1-[(4-chlorophenyl)methyl]-3-(1-methylazepan-4-yl)oxyindazole

C21H24ClN3O — CID 15254725

IUPAC1-[(4-chlorophenyl)methyl]-3-(1-methylazepan-4-yl)oxyindazole
SMILESCN1CCCC(Oc2nn(Cc3ccc(Cl)cc3)c3ccccc23)CC1
InChIInChI=1S/C21H24ClN3O/c1-24-13-4-5-18(12-14-24)26-21-19-6-2-3-7-20(19)25(23-21)15-16-8-10-17(22)11-9-16/h2-3,6-11,18H,4-5,12-15H2,1H3
InChIKeyMHNYJYPQHXBYTH-UHFFFAOYSA-N
MW369.90 g/mol
LogP4.60
Rot. Bonds4

About 1-[(4-chlorophenyl)methyl]-3-(1-methylazepan-4-yl)oxyindazole

1-[(4-chlorophenyl)methyl]-3-(1-methylazepan-4-yl)oxyindazole (PubChem CID 15254725) has the molecular formula C21H24ClN3O and a molecular weight of 369.90 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-3-(1-methylazepan-4-yl)oxyindazole.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-3-(1-methylazepan-4-yl)oxyindazole
PubChem CID15254725
Molecular FormulaC21H24ClN3O
Molecular Weight369.90 g/mol
Exact Mass369.16
IUPAC Name1-[(4-chlorophenyl)methyl]-3-(1-methylazepan-4-yl)oxyindazole
SMILESCN1CCCC(Oc2nn(Cc3ccc(Cl)cc3)c3ccccc23)CC1
InChIInChI=1S/C21H24ClN3O/c1-24-13-4-5-18(12-14-24)26-21-19-6-2-3-7-20(19)25(23-21)15-16-8-10-17(22)11-9-16/h2-3,6-11,18H,4-5,12-15H2,1H3
InChIKeyMHNYJYPQHXBYTH-UHFFFAOYSA-N
XLogP4.60
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.90
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[(4-chlorophenyl)methyl]-3-(1-methylazepan-4-yl)oxyindazole 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-[(4-chlorophenyl)methyl]-3-(1-methylazepan-4-yl)oxyindazole?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-3-(1-methylazepan-4-yl)oxyindazole (CID 15254725) is 1-[(4-chlorophenyl)methyl]-3-(1-methylazepan-4-yl)oxyindazole.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-3-(1-methylazepan-4-yl)oxyindazole?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-3-(1-methylazepan-4-yl)oxyindazole is CN1CCCC(Oc2nn(Cc3ccc(Cl)cc3)c3ccccc23)CC1.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-3-(1-methylazepan-4-yl)oxyindazole?
The InChIKey is MHNYJYPQHXBYTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClN3O/c1-24-13-4-5-18(12-14-24)26-21-19-6-2-3-7-20(19)25(23-21)15-16-8-10-17(22)11-9-16/h2-3,6-11,18H,4-5,12-15H2,1H3.
What are the key properties of 1-[(4-chlorophenyl)methyl]-3-(1-methylazepan-4-yl)oxyindazole?
1-[(4-chlorophenyl)methyl]-3-(1-methylazepan-4-yl)oxyindazole has a molecular weight of 369.90 g/mol, XLogP of 4.60, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]-3-(1-methylazepan-4-yl)oxyindazole is sourced from PubChem (CID 15254725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).