5-(3-fluorophenyl)-3-[1-(2-pyrrolidin-1-ylethylsulfonyl)piperidin-4-yl]-2H-indazole

C24H29FN4O2S — CID 141134428

IUPAC5-(3-fluorophenyl)-3-[1-(2-pyrrolidin-1-ylethylsulfonyl)piperidin-4-yl]-2H-indazole
SMILESO=S(=O)(CCN1CCCC1)N1CCC(c2[nH]nc3ccc(-c4cccc(F)c4)cc23)CC1
InChIInChI=1S/C24H29FN4O2S/c25-21-5-3-4-19(16-21)20-6-7-23-22(17-20)24(27-26-23)18-8-12-29(13-9-18)32(30,31)15-14-28-10-1-2-11-28/h3-7,16-18H,1-2,8-15H2,(H,26,27)
InChIKeyONORAASUENFVNU-UHFFFAOYSA-N
MW456.59 g/mol
LogP3.97
Rot. Bonds6

About 5-(3-fluorophenyl)-3-[1-(2-pyrrolidin-1-ylethylsulfonyl)piperidin-4-yl]-2H-indazole

5-(3-fluorophenyl)-3-[1-(2-pyrrolidin-1-ylethylsulfonyl)piperidin-4-yl]-2H-indazole (PubChem CID 141134428) has the molecular formula C24H29FN4O2S and a molecular weight of 456.59 g/mol. Its IUPAC name is 5-(3-fluorophenyl)-3-[1-(2-pyrrolidin-1-ylethylsulfonyl)piperidin-4-yl]-2H-indazole.

Molecular Properties

Compound Name5-(3-fluorophenyl)-3-[1-(2-pyrrolidin-1-ylethylsulfonyl)piperidin-4-yl]-2H-indazole
PubChem CID141134428
Molecular FormulaC24H29FN4O2S
Molecular Weight456.59 g/mol
Exact Mass456.20
IUPAC Name5-(3-fluorophenyl)-3-[1-(2-pyrrolidin-1-ylethylsulfonyl)piperidin-4-yl]-2H-indazole
SMILESO=S(=O)(CCN1CCCC1)N1CCC(c2[nH]nc3ccc(-c4cccc(F)c4)cc23)CC1
InChIInChI=1S/C24H29FN4O2S/c25-21-5-3-4-19(16-21)20-6-7-23-22(17-20)24(27-26-23)18-8-12-29(13-9-18)32(30,31)15-14-28-10-1-2-11-28/h3-7,16-18H,1-2,8-15H2,(H,26,27)
InChIKeyONORAASUENFVNU-UHFFFAOYSA-N
XLogP3.97
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.59
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-(3-fluorophenyl)-3-[1-(2-pyrrolidin-1-ylethylsulfonyl)piperidin-4-yl]-2H-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 5-(3-fluorophenyl)-3-[1-(2-pyrrolidin-1-ylethylsulfonyl)piperidin-4-yl]-2H-indazole?
The IUPAC name of 5-(3-fluorophenyl)-3-[1-(2-pyrrolidin-1-ylethylsulfonyl)piperidin-4-yl]-2H-indazole (CID 141134428) is 5-(3-fluorophenyl)-3-[1-(2-pyrrolidin-1-ylethylsulfonyl)piperidin-4-yl]-2H-indazole.
What is the SMILES notation for 5-(3-fluorophenyl)-3-[1-(2-pyrrolidin-1-ylethylsulfonyl)piperidin-4-yl]-2H-indazole?
The canonical SMILES for 5-(3-fluorophenyl)-3-[1-(2-pyrrolidin-1-ylethylsulfonyl)piperidin-4-yl]-2H-indazole is O=S(=O)(CCN1CCCC1)N1CCC(c2[nH]nc3ccc(-c4cccc(F)c4)cc23)CC1.
What is the InChIKey of 5-(3-fluorophenyl)-3-[1-(2-pyrrolidin-1-ylethylsulfonyl)piperidin-4-yl]-2H-indazole?
The InChIKey is ONORAASUENFVNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29FN4O2S/c25-21-5-3-4-19(16-21)20-6-7-23-22(17-20)24(27-26-23)18-8-12-29(13-9-18)32(30,31)15-14-28-10-1-2-11-28/h3-7,16-18H,1-2,8-15H2,(H,26,27).
What are the key properties of 5-(3-fluorophenyl)-3-[1-(2-pyrrolidin-1-ylethylsulfonyl)piperidin-4-yl]-2H-indazole?
5-(3-fluorophenyl)-3-[1-(2-pyrrolidin-1-ylethylsulfonyl)piperidin-4-yl]-2H-indazole has a molecular weight of 456.59 g/mol, XLogP of 3.97, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluorophenyl)-3-[1-(2-pyrrolidin-1-ylethylsulfonyl)piperidin-4-yl]-2H-indazole is sourced from PubChem (CID 141134428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).