3-fluoro-4-[1-methyl-6-(1H-pyrazol-4-yl)indazol-5-yl]oxyaniline

C17H14FN5O — CID 66767051

IUPAC3-fluoro-4-[1-methyl-6-(1H-pyrazol-4-yl)indazol-5-yl]oxyaniline
SMILESCn1ncc2cc(Oc3ccc(N)cc3F)c(-c3cn[nH]c3)cc21
InChIInChI=1S/C17H14FN5O/c1-23-15-6-13(11-7-20-21-8-11)17(4-10(15)9-22-23)24-16-3-2-12(19)5-14(16)18/h2-9H,19H2,1H3,(H,20,21)
InChIKeyLXRCXJIRKLIRQD-UHFFFAOYSA-N
MW323.33 g/mol
LogP3.48
Rot. Bonds3

About 3-fluoro-4-[1-methyl-6-(1H-pyrazol-4-yl)indazol-5-yl]oxyaniline

3-fluoro-4-[1-methyl-6-(1H-pyrazol-4-yl)indazol-5-yl]oxyaniline (PubChem CID 66767051) has the molecular formula C17H14FN5O and a molecular weight of 323.33 g/mol. Its IUPAC name is 3-fluoro-4-[1-methyl-6-(1H-pyrazol-4-yl)indazol-5-yl]oxyaniline.

Molecular Properties

Compound Name3-fluoro-4-[1-methyl-6-(1H-pyrazol-4-yl)indazol-5-yl]oxyaniline
PubChem CID66767051
Molecular FormulaC17H14FN5O
Molecular Weight323.33 g/mol
Exact Mass323.12
IUPAC Name3-fluoro-4-[1-methyl-6-(1H-pyrazol-4-yl)indazol-5-yl]oxyaniline
SMILESCn1ncc2cc(Oc3ccc(N)cc3F)c(-c3cn[nH]c3)cc21
InChIInChI=1S/C17H14FN5O/c1-23-15-6-13(11-7-20-21-8-11)17(4-10(15)9-22-23)24-16-3-2-12(19)5-14(16)18/h2-9H,19H2,1H3,(H,20,21)
InChIKeyLXRCXJIRKLIRQD-UHFFFAOYSA-N
XLogP3.48
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.33
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

Merestinib
CID 44603533
5-[5-Ethoxy-6-(1-Methyl-1h-Pyrazol-4-Yl)-1h-Indazol-3-Yl]-2-Methylbenzenesulfonamide
CID 71576779
3-[5-ethoxy-6-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]benzenesulfonamide
CID 54675574
2-amino-N-[4-[[3-(1-methylpyrazol-4-yl)-1H-indazol-5-yl]oxy]phenyl]acetamide
CID 118735792
7-Methoxy-1,4,5,10-tetrahydropyrazolo[5,4-a]carbazole
CID 135469330
N-[(3-fluoro-5-methoxyphenyl)methyl]-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazol-5-amine
CID 156734116
5-(3,5-difluorophenoxy)-3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole
CID 156734147
5-[(3,5-difluorophenyl)methoxy]-3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole
CID 162664273
2-[(3-pyridin-4-yl-1H-indazol-5-yl)oxy]benzonitrile
CID 166551420
3-[5-cyclohexyloxy-6-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]benzenesulfonamide
CID 54675542
3-[5-ethoxy-6-(1H-pyrazol-4-yl)-1H-indazol-3-yl]benzenesulfonamide
CID 71682299
3-[5-ethoxy-6-[1-(2-methylpropyl)pyrazol-4-yl]-1H-indazol-3-yl]benzenesulfonamide
CID 71682300

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-[1-methyl-6-(1H-pyrazol-4-yl)indazol-5-yl]oxyaniline?
The IUPAC name of 3-fluoro-4-[1-methyl-6-(1H-pyrazol-4-yl)indazol-5-yl]oxyaniline (CID 66767051) is 3-fluoro-4-[1-methyl-6-(1H-pyrazol-4-yl)indazol-5-yl]oxyaniline.
What is the SMILES notation for 3-fluoro-4-[1-methyl-6-(1H-pyrazol-4-yl)indazol-5-yl]oxyaniline?
The canonical SMILES for 3-fluoro-4-[1-methyl-6-(1H-pyrazol-4-yl)indazol-5-yl]oxyaniline is Cn1ncc2cc(Oc3ccc(N)cc3F)c(-c3cn[nH]c3)cc21.
What is the InChIKey of 3-fluoro-4-[1-methyl-6-(1H-pyrazol-4-yl)indazol-5-yl]oxyaniline?
The InChIKey is LXRCXJIRKLIRQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN5O/c1-23-15-6-13(11-7-20-21-8-11)17(4-10(15)9-22-23)24-16-3-2-12(19)5-14(16)18/h2-9H,19H2,1H3,(H,20,21).
What are the key properties of 3-fluoro-4-[1-methyl-6-(1H-pyrazol-4-yl)indazol-5-yl]oxyaniline?
3-fluoro-4-[1-methyl-6-(1H-pyrazol-4-yl)indazol-5-yl]oxyaniline has a molecular weight of 323.33 g/mol, XLogP of 3.48, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-[1-methyl-6-(1H-pyrazol-4-yl)indazol-5-yl]oxyaniline is sourced from PubChem (CID 66767051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).