4-[4-[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]piperazin-1-yl]sulfonyl-1,2-oxazole

C17H21N7O3S — CID 122338151

IUPAC4-[4-[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]piperazin-1-yl]sulfonyl-1,2-oxazole
SMILESCc1cc(C)n(-c2cc(N3CCN(S(=O)(=O)c4cnoc4)CC3)nc(C)n2)n1
InChIInChI=1S/C17H21N7O3S/c1-12-8-13(2)24(21-12)17-9-16(19-14(3)20-17)22-4-6-23(7-5-22)28(25,26)15-10-18-27-11-15/h8-11H,4-7H2,1-3H3
InChIKeyQUKUMYSSFHNECS-UHFFFAOYSA-N
MW403.47 g/mol
LogP1.09
Rot. Bonds4

About 4-[4-[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]piperazin-1-yl]sulfonyl-1,2-oxazole

4-[4-[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]piperazin-1-yl]sulfonyl-1,2-oxazole (PubChem CID 122338151) has the molecular formula C17H21N7O3S and a molecular weight of 403.47 g/mol. Its IUPAC name is 4-[4-[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]piperazin-1-yl]sulfonyl-1,2-oxazole.

Molecular Properties

Compound Name4-[4-[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]piperazin-1-yl]sulfonyl-1,2-oxazole
PubChem CID122338151
Molecular FormulaC17H21N7O3S
Molecular Weight403.47 g/mol
Exact Mass403.14
IUPAC Name4-[4-[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]piperazin-1-yl]sulfonyl-1,2-oxazole
SMILESCc1cc(C)n(-c2cc(N3CCN(S(=O)(=O)c4cnoc4)CC3)nc(C)n2)n1
InChIInChI=1S/C17H21N7O3S/c1-12-8-13(2)24(21-12)17-9-16(19-14(3)20-17)22-4-6-23(7-5-22)28(25,26)15-10-18-27-11-15/h8-11H,4-7H2,1-3H3
InChIKeyQUKUMYSSFHNECS-UHFFFAOYSA-N
XLogP1.09
TPSA110.25 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.47
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

N-[4-[4-[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]piperazin-1-yl]sulfonylphenyl]acetamide
CID 121072447
4-(3,5-dimethylpyrazol-1-yl)-2-methyl-6-[4-(1-methylimidazol-4-yl)sulfonylpiperazin-1-yl]pyrimidine
CID 122338134
4-(3,5-dimethylpyrazol-1-yl)-2-methyl-6-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]pyrimidine
CID 121072535
4-(3,5-dimethylpyrazol-1-yl)-2-methyl-6-[4-(4-pyrazol-1-ylphenyl)sulfonylpiperazin-1-yl]pyrimidine
CID 122338163
4-[4-(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]sulfonyl-1,2-oxazole
CID 122339651
4-[4-(2,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidine
CID 121072462
4-(3,5-dimethylpyrazol-1-yl)-2-methyl-6-[4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]pyrimidine
CID 155976481
4-(3,5-dimethylpyrazol-1-yl)-2-methyl-6-[4-[(E)-2-(4-methylphenyl)ethenyl]sulfonylpiperazin-1-yl]pyrimidine
CID 122338122
4-(3,5-dimethylpyrazol-1-yl)-6-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]pyrimidine
CID 121072478
4-(3,5-dimethylpyrazol-1-yl)-2-methyl-6-(4-pyrazin-2-ylpiperazin-1-yl)pyrimidine
CID 154853730
4,6-bis(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidine
CID 102051125
4-(3,5-dimethylpyrazol-1-yl)-6-[4-(4-phenylphenyl)sulfonylpiperazin-1-yl]pyrimidine
CID 121072489

Frequently Asked Questions

What is the IUPAC name of 4-[4-[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]piperazin-1-yl]sulfonyl-1,2-oxazole?
The IUPAC name of 4-[4-[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]piperazin-1-yl]sulfonyl-1,2-oxazole (CID 122338151) is 4-[4-[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]piperazin-1-yl]sulfonyl-1,2-oxazole.
What is the SMILES notation for 4-[4-[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]piperazin-1-yl]sulfonyl-1,2-oxazole?
The canonical SMILES for 4-[4-[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]piperazin-1-yl]sulfonyl-1,2-oxazole is Cc1cc(C)n(-c2cc(N3CCN(S(=O)(=O)c4cnoc4)CC3)nc(C)n2)n1.
What is the InChIKey of 4-[4-[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]piperazin-1-yl]sulfonyl-1,2-oxazole?
The InChIKey is QUKUMYSSFHNECS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N7O3S/c1-12-8-13(2)24(21-12)17-9-16(19-14(3)20-17)22-4-6-23(7-5-22)28(25,26)15-10-18-27-11-15/h8-11H,4-7H2,1-3H3.
What are the key properties of 4-[4-[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]piperazin-1-yl]sulfonyl-1,2-oxazole?
4-[4-[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]piperazin-1-yl]sulfonyl-1,2-oxazole has a molecular weight of 403.47 g/mol, XLogP of 1.09, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]piperazin-1-yl]sulfonyl-1,2-oxazole is sourced from PubChem (CID 122338151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).