3-methylsulfanyl-1-phenyl-6-(piperidin-4-ylmethoxy)indazole

C20H23N3OS — CID 56680273

IUPAC3-methylsulfanyl-1-phenyl-6-(piperidin-4-ylmethoxy)indazole
SMILESCSc1nn(-c2ccccc2)c2cc(OCC3CCNCC3)ccc12
InChIInChI=1S/C20H23N3OS/c1-25-20-18-8-7-17(24-14-15-9-11-21-12-10-15)13-19(18)23(22-20)16-5-3-2-4-6-16/h2-8,13,15,21H,9-12,14H2,1H3
InChIKeyBPOPTLDGNGXRCF-UHFFFAOYSA-N
MW353.49 g/mol
LogP4.13
Rot. Bonds5

About 3-methylsulfanyl-1-phenyl-6-(piperidin-4-ylmethoxy)indazole

3-methylsulfanyl-1-phenyl-6-(piperidin-4-ylmethoxy)indazole (PubChem CID 56680273) has the molecular formula C20H23N3OS and a molecular weight of 353.49 g/mol. Its IUPAC name is 3-methylsulfanyl-1-phenyl-6-(piperidin-4-ylmethoxy)indazole.

Molecular Properties

Compound Name3-methylsulfanyl-1-phenyl-6-(piperidin-4-ylmethoxy)indazole
PubChem CID56680273
Molecular FormulaC20H23N3OS
Molecular Weight353.49 g/mol
Exact Mass353.16
IUPAC Name3-methylsulfanyl-1-phenyl-6-(piperidin-4-ylmethoxy)indazole
SMILESCSc1nn(-c2ccccc2)c2cc(OCC3CCNCC3)ccc12
InChIInChI=1S/C20H23N3OS/c1-25-20-18-8-7-17(24-14-15-9-11-21-12-10-15)13-19(18)23(22-20)16-5-3-2-4-6-16/h2-8,13,15,21H,9-12,14H2,1H3
InChIKeyBPOPTLDGNGXRCF-UHFFFAOYSA-N
XLogP4.13
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.49
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-methylsulfanyl-1-phenyl-6-(piperidin-4-ylmethoxy)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 3-methylsulfanyl-1-phenyl-6-(piperidin-4-ylmethoxy)indazole?
The IUPAC name of 3-methylsulfanyl-1-phenyl-6-(piperidin-4-ylmethoxy)indazole (CID 56680273) is 3-methylsulfanyl-1-phenyl-6-(piperidin-4-ylmethoxy)indazole.
What is the SMILES notation for 3-methylsulfanyl-1-phenyl-6-(piperidin-4-ylmethoxy)indazole?
The canonical SMILES for 3-methylsulfanyl-1-phenyl-6-(piperidin-4-ylmethoxy)indazole is CSc1nn(-c2ccccc2)c2cc(OCC3CCNCC3)ccc12.
What is the InChIKey of 3-methylsulfanyl-1-phenyl-6-(piperidin-4-ylmethoxy)indazole?
The InChIKey is BPOPTLDGNGXRCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3OS/c1-25-20-18-8-7-17(24-14-15-9-11-21-12-10-15)13-19(18)23(22-20)16-5-3-2-4-6-16/h2-8,13,15,21H,9-12,14H2,1H3.
What are the key properties of 3-methylsulfanyl-1-phenyl-6-(piperidin-4-ylmethoxy)indazole?
3-methylsulfanyl-1-phenyl-6-(piperidin-4-ylmethoxy)indazole has a molecular weight of 353.49 g/mol, XLogP of 4.13, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylsulfanyl-1-phenyl-6-(piperidin-4-ylmethoxy)indazole is sourced from PubChem (CID 56680273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).