2-(3,5-dimethylpyrazol-1-yl)-3-[4-(4-fluoro-3-methylphenyl)sulfonylpiperazin-1-yl]quinoxaline

C24H25FN6O2S — CID 2230330

IUPAC2-(3,5-dimethylpyrazol-1-yl)-3-[4-(4-fluoro-3-methylphenyl)sulfonylpiperazin-1-yl]quinoxaline
SMILESCc1cc(C)n(-c2nc3ccccc3nc2N2CCN(S(=O)(=O)c3ccc(F)c(C)c3)CC2)n1
InChIInChI=1S/C24H25FN6O2S/c1-16-14-19(8-9-20(16)25)34(32,33)30-12-10-29(11-13-30)23-24(31-18(3)15-17(2)28-31)27-22-7-5-4-6-21(22)26-23/h4-9,14-15H,10-13H2,1-3H3
InChIKeyUSLQQKHVMNTWAC-UHFFFAOYSA-N
MW480.57 g/mol
LogP3.39
Rot. Bonds4

About 2-(3,5-dimethylpyrazol-1-yl)-3-[4-(4-fluoro-3-methylphenyl)sulfonylpiperazin-1-yl]quinoxaline

2-(3,5-dimethylpyrazol-1-yl)-3-[4-(4-fluoro-3-methylphenyl)sulfonylpiperazin-1-yl]quinoxaline (PubChem CID 2230330) has the molecular formula C24H25FN6O2S and a molecular weight of 480.57 g/mol. Its IUPAC name is 2-(3,5-dimethylpyrazol-1-yl)-3-[4-(4-fluoro-3-methylphenyl)sulfonylpiperazin-1-yl]quinoxaline.

Molecular Properties

Compound Name2-(3,5-dimethylpyrazol-1-yl)-3-[4-(4-fluoro-3-methylphenyl)sulfonylpiperazin-1-yl]quinoxaline
PubChem CID2230330
Molecular FormulaC24H25FN6O2S
Molecular Weight480.57 g/mol
Exact Mass480.17
IUPAC Name2-(3,5-dimethylpyrazol-1-yl)-3-[4-(4-fluoro-3-methylphenyl)sulfonylpiperazin-1-yl]quinoxaline
SMILESCc1cc(C)n(-c2nc3ccccc3nc2N2CCN(S(=O)(=O)c3ccc(F)c(C)c3)CC2)n1
InChIInChI=1S/C24H25FN6O2S/c1-16-14-19(8-9-20(16)25)34(32,33)30-12-10-29(11-13-30)23-24(31-18(3)15-17(2)28-31)27-22-7-5-4-6-21(22)26-23/h4-9,14-15H,10-13H2,1-3H3
InChIKeyUSLQQKHVMNTWAC-UHFFFAOYSA-N
XLogP3.39
TPSA84.22 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.57
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-3-[4-(4-fluoro-3-methylphenyl)sulfonylpiperazin-1-yl]quinoxaline?
The IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-3-[4-(4-fluoro-3-methylphenyl)sulfonylpiperazin-1-yl]quinoxaline (CID 2230330) is 2-(3,5-dimethylpyrazol-1-yl)-3-[4-(4-fluoro-3-methylphenyl)sulfonylpiperazin-1-yl]quinoxaline.
What is the SMILES notation for 2-(3,5-dimethylpyrazol-1-yl)-3-[4-(4-fluoro-3-methylphenyl)sulfonylpiperazin-1-yl]quinoxaline?
The canonical SMILES for 2-(3,5-dimethylpyrazol-1-yl)-3-[4-(4-fluoro-3-methylphenyl)sulfonylpiperazin-1-yl]quinoxaline is Cc1cc(C)n(-c2nc3ccccc3nc2N2CCN(S(=O)(=O)c3ccc(F)c(C)c3)CC2)n1.
What is the InChIKey of 2-(3,5-dimethylpyrazol-1-yl)-3-[4-(4-fluoro-3-methylphenyl)sulfonylpiperazin-1-yl]quinoxaline?
The InChIKey is USLQQKHVMNTWAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN6O2S/c1-16-14-19(8-9-20(16)25)34(32,33)30-12-10-29(11-13-30)23-24(31-18(3)15-17(2)28-31)27-22-7-5-4-6-21(22)26-23/h4-9,14-15H,10-13H2,1-3H3.
What are the key properties of 2-(3,5-dimethylpyrazol-1-yl)-3-[4-(4-fluoro-3-methylphenyl)sulfonylpiperazin-1-yl]quinoxaline?
2-(3,5-dimethylpyrazol-1-yl)-3-[4-(4-fluoro-3-methylphenyl)sulfonylpiperazin-1-yl]quinoxaline has a molecular weight of 480.57 g/mol, XLogP of 3.39, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylpyrazol-1-yl)-3-[4-(4-fluoro-3-methylphenyl)sulfonylpiperazin-1-yl]quinoxaline is sourced from PubChem (CID 2230330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).