1-(4-fluorophenyl)-6-methyl-5-(1-methylsulfonylpiperidin-4-yl)indazole

C20H22FN3O2S — CID 167337320

IUPAC1-(4-fluorophenyl)-6-methyl-5-(1-methylsulfonylpiperidin-4-yl)indazole
SMILESCc1cc2c(cnn2-c2ccc(F)cc2)cc1C1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C20H22FN3O2S/c1-14-11-20-16(13-22-24(20)18-5-3-17(21)4-6-18)12-19(14)15-7-9-23(10-8-15)27(2,25)26/h3-6,11-13,15H,7-10H2,1-2H3
InChIKeyAGMSXWGWZDZDDP-UHFFFAOYSA-N
MW387.48 g/mol
LogP3.61
Rot. Bonds3

About 1-(4-fluorophenyl)-6-methyl-5-(1-methylsulfonylpiperidin-4-yl)indazole

1-(4-fluorophenyl)-6-methyl-5-(1-methylsulfonylpiperidin-4-yl)indazole (PubChem CID 167337320) has the molecular formula C20H22FN3O2S and a molecular weight of 387.48 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-6-methyl-5-(1-methylsulfonylpiperidin-4-yl)indazole.

Molecular Properties

Compound Name1-(4-fluorophenyl)-6-methyl-5-(1-methylsulfonylpiperidin-4-yl)indazole
PubChem CID167337320
Molecular FormulaC20H22FN3O2S
Molecular Weight387.48 g/mol
Exact Mass387.14
IUPAC Name1-(4-fluorophenyl)-6-methyl-5-(1-methylsulfonylpiperidin-4-yl)indazole
SMILESCc1cc2c(cnn2-c2ccc(F)cc2)cc1C1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C20H22FN3O2S/c1-14-11-20-16(13-22-24(20)18-5-3-17(21)4-6-18)12-19(14)15-7-9-23(10-8-15)27(2,25)26/h3-6,11-13,15H,7-10H2,1-2H3
InChIKeyAGMSXWGWZDZDDP-UHFFFAOYSA-N
XLogP3.61
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-6-methyl-5-(1-methylsulfonylpiperidin-4-yl)indazole?
The IUPAC name of 1-(4-fluorophenyl)-6-methyl-5-(1-methylsulfonylpiperidin-4-yl)indazole (CID 167337320) is 1-(4-fluorophenyl)-6-methyl-5-(1-methylsulfonylpiperidin-4-yl)indazole.
What is the SMILES notation for 1-(4-fluorophenyl)-6-methyl-5-(1-methylsulfonylpiperidin-4-yl)indazole?
The canonical SMILES for 1-(4-fluorophenyl)-6-methyl-5-(1-methylsulfonylpiperidin-4-yl)indazole is Cc1cc2c(cnn2-c2ccc(F)cc2)cc1C1CCN(S(C)(=O)=O)CC1.
What is the InChIKey of 1-(4-fluorophenyl)-6-methyl-5-(1-methylsulfonylpiperidin-4-yl)indazole?
The InChIKey is AGMSXWGWZDZDDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN3O2S/c1-14-11-20-16(13-22-24(20)18-5-3-17(21)4-6-18)12-19(14)15-7-9-23(10-8-15)27(2,25)26/h3-6,11-13,15H,7-10H2,1-2H3.
What are the key properties of 1-(4-fluorophenyl)-6-methyl-5-(1-methylsulfonylpiperidin-4-yl)indazole?
1-(4-fluorophenyl)-6-methyl-5-(1-methylsulfonylpiperidin-4-yl)indazole has a molecular weight of 387.48 g/mol, XLogP of 3.61, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-6-methyl-5-(1-methylsulfonylpiperidin-4-yl)indazole is sourced from PubChem (CID 167337320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).