6-fluoro-N-(3,4,5-trimethoxyphenyl)-1H-indazol-3-amine

C16H16FN3O3 — CID 162644377

IUPAC6-fluoro-N-(3,4,5-trimethoxyphenyl)-1H-indazol-3-amine
SMILESCOc1cc(Nc2n[nH]c3cc(F)ccc23)cc(OC)c1OC
InChIInChI=1S/C16H16FN3O3/c1-21-13-7-10(8-14(22-2)15(13)23-3)18-16-11-5-4-9(17)6-12(11)19-20-16/h4-8H,1-3H3,(H2,18,19,20)
InChIKeyXKHISZLIXMPZHE-UHFFFAOYSA-N
MW317.32 g/mol
LogP3.47
Rot. Bonds5

About 6-fluoro-N-(3,4,5-trimethoxyphenyl)-1H-indazol-3-amine

6-fluoro-N-(3,4,5-trimethoxyphenyl)-1H-indazol-3-amine (PubChem CID 162644377) has the molecular formula C16H16FN3O3 and a molecular weight of 317.32 g/mol. Its IUPAC name is 6-fluoro-N-(3,4,5-trimethoxyphenyl)-1H-indazol-3-amine.

Molecular Properties

Compound Name6-fluoro-N-(3,4,5-trimethoxyphenyl)-1H-indazol-3-amine
PubChem CID162644377
Molecular FormulaC16H16FN3O3
Molecular Weight317.32 g/mol
Exact Mass317.12
IUPAC Name6-fluoro-N-(3,4,5-trimethoxyphenyl)-1H-indazol-3-amine
SMILESCOc1cc(Nc2n[nH]c3cc(F)ccc23)cc(OC)c1OC
InChIInChI=1S/C16H16FN3O3/c1-21-13-7-10(8-14(22-2)15(13)23-3)18-16-11-5-4-9(17)6-12(11)19-20-16/h4-8H,1-3H3,(H2,18,19,20)
InChIKeyXKHISZLIXMPZHE-UHFFFAOYSA-N
XLogP3.47
TPSA68.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.32
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-(3,4,5-trimethoxyphenyl)-1H-indazol-3-amine?
The IUPAC name of 6-fluoro-N-(3,4,5-trimethoxyphenyl)-1H-indazol-3-amine (CID 162644377) is 6-fluoro-N-(3,4,5-trimethoxyphenyl)-1H-indazol-3-amine.
What is the SMILES notation for 6-fluoro-N-(3,4,5-trimethoxyphenyl)-1H-indazol-3-amine?
The canonical SMILES for 6-fluoro-N-(3,4,5-trimethoxyphenyl)-1H-indazol-3-amine is COc1cc(Nc2n[nH]c3cc(F)ccc23)cc(OC)c1OC.
What is the InChIKey of 6-fluoro-N-(3,4,5-trimethoxyphenyl)-1H-indazol-3-amine?
The InChIKey is XKHISZLIXMPZHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3O3/c1-21-13-7-10(8-14(22-2)15(13)23-3)18-16-11-5-4-9(17)6-12(11)19-20-16/h4-8H,1-3H3,(H2,18,19,20).
What are the key properties of 6-fluoro-N-(3,4,5-trimethoxyphenyl)-1H-indazol-3-amine?
6-fluoro-N-(3,4,5-trimethoxyphenyl)-1H-indazol-3-amine has a molecular weight of 317.32 g/mol, XLogP of 3.47, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-(3,4,5-trimethoxyphenyl)-1H-indazol-3-amine is sourced from PubChem (CID 162644377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).