1-(4-fluorophenyl)-5-[4-(1-methylpyrazol-4-yl)sulfonylpiperidin-1-yl]indazole

C22H22FN5O2S — CID 167337344

IUPAC1-(4-fluorophenyl)-5-[4-(1-methylpyrazol-4-yl)sulfonylpiperidin-1-yl]indazole
SMILESCn1cc(S(=O)(=O)C2CCN(c3ccc4c(cnn4-c4ccc(F)cc4)c3)CC2)cn1
InChIInChI=1S/C22H22FN5O2S/c1-26-15-21(14-24-26)31(29,30)20-8-10-27(11-9-20)19-6-7-22-16(12-19)13-25-28(22)18-4-2-17(23)3-5-18/h2-7,12-15,20H,8-11H2,1H3
InChIKeyPUWJGUNIDPXCRX-UHFFFAOYSA-N
MW439.52 g/mol
LogP3.34
Rot. Bonds4

About 1-(4-fluorophenyl)-5-[4-(1-methylpyrazol-4-yl)sulfonylpiperidin-1-yl]indazole

1-(4-fluorophenyl)-5-[4-(1-methylpyrazol-4-yl)sulfonylpiperidin-1-yl]indazole (PubChem CID 167337344) has the molecular formula C22H22FN5O2S and a molecular weight of 439.52 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-5-[4-(1-methylpyrazol-4-yl)sulfonylpiperidin-1-yl]indazole.

Molecular Properties

Compound Name1-(4-fluorophenyl)-5-[4-(1-methylpyrazol-4-yl)sulfonylpiperidin-1-yl]indazole
PubChem CID167337344
Molecular FormulaC22H22FN5O2S
Molecular Weight439.52 g/mol
Exact Mass439.15
IUPAC Name1-(4-fluorophenyl)-5-[4-(1-methylpyrazol-4-yl)sulfonylpiperidin-1-yl]indazole
SMILESCn1cc(S(=O)(=O)C2CCN(c3ccc4c(cnn4-c4ccc(F)cc4)c3)CC2)cn1
InChIInChI=1S/C22H22FN5O2S/c1-26-15-21(14-24-26)31(29,30)20-8-10-27(11-9-20)19-6-7-22-16(12-19)13-25-28(22)18-4-2-17(23)3-5-18/h2-7,12-15,20H,8-11H2,1H3
InChIKeyPUWJGUNIDPXCRX-UHFFFAOYSA-N
XLogP3.34
TPSA73.02 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.52
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-(4-fluorophenyl)-5-[4-(1-methylpyrazol-4-yl)sulfonylpiperidin-1-yl]indazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-5-[4-(1-methylpyrazol-4-yl)sulfonylpiperidin-1-yl]indazole?
The IUPAC name of 1-(4-fluorophenyl)-5-[4-(1-methylpyrazol-4-yl)sulfonylpiperidin-1-yl]indazole (CID 167337344) is 1-(4-fluorophenyl)-5-[4-(1-methylpyrazol-4-yl)sulfonylpiperidin-1-yl]indazole.
What is the SMILES notation for 1-(4-fluorophenyl)-5-[4-(1-methylpyrazol-4-yl)sulfonylpiperidin-1-yl]indazole?
The canonical SMILES for 1-(4-fluorophenyl)-5-[4-(1-methylpyrazol-4-yl)sulfonylpiperidin-1-yl]indazole is Cn1cc(S(=O)(=O)C2CCN(c3ccc4c(cnn4-c4ccc(F)cc4)c3)CC2)cn1.
What is the InChIKey of 1-(4-fluorophenyl)-5-[4-(1-methylpyrazol-4-yl)sulfonylpiperidin-1-yl]indazole?
The InChIKey is PUWJGUNIDPXCRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN5O2S/c1-26-15-21(14-24-26)31(29,30)20-8-10-27(11-9-20)19-6-7-22-16(12-19)13-25-28(22)18-4-2-17(23)3-5-18/h2-7,12-15,20H,8-11H2,1H3.
What are the key properties of 1-(4-fluorophenyl)-5-[4-(1-methylpyrazol-4-yl)sulfonylpiperidin-1-yl]indazole?
1-(4-fluorophenyl)-5-[4-(1-methylpyrazol-4-yl)sulfonylpiperidin-1-yl]indazole has a molecular weight of 439.52 g/mol, XLogP of 3.34, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-5-[4-(1-methylpyrazol-4-yl)sulfonylpiperidin-1-yl]indazole is sourced from PubChem (CID 167337344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).