1-benzyl-5-methyl-3-(3-piperidin-1-ylpropoxy)indazole;hydrochloride

C23H30ClN3O — CID 162338049

IUPAC1-benzyl-5-methyl-3-(3-piperidin-1-ylpropoxy)indazole;hydrochloride
SMILESCc1ccc2c(c1)c(OCCCN1CCCCC1)nn2Cc1ccccc1.Cl
InChIInChI=1S/C23H29N3O.ClH/c1-19-11-12-22-21(17-19)23(24-26(22)18-20-9-4-2-5-10-20)27-16-8-15-25-13-6-3-7-14-25;/h2,4-5,9-12,17H,3,6-8,13-16,18H2,1H3;1H
InChIKeyNWEOQURKQAFBDB-UHFFFAOYSA-N
MW399.97 g/mol
LogP5.07
Rot. Bonds7

About 1-benzyl-5-methyl-3-(3-piperidin-1-ylpropoxy)indazole;hydrochloride

1-benzyl-5-methyl-3-(3-piperidin-1-ylpropoxy)indazole;hydrochloride (PubChem CID 162338049) has the molecular formula C23H30ClN3O and a molecular weight of 399.97 g/mol. Its IUPAC name is 1-benzyl-5-methyl-3-(3-piperidin-1-ylpropoxy)indazole;hydrochloride.

Molecular Properties

Compound Name1-benzyl-5-methyl-3-(3-piperidin-1-ylpropoxy)indazole;hydrochloride
PubChem CID162338049
Molecular FormulaC23H30ClN3O
Molecular Weight399.97 g/mol
Exact Mass399.21
IUPAC Name1-benzyl-5-methyl-3-(3-piperidin-1-ylpropoxy)indazole;hydrochloride
SMILESCc1ccc2c(c1)c(OCCCN1CCCCC1)nn2Cc1ccccc1.Cl
InChIInChI=1S/C23H29N3O.ClH/c1-19-11-12-22-21(17-19)23(24-26(22)18-20-9-4-2-5-10-20)27-16-8-15-25-13-6-3-7-14-25;/h2,4-5,9-12,17H,3,6-8,13-16,18H2,1H3;1H
InChIKeyNWEOQURKQAFBDB-UHFFFAOYSA-N
XLogP5.07
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.97
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-benzyl-5-methyl-3-(3-piperidin-1-ylpropoxy)indazole;hydrochloride 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-benzyl-5-methyl-3-(3-piperidin-1-ylpropoxy)indazole;hydrochloride?
The IUPAC name of 1-benzyl-5-methyl-3-(3-piperidin-1-ylpropoxy)indazole;hydrochloride (CID 162338049) is 1-benzyl-5-methyl-3-(3-piperidin-1-ylpropoxy)indazole;hydrochloride.
What is the SMILES notation for 1-benzyl-5-methyl-3-(3-piperidin-1-ylpropoxy)indazole;hydrochloride?
The canonical SMILES for 1-benzyl-5-methyl-3-(3-piperidin-1-ylpropoxy)indazole;hydrochloride is Cc1ccc2c(c1)c(OCCCN1CCCCC1)nn2Cc1ccccc1.Cl.
What is the InChIKey of 1-benzyl-5-methyl-3-(3-piperidin-1-ylpropoxy)indazole;hydrochloride?
The InChIKey is NWEOQURKQAFBDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O.ClH/c1-19-11-12-22-21(17-19)23(24-26(22)18-20-9-4-2-5-10-20)27-16-8-15-25-13-6-3-7-14-25;/h2,4-5,9-12,17H,3,6-8,13-16,18H2,1H3;1H.
What are the key properties of 1-benzyl-5-methyl-3-(3-piperidin-1-ylpropoxy)indazole;hydrochloride?
1-benzyl-5-methyl-3-(3-piperidin-1-ylpropoxy)indazole;hydrochloride has a molecular weight of 399.97 g/mol, XLogP of 5.07, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5-methyl-3-(3-piperidin-1-ylpropoxy)indazole;hydrochloride is sourced from PubChem (CID 162338049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).