6-bromo-1-(3-fluoro-4-phenylmethoxyphenyl)-4-methoxyindazole

C21H16BrFN2O2 — CID 59272981

IUPAC6-bromo-1-(3-fluoro-4-phenylmethoxyphenyl)-4-methoxyindazole
SMILESCOc1cc(Br)cc2c1cnn2-c1ccc(OCc2ccccc2)c(F)c1
InChIInChI=1S/C21H16BrFN2O2/c1-26-21-10-15(22)9-19-17(21)12-24-25(19)16-7-8-20(18(23)11-16)27-13-14-5-3-2-4-6-14/h2-12H,13H2,1H3
InChIKeyQQTVRAPUPGDBRD-UHFFFAOYSA-N
MW427.27 g/mol
LogP5.51
Rot. Bonds5

About 6-bromo-1-(3-fluoro-4-phenylmethoxyphenyl)-4-methoxyindazole

6-bromo-1-(3-fluoro-4-phenylmethoxyphenyl)-4-methoxyindazole (PubChem CID 59272981) has the molecular formula C21H16BrFN2O2 and a molecular weight of 427.27 g/mol. Its IUPAC name is 6-bromo-1-(3-fluoro-4-phenylmethoxyphenyl)-4-methoxyindazole.

Molecular Properties

Compound Name6-bromo-1-(3-fluoro-4-phenylmethoxyphenyl)-4-methoxyindazole
PubChem CID59272981
Molecular FormulaC21H16BrFN2O2
Molecular Weight427.27 g/mol
Exact Mass426.04
IUPAC Name6-bromo-1-(3-fluoro-4-phenylmethoxyphenyl)-4-methoxyindazole
SMILESCOc1cc(Br)cc2c1cnn2-c1ccc(OCc2ccccc2)c(F)c1
InChIInChI=1S/C21H16BrFN2O2/c1-26-21-10-15(22)9-19-17(21)12-24-25(19)16-7-8-20(18(23)11-16)27-13-14-5-3-2-4-6-14/h2-12H,13H2,1H3
InChIKeyQQTVRAPUPGDBRD-UHFFFAOYSA-N
XLogP5.51
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.27
LogP ≤ 55.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-Allyl-6-{[3-(4-bromophenyl)-1-methyl-1H-indazol-6-yl]oxy}-N-methyl-1-hexanamine
CID 445989
(2e)-N-Allyl-4-((3-(4-Bromophenyl)-5-Fluoro-1-Methyl-1h-Indazol-6-Yl)Oxy)-N-Methyl-2-Buten-1-Amine
CID 445990
Allyl-(4-[3-(4-bromo-phenyl)-5-fluoro-1-methyl-1h-indazol-6-yloxy]-but-2-enyl)-methyl-amine
CID 67596915
3-[3-(4-bromophenyl)-5-fluoro-1-methylindazol-6-yl]oxy-N-methyl-N-prop-2-enylbut-1-en-2-amine
CID 141618173
6-Bromo-5-(2,4-difluorophenoxy)-1-isobutyl-1H-indazole
CID 57418762
(E)-5-[3-(4-bromophenyl)-5-fluoro-1-methylindazol-6-yl]oxy-N-prop-2-enylpent-2-en-1-amine
CID 57511250
4-bromo-6-(2,4-difluoro-phenoxy)-1-(2-trimethylsilanyl-ethoxymethyl)-1H-indazole
CID 57886794
4-Bromo-1-(3,5-difluoro-4-phenylmethoxyphenyl)-6-isocyanoindazole
CID 59272952
4-Bromo-1-(3-fluoro-4-phenylmethoxyphenyl)-6-isocyanoindazole
CID 59272954
1-{3,5-Difluoro-4-[(phenyl methyl)oxy]phenyl}-4-[(phenylmethyl)oxy]-1H-indazole
CID 59272955
7-Fluoro-1-{3-fluoro-4-[(phenylmethyl)oxy]phenyl}-4-(methyloxy)-1H-indazole
CID 59272956
4-Bromo-5-fluoro-1-{3-fluoro-4-[(phenylmethyl)oxy]phenyl}-1H-indazole
CID 59272959

Frequently Asked Questions

What is the IUPAC name of 6-bromo-1-(3-fluoro-4-phenylmethoxyphenyl)-4-methoxyindazole?
The IUPAC name of 6-bromo-1-(3-fluoro-4-phenylmethoxyphenyl)-4-methoxyindazole (CID 59272981) is 6-bromo-1-(3-fluoro-4-phenylmethoxyphenyl)-4-methoxyindazole.
What is the SMILES notation for 6-bromo-1-(3-fluoro-4-phenylmethoxyphenyl)-4-methoxyindazole?
The canonical SMILES for 6-bromo-1-(3-fluoro-4-phenylmethoxyphenyl)-4-methoxyindazole is COc1cc(Br)cc2c1cnn2-c1ccc(OCc2ccccc2)c(F)c1.
What is the InChIKey of 6-bromo-1-(3-fluoro-4-phenylmethoxyphenyl)-4-methoxyindazole?
The InChIKey is QQTVRAPUPGDBRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16BrFN2O2/c1-26-21-10-15(22)9-19-17(21)12-24-25(19)16-7-8-20(18(23)11-16)27-13-14-5-3-2-4-6-14/h2-12H,13H2,1H3.
What are the key properties of 6-bromo-1-(3-fluoro-4-phenylmethoxyphenyl)-4-methoxyindazole?
6-bromo-1-(3-fluoro-4-phenylmethoxyphenyl)-4-methoxyindazole has a molecular weight of 427.27 g/mol, XLogP of 5.51, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1-(3-fluoro-4-phenylmethoxyphenyl)-4-methoxyindazole is sourced from PubChem (CID 59272981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).