3-[(E)-2-(3-fluorophenyl)ethenyl]-4-methoxy-1H-indazol-5-amine

C16H14FN3O — CID 89206367

IUPAC3-[(E)-2-(3-fluorophenyl)ethenyl]-4-methoxy-1H-indazol-5-amine
SMILESCOc1c(N)ccc2[nH]nc(/C=C/c3cccc(F)c3)c12
InChIInChI=1S/C16H14FN3O/c1-21-16-12(18)6-8-14-15(16)13(19-20-14)7-5-10-3-2-4-11(17)9-10/h2-9H,18H2,1H3,(H,19,20)/b7-5+
InChIKeyUQARKLZNEGUULD-FNORWQNLSA-N
MW283.31 g/mol
LogP3.46
Rot. Bonds3

About 3-[(E)-2-(3-fluorophenyl)ethenyl]-4-methoxy-1H-indazol-5-amine

3-[(E)-2-(3-fluorophenyl)ethenyl]-4-methoxy-1H-indazol-5-amine (PubChem CID 89206367) has the molecular formula C16H14FN3O and a molecular weight of 283.31 g/mol. Its IUPAC name is 3-[(E)-2-(3-fluorophenyl)ethenyl]-4-methoxy-1H-indazol-5-amine.

Molecular Properties

Compound Name3-[(E)-2-(3-fluorophenyl)ethenyl]-4-methoxy-1H-indazol-5-amine
PubChem CID89206367
Molecular FormulaC16H14FN3O
Molecular Weight283.31 g/mol
Exact Mass283.11
IUPAC Name3-[(E)-2-(3-fluorophenyl)ethenyl]-4-methoxy-1H-indazol-5-amine
SMILESCOc1c(N)ccc2[nH]nc(/C=C/c3cccc(F)c3)c12
InChIInChI=1S/C16H14FN3O/c1-21-16-12(18)6-8-14-15(16)13(19-20-14)7-5-10-3-2-4-11(17)9-10/h2-9H,18H2,1H3,(H,19,20)/b7-5+
InChIKeyUQARKLZNEGUULD-FNORWQNLSA-N
XLogP3.46
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.31
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-[(E)-2-(3-fluorophenyl)ethenyl]-4-methoxy-1H-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

Related Compounds

5-[(5-fluoro-3-methyl-1H-indazol-4-yl)oxy]benzene-1,3-dicarbonitrile
CID 25218427
4-Methoxy-1H-indazole
CID 24729333
5-[(3-ethyl-5-fluoro-1H-indazol-4-yl)oxy]benzene-1,3-dicarbonitrile
CID 25195330
3-(4-methoxyphenyl)-1H-indazole
CID 9855970
3-[[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]oxy]aniline
CID 21877575
3-(E-styryl)-6-phenoxy-1H-indazole
CID 21877604
4-methoxy-3-(1,2,3,6-tetrahydropyridin-5-yl)-1H-indazole
CID 168941477
2-(4,6-difluoro-2H-indazol-3-yl)-N-[(2-methoxyphenyl)methyl]ethanamine
CID 176234865
2-(5-fluoro-4-methoxy-2H-indazol-3-yl)-N,N-dimethylethanamine
CID 176234880
3-methoxy-1H-indazole
CID 519581
4-Methoxy-1H-indazol-3-amine
CID 18526053
6-Methoxy-1H-indazol-5-amine
CID 27274712

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-2-(3-fluorophenyl)ethenyl]-4-methoxy-1H-indazol-5-amine?
The IUPAC name of 3-[(E)-2-(3-fluorophenyl)ethenyl]-4-methoxy-1H-indazol-5-amine (CID 89206367) is 3-[(E)-2-(3-fluorophenyl)ethenyl]-4-methoxy-1H-indazol-5-amine.
What is the SMILES notation for 3-[(E)-2-(3-fluorophenyl)ethenyl]-4-methoxy-1H-indazol-5-amine?
The canonical SMILES for 3-[(E)-2-(3-fluorophenyl)ethenyl]-4-methoxy-1H-indazol-5-amine is COc1c(N)ccc2[nH]nc(/C=C/c3cccc(F)c3)c12.
What is the InChIKey of 3-[(E)-2-(3-fluorophenyl)ethenyl]-4-methoxy-1H-indazol-5-amine?
The InChIKey is UQARKLZNEGUULD-FNORWQNLSA-N. The full InChI is InChI=1S/C16H14FN3O/c1-21-16-12(18)6-8-14-15(16)13(19-20-14)7-5-10-3-2-4-11(17)9-10/h2-9H,18H2,1H3,(H,19,20)/b7-5+.
What are the key properties of 3-[(E)-2-(3-fluorophenyl)ethenyl]-4-methoxy-1H-indazol-5-amine?
3-[(E)-2-(3-fluorophenyl)ethenyl]-4-methoxy-1H-indazol-5-amine has a molecular weight of 283.31 g/mol, XLogP of 3.46, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-2-(3-fluorophenyl)ethenyl]-4-methoxy-1H-indazol-5-amine is sourced from PubChem (CID 89206367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).