7-fluoro-1-(3-fluoro-4-phenylmethoxyphenyl)-4-methoxyindazole

C21H16F2N2O2 — CID 59272956

IUPAC7-fluoro-1-(3-fluoro-4-phenylmethoxyphenyl)-4-methoxyindazole
SMILESCOc1ccc(F)c2c1cnn2-c1ccc(OCc2ccccc2)c(F)c1
InChIInChI=1S/C21H16F2N2O2/c1-26-19-10-8-17(22)21-16(19)12-24-25(21)15-7-9-20(18(23)11-15)27-13-14-5-3-2-4-6-14/h2-12H,13H2,1H3
InChIKeyVVRGMNPDNPZWSD-UHFFFAOYSA-N
MW366.37 g/mol
LogP4.89
Rot. Bonds5

About 7-fluoro-1-(3-fluoro-4-phenylmethoxyphenyl)-4-methoxyindazole

7-fluoro-1-(3-fluoro-4-phenylmethoxyphenyl)-4-methoxyindazole (PubChem CID 59272956) has the molecular formula C21H16F2N2O2 and a molecular weight of 366.37 g/mol. Its IUPAC name is 7-fluoro-1-(3-fluoro-4-phenylmethoxyphenyl)-4-methoxyindazole.

Molecular Properties

Compound Name7-fluoro-1-(3-fluoro-4-phenylmethoxyphenyl)-4-methoxyindazole
PubChem CID59272956
Molecular FormulaC21H16F2N2O2
Molecular Weight366.37 g/mol
Exact Mass366.12
IUPAC Name7-fluoro-1-(3-fluoro-4-phenylmethoxyphenyl)-4-methoxyindazole
SMILESCOc1ccc(F)c2c1cnn2-c1ccc(OCc2ccccc2)c(F)c1
InChIInChI=1S/C21H16F2N2O2/c1-26-19-10-8-17(22)21-16(19)12-24-25(21)15-7-9-20(18(23)11-15)27-13-14-5-3-2-4-6-14/h2-12H,13H2,1H3
InChIKeyVVRGMNPDNPZWSD-UHFFFAOYSA-N
XLogP4.89
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.37
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-1-(3-fluoro-4-phenylmethoxyphenyl)-4-methoxyindazole?
The IUPAC name of 7-fluoro-1-(3-fluoro-4-phenylmethoxyphenyl)-4-methoxyindazole (CID 59272956) is 7-fluoro-1-(3-fluoro-4-phenylmethoxyphenyl)-4-methoxyindazole.
What is the SMILES notation for 7-fluoro-1-(3-fluoro-4-phenylmethoxyphenyl)-4-methoxyindazole?
The canonical SMILES for 7-fluoro-1-(3-fluoro-4-phenylmethoxyphenyl)-4-methoxyindazole is COc1ccc(F)c2c1cnn2-c1ccc(OCc2ccccc2)c(F)c1.
What is the InChIKey of 7-fluoro-1-(3-fluoro-4-phenylmethoxyphenyl)-4-methoxyindazole?
The InChIKey is VVRGMNPDNPZWSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F2N2O2/c1-26-19-10-8-17(22)21-16(19)12-24-25(21)15-7-9-20(18(23)11-15)27-13-14-5-3-2-4-6-14/h2-12H,13H2,1H3.
What are the key properties of 7-fluoro-1-(3-fluoro-4-phenylmethoxyphenyl)-4-methoxyindazole?
7-fluoro-1-(3-fluoro-4-phenylmethoxyphenyl)-4-methoxyindazole has a molecular weight of 366.37 g/mol, XLogP of 4.89, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-1-(3-fluoro-4-phenylmethoxyphenyl)-4-methoxyindazole is sourced from PubChem (CID 59272956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).