5-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1-(4-fluorophenyl)indazole

C20H23FN4O2S — CID 166916158

IUPAC5-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1-(4-fluorophenyl)indazole
SMILESCC1(C)CN(c2ccc3c(cnn3-c3ccc(F)cc3)c2)CCN1S(C)(=O)=O
InChIInChI=1S/C20H23FN4O2S/c1-20(2)14-23(10-11-24(20)28(3,26)27)18-8-9-19-15(12-18)13-22-25(19)17-6-4-16(21)5-7-17/h4-9,12-13H,10-11,14H2,1-3H3
InChIKeyNSKCAPGVCOPNNM-UHFFFAOYSA-N
MW402.50 g/mol
LogP3.02
Rot. Bonds3

About 5-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1-(4-fluorophenyl)indazole

5-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1-(4-fluorophenyl)indazole (PubChem CID 166916158) has the molecular formula C20H23FN4O2S and a molecular weight of 402.50 g/mol. Its IUPAC name is 5-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1-(4-fluorophenyl)indazole.

Molecular Properties

Compound Name5-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1-(4-fluorophenyl)indazole
PubChem CID166916158
Molecular FormulaC20H23FN4O2S
Molecular Weight402.50 g/mol
Exact Mass402.15
IUPAC Name5-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1-(4-fluorophenyl)indazole
SMILESCC1(C)CN(c2ccc3c(cnn3-c3ccc(F)cc3)c2)CCN1S(C)(=O)=O
InChIInChI=1S/C20H23FN4O2S/c1-20(2)14-23(10-11-24(20)28(3,26)27)18-8-9-19-15(12-18)13-22-25(19)17-6-4-16(21)5-7-17/h4-9,12-13H,10-11,14H2,1-3H3
InChIKeyNSKCAPGVCOPNNM-UHFFFAOYSA-N
XLogP3.02
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.50
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1-(4-fluorophenyl)indazole?
The IUPAC name of 5-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1-(4-fluorophenyl)indazole (CID 166916158) is 5-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1-(4-fluorophenyl)indazole.
What is the SMILES notation for 5-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1-(4-fluorophenyl)indazole?
The canonical SMILES for 5-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1-(4-fluorophenyl)indazole is CC1(C)CN(c2ccc3c(cnn3-c3ccc(F)cc3)c2)CCN1S(C)(=O)=O.
What is the InChIKey of 5-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1-(4-fluorophenyl)indazole?
The InChIKey is NSKCAPGVCOPNNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN4O2S/c1-20(2)14-23(10-11-24(20)28(3,26)27)18-8-9-19-15(12-18)13-22-25(19)17-6-4-16(21)5-7-17/h4-9,12-13H,10-11,14H2,1-3H3.
What are the key properties of 5-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1-(4-fluorophenyl)indazole?
5-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1-(4-fluorophenyl)indazole has a molecular weight of 402.50 g/mol, XLogP of 3.02, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1-(4-fluorophenyl)indazole is sourced from PubChem (CID 166916158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).