4-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-6-(3-methylpyrazol-1-yl)pyrimidine

C18H18F2N6O2S — CID 56920406

IUPAC4-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-6-(3-methylpyrazol-1-yl)pyrimidine
SMILESCc1ccn(-c2cc(N3CCN(S(=O)(=O)c4ccc(F)cc4F)CC3)ncn2)n1
InChIInChI=1S/C18H18F2N6O2S/c1-13-4-5-26(23-13)18-11-17(21-12-22-18)24-6-8-25(9-7-24)29(27,28)16-3-2-14(19)10-15(16)20/h2-5,10-12H,6-9H2,1H3
InChIKeyFNXAMLBTVIRXNO-UHFFFAOYSA-N
MW420.45 g/mol
LogP1.76
Rot. Bonds4

About 4-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-6-(3-methylpyrazol-1-yl)pyrimidine

4-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-6-(3-methylpyrazol-1-yl)pyrimidine (PubChem CID 56920406) has the molecular formula C18H18F2N6O2S and a molecular weight of 420.45 g/mol. Its IUPAC name is 4-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-6-(3-methylpyrazol-1-yl)pyrimidine.

Molecular Properties

Compound Name4-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-6-(3-methylpyrazol-1-yl)pyrimidine
PubChem CID56920406
Molecular FormulaC18H18F2N6O2S
Molecular Weight420.45 g/mol
Exact Mass420.12
IUPAC Name4-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-6-(3-methylpyrazol-1-yl)pyrimidine
SMILESCc1ccn(-c2cc(N3CCN(S(=O)(=O)c4ccc(F)cc4F)CC3)ncn2)n1
InChIInChI=1S/C18H18F2N6O2S/c1-13-4-5-26(23-13)18-11-17(21-12-22-18)24-6-8-25(9-7-24)29(27,28)16-3-2-14(19)10-15(16)20/h2-5,10-12H,6-9H2,1H3
InChIKeyFNXAMLBTVIRXNO-UHFFFAOYSA-N
XLogP1.76
TPSA84.22 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.45
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-[4-(3-methylphenyl)sulfonylpiperazin-1-yl]-6-(3-methylpyrazol-1-yl)pyrimidine
CID 56920545
4-(3-methylpyrazol-1-yl)-6-[4-(1-propan-2-ylimidazol-4-yl)sulfonylpiperazin-1-yl]pyrimidine
CID 122344938
3-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-6-methylpyridazine
CID 50947962
4-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-6-(1,2,4-triazol-1-yl)pyrimidine
CID 90627011
4-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-2-methyl-6-(4-methylpiperazin-1-yl)pyrimidine
CID 56699842
4-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-6-methyl-2-pyrrolidin-1-ylpyrimidine
CID 50945548
4-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-6-(4-ethoxyphenyl)pyrimidine
CID 121107411
1-[3-[4-[6-(3-methylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]sulfonylphenyl]ethanone
CID 122344903
3-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-6-piperidin-1-ylpyridazine
CID 121053085
6-[4-[6-(3-methylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]sulfonyl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one
CID 122344939
1-(2,4-difluorophenyl)sulfonyl-4-pyridin-2-ylpiperazine
CID 3465215
6-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazine
CID 42111553

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-6-(3-methylpyrazol-1-yl)pyrimidine?
The IUPAC name of 4-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-6-(3-methylpyrazol-1-yl)pyrimidine (CID 56920406) is 4-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-6-(3-methylpyrazol-1-yl)pyrimidine.
What is the SMILES notation for 4-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-6-(3-methylpyrazol-1-yl)pyrimidine?
The canonical SMILES for 4-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-6-(3-methylpyrazol-1-yl)pyrimidine is Cc1ccn(-c2cc(N3CCN(S(=O)(=O)c4ccc(F)cc4F)CC3)ncn2)n1.
What is the InChIKey of 4-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-6-(3-methylpyrazol-1-yl)pyrimidine?
The InChIKey is FNXAMLBTVIRXNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F2N6O2S/c1-13-4-5-26(23-13)18-11-17(21-12-22-18)24-6-8-25(9-7-24)29(27,28)16-3-2-14(19)10-15(16)20/h2-5,10-12H,6-9H2,1H3.
What are the key properties of 4-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-6-(3-methylpyrazol-1-yl)pyrimidine?
4-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-6-(3-methylpyrazol-1-yl)pyrimidine has a molecular weight of 420.45 g/mol, XLogP of 1.76, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-6-(3-methylpyrazol-1-yl)pyrimidine is sourced from PubChem (CID 56920406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).