3-[3-[3-(4-fluorophenyl)indazol-1-yl]phenoxy]-N,N-dimethylpropan-1-amine

C24H24FN3O — CID 15158085

IUPAC3-[3-[3-(4-fluorophenyl)indazol-1-yl]phenoxy]-N,N-dimethylpropan-1-amine
SMILESCN(C)CCCOc1cccc(-n2nc(-c3ccc(F)cc3)c3ccccc32)c1
InChIInChI=1S/C24H24FN3O/c1-27(2)15-6-16-29-21-8-5-7-20(17-21)28-23-10-4-3-9-22(23)24(26-28)18-11-13-19(25)14-12-18/h3-5,7-14,17H,6,15-16H2,1-2H3
InChIKeyWBHWJBHLKJJLNY-UHFFFAOYSA-N
MW389.47 g/mol
LogP5.16
Rot. Bonds7

About 3-[3-[3-(4-fluorophenyl)indazol-1-yl]phenoxy]-N,N-dimethylpropan-1-amine

3-[3-[3-(4-fluorophenyl)indazol-1-yl]phenoxy]-N,N-dimethylpropan-1-amine (PubChem CID 15158085) has the molecular formula C24H24FN3O and a molecular weight of 389.47 g/mol. Its IUPAC name is 3-[3-[3-(4-fluorophenyl)indazol-1-yl]phenoxy]-N,N-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-[3-[3-(4-fluorophenyl)indazol-1-yl]phenoxy]-N,N-dimethylpropan-1-amine
PubChem CID15158085
Molecular FormulaC24H24FN3O
Molecular Weight389.47 g/mol
Exact Mass389.19
IUPAC Name3-[3-[3-(4-fluorophenyl)indazol-1-yl]phenoxy]-N,N-dimethylpropan-1-amine
SMILESCN(C)CCCOc1cccc(-n2nc(-c3ccc(F)cc3)c3ccccc32)c1
InChIInChI=1S/C24H24FN3O/c1-27(2)15-6-16-29-21-8-5-7-20(17-21)28-23-10-4-3-9-22(23)24(26-28)18-11-13-19(25)14-12-18/h3-5,7-14,17H,6,15-16H2,1-2H3
InChIKeyWBHWJBHLKJJLNY-UHFFFAOYSA-N
XLogP5.16
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.47
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[3-[3-(4-fluorophenyl)indazol-1-yl]phenoxy]-N,N-dimethylpropan-1-amine?
The IUPAC name of 3-[3-[3-(4-fluorophenyl)indazol-1-yl]phenoxy]-N,N-dimethylpropan-1-amine (CID 15158085) is 3-[3-[3-(4-fluorophenyl)indazol-1-yl]phenoxy]-N,N-dimethylpropan-1-amine.
What is the SMILES notation for 3-[3-[3-(4-fluorophenyl)indazol-1-yl]phenoxy]-N,N-dimethylpropan-1-amine?
The canonical SMILES for 3-[3-[3-(4-fluorophenyl)indazol-1-yl]phenoxy]-N,N-dimethylpropan-1-amine is CN(C)CCCOc1cccc(-n2nc(-c3ccc(F)cc3)c3ccccc32)c1.
What is the InChIKey of 3-[3-[3-(4-fluorophenyl)indazol-1-yl]phenoxy]-N,N-dimethylpropan-1-amine?
The InChIKey is WBHWJBHLKJJLNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN3O/c1-27(2)15-6-16-29-21-8-5-7-20(17-21)28-23-10-4-3-9-22(23)24(26-28)18-11-13-19(25)14-12-18/h3-5,7-14,17H,6,15-16H2,1-2H3.
What are the key properties of 3-[3-[3-(4-fluorophenyl)indazol-1-yl]phenoxy]-N,N-dimethylpropan-1-amine?
3-[3-[3-(4-fluorophenyl)indazol-1-yl]phenoxy]-N,N-dimethylpropan-1-amine has a molecular weight of 389.47 g/mol, XLogP of 5.16, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[3-(4-fluorophenyl)indazol-1-yl]phenoxy]-N,N-dimethylpropan-1-amine is sourced from PubChem (CID 15158085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).