3-methylsulfanyl-1-phenyl-7-piperidin-4-yloxyindazole

C19H21N3OS — CID 56663310

IUPAC3-methylsulfanyl-1-phenyl-7-piperidin-4-yloxyindazole
SMILESCSc1nn(-c2ccccc2)c2c(OC3CCNCC3)cccc12
InChIInChI=1S/C19H21N3OS/c1-24-19-16-8-5-9-17(23-15-10-12-20-13-11-15)18(16)22(21-19)14-6-3-2-4-7-14/h2-9,15,20H,10-13H2,1H3
InChIKeyYKXVHUMIOCJOMZ-UHFFFAOYSA-N
MW339.46 g/mol
LogP3.88
Rot. Bonds4

About 3-methylsulfanyl-1-phenyl-7-piperidin-4-yloxyindazole

3-methylsulfanyl-1-phenyl-7-piperidin-4-yloxyindazole (PubChem CID 56663310) has the molecular formula C19H21N3OS and a molecular weight of 339.46 g/mol. Its IUPAC name is 3-methylsulfanyl-1-phenyl-7-piperidin-4-yloxyindazole.

Molecular Properties

Compound Name3-methylsulfanyl-1-phenyl-7-piperidin-4-yloxyindazole
PubChem CID56663310
Molecular FormulaC19H21N3OS
Molecular Weight339.46 g/mol
Exact Mass339.14
IUPAC Name3-methylsulfanyl-1-phenyl-7-piperidin-4-yloxyindazole
SMILESCSc1nn(-c2ccccc2)c2c(OC3CCNCC3)cccc12
InChIInChI=1S/C19H21N3OS/c1-24-19-16-8-5-9-17(23-15-10-12-20-13-11-15)18(16)22(21-19)14-6-3-2-4-7-14/h2-9,15,20H,10-13H2,1H3
InChIKeyYKXVHUMIOCJOMZ-UHFFFAOYSA-N
XLogP3.88
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-methylsulfanyl-1-phenyl-7-piperidin-4-yloxyindazole 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 3-methylsulfanyl-1-phenyl-7-piperidin-4-yloxyindazole?
The IUPAC name of 3-methylsulfanyl-1-phenyl-7-piperidin-4-yloxyindazole (CID 56663310) is 3-methylsulfanyl-1-phenyl-7-piperidin-4-yloxyindazole.
What is the SMILES notation for 3-methylsulfanyl-1-phenyl-7-piperidin-4-yloxyindazole?
The canonical SMILES for 3-methylsulfanyl-1-phenyl-7-piperidin-4-yloxyindazole is CSc1nn(-c2ccccc2)c2c(OC3CCNCC3)cccc12.
What is the InChIKey of 3-methylsulfanyl-1-phenyl-7-piperidin-4-yloxyindazole?
The InChIKey is YKXVHUMIOCJOMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3OS/c1-24-19-16-8-5-9-17(23-15-10-12-20-13-11-15)18(16)22(21-19)14-6-3-2-4-7-14/h2-9,15,20H,10-13H2,1H3.
What are the key properties of 3-methylsulfanyl-1-phenyl-7-piperidin-4-yloxyindazole?
3-methylsulfanyl-1-phenyl-7-piperidin-4-yloxyindazole has a molecular weight of 339.46 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylsulfanyl-1-phenyl-7-piperidin-4-yloxyindazole is sourced from PubChem (CID 56663310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).