3-ethyl-1-phenyl-6-(4-piperidin-4-yloxyphenyl)indazole

C26H27N3O — CID 58483621

IUPAC3-ethyl-1-phenyl-6-(4-piperidin-4-yloxyphenyl)indazole
SMILESCCc1nn(-c2ccccc2)c2cc(-c3ccc(OC4CCNCC4)cc3)ccc12
InChIInChI=1S/C26H27N3O/c1-2-25-24-13-10-20(18-26(24)29(28-25)21-6-4-3-5-7-21)19-8-11-22(12-9-19)30-23-14-16-27-17-15-23/h3-13,18,23,27H,2,14-17H2,1H3
InChIKeyQTDIEZBDCZQKLG-UHFFFAOYSA-N
MW397.52 g/mol
LogP5.39
Rot. Bonds5

About 3-ethyl-1-phenyl-6-(4-piperidin-4-yloxyphenyl)indazole

3-ethyl-1-phenyl-6-(4-piperidin-4-yloxyphenyl)indazole (PubChem CID 58483621) has the molecular formula C26H27N3O and a molecular weight of 397.52 g/mol. Its IUPAC name is 3-ethyl-1-phenyl-6-(4-piperidin-4-yloxyphenyl)indazole.

Molecular Properties

Compound Name3-ethyl-1-phenyl-6-(4-piperidin-4-yloxyphenyl)indazole
PubChem CID58483621
Molecular FormulaC26H27N3O
Molecular Weight397.52 g/mol
Exact Mass397.22
IUPAC Name3-ethyl-1-phenyl-6-(4-piperidin-4-yloxyphenyl)indazole
SMILESCCc1nn(-c2ccccc2)c2cc(-c3ccc(OC4CCNCC4)cc3)ccc12
InChIInChI=1S/C26H27N3O/c1-2-25-24-13-10-20(18-26(24)29(28-25)21-6-4-3-5-7-21)19-8-11-22(12-9-19)30-23-14-16-27-17-15-23/h3-13,18,23,27H,2,14-17H2,1H3
InChIKeyQTDIEZBDCZQKLG-UHFFFAOYSA-N
XLogP5.39
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.52
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-ethyl-1-phenyl-6-(4-piperidin-4-yloxyphenyl)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-ethyl-1-phenyl-6-(4-piperidin-4-yloxyphenyl)indazole?
The IUPAC name of 3-ethyl-1-phenyl-6-(4-piperidin-4-yloxyphenyl)indazole (CID 58483621) is 3-ethyl-1-phenyl-6-(4-piperidin-4-yloxyphenyl)indazole.
What is the SMILES notation for 3-ethyl-1-phenyl-6-(4-piperidin-4-yloxyphenyl)indazole?
The canonical SMILES for 3-ethyl-1-phenyl-6-(4-piperidin-4-yloxyphenyl)indazole is CCc1nn(-c2ccccc2)c2cc(-c3ccc(OC4CCNCC4)cc3)ccc12.
What is the InChIKey of 3-ethyl-1-phenyl-6-(4-piperidin-4-yloxyphenyl)indazole?
The InChIKey is QTDIEZBDCZQKLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O/c1-2-25-24-13-10-20(18-26(24)29(28-25)21-6-4-3-5-7-21)19-8-11-22(12-9-19)30-23-14-16-27-17-15-23/h3-13,18,23,27H,2,14-17H2,1H3.
What are the key properties of 3-ethyl-1-phenyl-6-(4-piperidin-4-yloxyphenyl)indazole?
3-ethyl-1-phenyl-6-(4-piperidin-4-yloxyphenyl)indazole has a molecular weight of 397.52 g/mol, XLogP of 5.39, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-phenyl-6-(4-piperidin-4-yloxyphenyl)indazole is sourced from PubChem (CID 58483621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).