6-(2-fluorophenoxy)-3-(3-phenylmethoxyphenyl)-1H-indazole

C26H19FN2O2 — CID 11475376

IUPAC6-(2-fluorophenoxy)-3-(3-phenylmethoxyphenyl)-1H-indazole
SMILESFc1ccccc1Oc1ccc2c(-c3cccc(OCc4ccccc4)c3)n[nH]c2c1
InChIInChI=1S/C26H19FN2O2/c27-23-11-4-5-12-25(23)31-21-13-14-22-24(16-21)28-29-26(22)19-9-6-10-20(15-19)30-17-18-7-2-1-3-8-18/h1-16H,17H2,(H,28,29)
InChIKeyWJPBUNTXOHPXGF-UHFFFAOYSA-N
MW410.45 g/mol
LogP6.74
Rot. Bonds6

About 6-(2-fluorophenoxy)-3-(3-phenylmethoxyphenyl)-1H-indazole

6-(2-fluorophenoxy)-3-(3-phenylmethoxyphenyl)-1H-indazole (PubChem CID 11475376) has the molecular formula C26H19FN2O2 and a molecular weight of 410.45 g/mol. Its IUPAC name is 6-(2-fluorophenoxy)-3-(3-phenylmethoxyphenyl)-1H-indazole.

Molecular Properties

Compound Name6-(2-fluorophenoxy)-3-(3-phenylmethoxyphenyl)-1H-indazole
PubChem CID11475376
Molecular FormulaC26H19FN2O2
Molecular Weight410.45 g/mol
Exact Mass410.14
IUPAC Name6-(2-fluorophenoxy)-3-(3-phenylmethoxyphenyl)-1H-indazole
SMILESFc1ccccc1Oc1ccc2c(-c3cccc(OCc4ccccc4)c3)n[nH]c2c1
InChIInChI=1S/C26H19FN2O2/c27-23-11-4-5-12-25(23)31-21-13-14-22-24(16-21)28-29-26(22)19-9-6-10-20(15-19)30-17-18-7-2-1-3-8-18/h1-16H,17H2,(H,28,29)
InChIKeyWJPBUNTXOHPXGF-UHFFFAOYSA-N
XLogP6.74
TPSA47.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.45
LogP ≤ 56.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(5-fluoro-3-methyl-1H-indazol-4-yl)oxy]benzene-1,3-dicarbonitrile
CID 25218427
5-[(3-ethyl-1H-indazol-4-yl)oxy]benzene-1,3-dicarbonitrile
CID 25218423
5-[(3-ethyl-5-fluoro-1H-indazol-4-yl)oxy]benzene-1,3-dicarbonitrile
CID 25195330
5-[(3-methyl-1H-indazol-4-yl)oxy]benzene-1,3-dicarbonitrile
CID 25218422
Mps1 Inhibitor I
CID 73345836
3,5-bis(4-propan-2-yloxyphenyl)-1H-indazole
CID 134179643
N-[3-[[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]oxy]phenyl]acetamide
CID 21877419
5-[[3-(methoxymethyl)-1H-indazol-4-yl]oxy]benzene-1,3-dicarbonitrile
CID 25218425
17-(4-Fluorophenyl)-15-phenyl-11-oxa-13,14-diazatetracyclo[8.7.0.03,8.012,16]heptadeca-1(10),2,8,12,15-pentaen-2-amine
CID 134148653
4-[6-(trifluoromethoxy)-1H-indazol-3-yl]benzonitrile
CID 137661020
5-(oxan-4-yl)-3-(4-phenoxyphenyl)-1H-pyrazole
CID 23656797
3-[(4-methoxyphenyl)methoxy]-1H-indazole
CID 154487474

Frequently Asked Questions

What is the IUPAC name of 6-(2-fluorophenoxy)-3-(3-phenylmethoxyphenyl)-1H-indazole?
The IUPAC name of 6-(2-fluorophenoxy)-3-(3-phenylmethoxyphenyl)-1H-indazole (CID 11475376) is 6-(2-fluorophenoxy)-3-(3-phenylmethoxyphenyl)-1H-indazole.
What is the SMILES notation for 6-(2-fluorophenoxy)-3-(3-phenylmethoxyphenyl)-1H-indazole?
The canonical SMILES for 6-(2-fluorophenoxy)-3-(3-phenylmethoxyphenyl)-1H-indazole is Fc1ccccc1Oc1ccc2c(-c3cccc(OCc4ccccc4)c3)n[nH]c2c1.
What is the InChIKey of 6-(2-fluorophenoxy)-3-(3-phenylmethoxyphenyl)-1H-indazole?
The InChIKey is WJPBUNTXOHPXGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19FN2O2/c27-23-11-4-5-12-25(23)31-21-13-14-22-24(16-21)28-29-26(22)19-9-6-10-20(15-19)30-17-18-7-2-1-3-8-18/h1-16H,17H2,(H,28,29).
What are the key properties of 6-(2-fluorophenoxy)-3-(3-phenylmethoxyphenyl)-1H-indazole?
6-(2-fluorophenoxy)-3-(3-phenylmethoxyphenyl)-1H-indazole has a molecular weight of 410.45 g/mol, XLogP of 6.74, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-fluorophenoxy)-3-(3-phenylmethoxyphenyl)-1H-indazole is sourced from PubChem (CID 11475376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).