4-[[2-(2,4-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanylmethyl]-5-methyl-2-(4-methylphenyl)-1,3-oxazole

C26H24N4OS — CID 45498771

IUPAC4-[[2-(2,4-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanylmethyl]-5-methyl-2-(4-methylphenyl)-1,3-oxazole
SMILESCc1ccc(-c2nc(CSc3nccn4nc(-c5ccc(C)cc5C)cc34)c(C)o2)cc1
InChIInChI=1S/C26H24N4OS/c1-16-5-8-20(9-6-16)25-28-23(19(4)31-25)15-32-26-24-14-22(29-30(24)12-11-27-26)21-10-7-17(2)13-18(21)3/h5-14H,15H2,1-4H3
InChIKeyGTMSRCDHYLZPRP-UHFFFAOYSA-N
MW440.57 g/mol
LogP6.58
Rot. Bonds5

About 4-[[2-(2,4-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanylmethyl]-5-methyl-2-(4-methylphenyl)-1,3-oxazole

4-[[2-(2,4-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanylmethyl]-5-methyl-2-(4-methylphenyl)-1,3-oxazole (PubChem CID 45498771) has the molecular formula C26H24N4OS and a molecular weight of 440.57 g/mol. Its IUPAC name is 4-[[2-(2,4-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanylmethyl]-5-methyl-2-(4-methylphenyl)-1,3-oxazole.

Molecular Properties

Compound Name4-[[2-(2,4-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanylmethyl]-5-methyl-2-(4-methylphenyl)-1,3-oxazole
PubChem CID45498771
Molecular FormulaC26H24N4OS
Molecular Weight440.57 g/mol
Exact Mass440.17
IUPAC Name4-[[2-(2,4-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanylmethyl]-5-methyl-2-(4-methylphenyl)-1,3-oxazole
SMILESCc1ccc(-c2nc(CSc3nccn4nc(-c5ccc(C)cc5C)cc34)c(C)o2)cc1
InChIInChI=1S/C26H24N4OS/c1-16-5-8-20(9-6-16)25-28-23(19(4)31-25)15-32-26-24-14-22(29-30(24)12-11-27-26)21-10-7-17(2)13-18(21)3/h5-14H,15H2,1-4H3
InChIKeyGTMSRCDHYLZPRP-UHFFFAOYSA-N
XLogP6.58
TPSA56.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.57
LogP ≤ 56.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 95919305
4-benzylsulfanyl-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrazine
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4-ethylsulfanyl-2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazine
CID 50772078
[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methanamine
CID 46344053
4,6-dimethyl-2-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]pyridine-3-carbonitrile
CID 16588636
2-[2-(3,4-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanyl-N-(3-methylphenyl)acetamide
CID 53334154
2-[2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanyl-N-[(4-methylphenyl)methyl]acetamide
CID 27371669
N-(furan-2-ylmethyl)-2-[2-(4-methylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanylacetamide
CID 27509333
2-(3,4-dimethylphenyl)-4-propan-2-ylsulfanylpyrazolo[1,5-a]pyrazine
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Frequently Asked Questions

What is the IUPAC name of 4-[[2-(2,4-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanylmethyl]-5-methyl-2-(4-methylphenyl)-1,3-oxazole?
The IUPAC name of 4-[[2-(2,4-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanylmethyl]-5-methyl-2-(4-methylphenyl)-1,3-oxazole (CID 45498771) is 4-[[2-(2,4-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanylmethyl]-5-methyl-2-(4-methylphenyl)-1,3-oxazole.
What is the SMILES notation for 4-[[2-(2,4-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanylmethyl]-5-methyl-2-(4-methylphenyl)-1,3-oxazole?
The canonical SMILES for 4-[[2-(2,4-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanylmethyl]-5-methyl-2-(4-methylphenyl)-1,3-oxazole is Cc1ccc(-c2nc(CSc3nccn4nc(-c5ccc(C)cc5C)cc34)c(C)o2)cc1.
What is the InChIKey of 4-[[2-(2,4-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanylmethyl]-5-methyl-2-(4-methylphenyl)-1,3-oxazole?
The InChIKey is GTMSRCDHYLZPRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4OS/c1-16-5-8-20(9-6-16)25-28-23(19(4)31-25)15-32-26-24-14-22(29-30(24)12-11-27-26)21-10-7-17(2)13-18(21)3/h5-14H,15H2,1-4H3.
What are the key properties of 4-[[2-(2,4-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanylmethyl]-5-methyl-2-(4-methylphenyl)-1,3-oxazole?
4-[[2-(2,4-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanylmethyl]-5-methyl-2-(4-methylphenyl)-1,3-oxazole has a molecular weight of 440.57 g/mol, XLogP of 6.58, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(2,4-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanylmethyl]-5-methyl-2-(4-methylphenyl)-1,3-oxazole is sourced from PubChem (CID 45498771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).