(3-methoxyphenyl)methyl]acetamide (CID 53334188) is 2-[2-(3,4-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanyl-N-[(3-methoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-[2-(3,4-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanyl-N-[(3-methoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-[2-(3,4-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanyl-N-[(3-methoxyphenyl)methyl]acetamide is COc1cccc(CNC(=O)CSc2nccn3nc(-c4ccc(C)c(C)c4)cc23)c1.
What is the InChIKey of 2-[2-(3,4-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanyl-N-[(3-methoxyphenyl)methyl]acetamide?
The InChIKey is QPQFYHQJWIQBCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O2S/c1-16-7-8-19(11-17(16)2)21-13-22-24(25-9-10-28(22)27-21)31-15-23(29)26-14-18-5-4-6-20(12-18)30-3/h4-13H,14-15H2,1-3H3,(H,26,29).
What are the key properties of 2-[2-(3,4-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanyl-N-[(3-methoxyphenyl)methyl]acetamide?
2-[2-(3,4-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanyl-N-[(3-methoxyphenyl)methyl]acetamide has a molecular weight of 432.55 g/mol, XLogP of 4.43, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,4-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanyl-N-[(3-methoxyphenyl)methyl]acetamide is sourced from PubChem (CID 53334188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).