3-(4-fluorophenyl)-1-(2-methoxyethoxymethyl)indazol-5-amine

C17H18FN3O2 — CID 22479706

IUPAC3-(4-fluorophenyl)-1-(2-methoxyethoxymethyl)indazol-5-amine
SMILESCOCCOCn1nc(-c2ccc(F)cc2)c2cc(N)ccc21
InChIInChI=1S/C17H18FN3O2/c1-22-8-9-23-11-21-16-7-6-14(19)10-15(16)17(20-21)12-2-4-13(18)5-3-12/h2-7,10H,8-9,11,19H2,1H3
InChIKeyQGGFKMJGAUDXNX-UHFFFAOYSA-N
MW315.35 g/mol
LogP3.05
Rot. Bonds6

About 3-(4-fluorophenyl)-1-(2-methoxyethoxymethyl)indazol-5-amine

3-(4-fluorophenyl)-1-(2-methoxyethoxymethyl)indazol-5-amine (PubChem CID 22479706) has the molecular formula C17H18FN3O2 and a molecular weight of 315.35 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-1-(2-methoxyethoxymethyl)indazol-5-amine.

Molecular Properties

Compound Name3-(4-fluorophenyl)-1-(2-methoxyethoxymethyl)indazol-5-amine
PubChem CID22479706
Molecular FormulaC17H18FN3O2
Molecular Weight315.35 g/mol
Exact Mass315.14
IUPAC Name3-(4-fluorophenyl)-1-(2-methoxyethoxymethyl)indazol-5-amine
SMILESCOCCOCn1nc(-c2ccc(F)cc2)c2cc(N)ccc21
InChIInChI=1S/C17H18FN3O2/c1-22-8-9-23-11-21-16-7-6-14(19)10-15(16)17(20-21)12-2-4-13(18)5-3-12/h2-7,10H,8-9,11,19H2,1H3
InChIKeyQGGFKMJGAUDXNX-UHFFFAOYSA-N
XLogP3.05
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.35
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-(4-fluorophenyl)-1-(2-methoxyethoxymethyl)indazol-5-amine 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-(4-fluorophenyl)-1-(2-methoxyethoxymethyl)indazol-5-amine?
The IUPAC name of 3-(4-fluorophenyl)-1-(2-methoxyethoxymethyl)indazol-5-amine (CID 22479706) is 3-(4-fluorophenyl)-1-(2-methoxyethoxymethyl)indazol-5-amine.
What is the SMILES notation for 3-(4-fluorophenyl)-1-(2-methoxyethoxymethyl)indazol-5-amine?
The canonical SMILES for 3-(4-fluorophenyl)-1-(2-methoxyethoxymethyl)indazol-5-amine is COCCOCn1nc(-c2ccc(F)cc2)c2cc(N)ccc21.
What is the InChIKey of 3-(4-fluorophenyl)-1-(2-methoxyethoxymethyl)indazol-5-amine?
The InChIKey is QGGFKMJGAUDXNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3O2/c1-22-8-9-23-11-21-16-7-6-14(19)10-15(16)17(20-21)12-2-4-13(18)5-3-12/h2-7,10H,8-9,11,19H2,1H3.
What are the key properties of 3-(4-fluorophenyl)-1-(2-methoxyethoxymethyl)indazol-5-amine?
3-(4-fluorophenyl)-1-(2-methoxyethoxymethyl)indazol-5-amine has a molecular weight of 315.35 g/mol, XLogP of 3.05, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-1-(2-methoxyethoxymethyl)indazol-5-amine is sourced from PubChem (CID 22479706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).