4-[4-(1-methyl-2-propan-2-ylimidazol-4-yl)sulfonylpiperazin-1-yl]-6-pyrazol-1-ylpyrimidine

C18H24N8O2S — CID 122337413

IUPAC4-[4-(1-methyl-2-propan-2-ylimidazol-4-yl)sulfonylpiperazin-1-yl]-6-pyrazol-1-ylpyrimidine
SMILESCC(C)c1nc(S(=O)(=O)N2CCN(c3cc(-n4cccn4)ncn3)CC2)cn1C
InChIInChI=1S/C18H24N8O2S/c1-14(2)18-22-17(12-23(18)3)29(27,28)25-9-7-24(8-10-25)15-11-16(20-13-19-15)26-6-4-5-21-26/h4-6,11-14H,7-10H2,1-3H3
InChIKeyYLTCKXVCDKLWDB-UHFFFAOYSA-N
MW416.51 g/mol
LogP1.03
Rot. Bonds5

About 4-[4-(1-methyl-2-propan-2-ylimidazol-4-yl)sulfonylpiperazin-1-yl]-6-pyrazol-1-ylpyrimidine

4-[4-(1-methyl-2-propan-2-ylimidazol-4-yl)sulfonylpiperazin-1-yl]-6-pyrazol-1-ylpyrimidine (PubChem CID 122337413) has the molecular formula C18H24N8O2S and a molecular weight of 416.51 g/mol. Its IUPAC name is 4-[4-(1-methyl-2-propan-2-ylimidazol-4-yl)sulfonylpiperazin-1-yl]-6-pyrazol-1-ylpyrimidine.

Molecular Properties

Compound Name4-[4-(1-methyl-2-propan-2-ylimidazol-4-yl)sulfonylpiperazin-1-yl]-6-pyrazol-1-ylpyrimidine
PubChem CID122337413
Molecular FormulaC18H24N8O2S
Molecular Weight416.51 g/mol
Exact Mass416.17
IUPAC Name4-[4-(1-methyl-2-propan-2-ylimidazol-4-yl)sulfonylpiperazin-1-yl]-6-pyrazol-1-ylpyrimidine
SMILESCC(C)c1nc(S(=O)(=O)N2CCN(c3cc(-n4cccn4)ncn3)CC2)cn1C
InChIInChI=1S/C18H24N8O2S/c1-14(2)18-22-17(12-23(18)3)29(27,28)25-9-7-24(8-10-25)15-11-16(20-13-19-15)26-6-4-5-21-26/h4-6,11-14H,7-10H2,1-3H3
InChIKeyYLTCKXVCDKLWDB-UHFFFAOYSA-N
XLogP1.03
TPSA102.04 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.51
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

2-methyl-4-[4-(1-methyl-2-propan-2-ylimidazol-4-yl)sulfonylpiperazin-1-yl]-6-pyrazol-1-ylpyrimidine
CID 122337910
3-(4-methylpiperazin-1-yl)-6-[4-(1-methyl-2-propan-2-ylimidazol-4-yl)sulfonylpiperazin-1-yl]pyridazine
CID 122336564
5-(1-methyl-2-propan-2-ylimidazol-4-yl)sulfonyl-2-(6-methylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 126931683
4-[4-(1,2-dimethylimidazol-4-yl)sulfonylpiperazin-1-yl]-6-(2-methylimidazol-1-yl)pyrimidine
CID 122338905
4-[4-(3-chloro-4-methylphenyl)sulfonylpiperazin-1-yl]-6-pyrazol-1-ylpyrimidine
CID 122337415
4-[4-(4-methyl-3,5-dinitrophenyl)sulfonylpiperazin-1-yl]-6-pyrazol-1-ylpyrimidine
CID 121072515
4-[4-(1,2-dimethylimidazol-4-yl)sulfonylpiperazin-1-yl]-6-imidazol-1-ylpyrimidine
CID 122338404
4-[4-(5-ethylthiophen-2-yl)sulfonylpiperazin-1-yl]-6-pyrazol-1-ylpyrimidine
CID 122337353
4-pyrazol-1-yl-6-[4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]pyrimidine
CID 121072473
1-[1-(1-methyl-2-propan-2-ylimidazol-4-yl)sulfonylazetidin-3-yl]-4-pyridin-2-ylpiperazine
CID 126893366
1-methyl-3-[4-(6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]pyrazin-2-one
CID 154829998
4-(3-methylpyrazol-1-yl)-6-[4-(1-propan-2-ylimidazol-4-yl)sulfonylpiperazin-1-yl]pyrimidine
CID 122344938

Frequently Asked Questions

What is the IUPAC name of 4-[4-(1-methyl-2-propan-2-ylimidazol-4-yl)sulfonylpiperazin-1-yl]-6-pyrazol-1-ylpyrimidine?
The IUPAC name of 4-[4-(1-methyl-2-propan-2-ylimidazol-4-yl)sulfonylpiperazin-1-yl]-6-pyrazol-1-ylpyrimidine (CID 122337413) is 4-[4-(1-methyl-2-propan-2-ylimidazol-4-yl)sulfonylpiperazin-1-yl]-6-pyrazol-1-ylpyrimidine.
What is the SMILES notation for 4-[4-(1-methyl-2-propan-2-ylimidazol-4-yl)sulfonylpiperazin-1-yl]-6-pyrazol-1-ylpyrimidine?
The canonical SMILES for 4-[4-(1-methyl-2-propan-2-ylimidazol-4-yl)sulfonylpiperazin-1-yl]-6-pyrazol-1-ylpyrimidine is CC(C)c1nc(S(=O)(=O)N2CCN(c3cc(-n4cccn4)ncn3)CC2)cn1C.
What is the InChIKey of 4-[4-(1-methyl-2-propan-2-ylimidazol-4-yl)sulfonylpiperazin-1-yl]-6-pyrazol-1-ylpyrimidine?
The InChIKey is YLTCKXVCDKLWDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N8O2S/c1-14(2)18-22-17(12-23(18)3)29(27,28)25-9-7-24(8-10-25)15-11-16(20-13-19-15)26-6-4-5-21-26/h4-6,11-14H,7-10H2,1-3H3.
What are the key properties of 4-[4-(1-methyl-2-propan-2-ylimidazol-4-yl)sulfonylpiperazin-1-yl]-6-pyrazol-1-ylpyrimidine?
4-[4-(1-methyl-2-propan-2-ylimidazol-4-yl)sulfonylpiperazin-1-yl]-6-pyrazol-1-ylpyrimidine has a molecular weight of 416.51 g/mol, XLogP of 1.03, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(1-methyl-2-propan-2-ylimidazol-4-yl)sulfonylpiperazin-1-yl]-6-pyrazol-1-ylpyrimidine is sourced from PubChem (CID 122337413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).