2-(6-methoxy-1H-indazol-5-yl)-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone

C16H12F3N3O2 — CID 147730090

IUPAC2-(6-methoxy-1H-indazol-5-yl)-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone
SMILESCOc1cc2[nH]ncc2cc1CC(=O)c1cccc(C(F)(F)F)n1
InChIInChI=1S/C16H12F3N3O2/c1-24-14-7-12-10(8-20-22-12)5-9(14)6-13(23)11-3-2-4-15(21-11)16(17,18)19/h2-5,7-8H,6H2,1H3,(H,20,22)
InChIKeyGYGBJIXXSQANCA-UHFFFAOYSA-N
MW335.29 g/mol
LogP3.41
Rot. Bonds4

About 2-(6-methoxy-1H-indazol-5-yl)-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone

2-(6-methoxy-1H-indazol-5-yl)-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone (PubChem CID 147730090) has the molecular formula C16H12F3N3O2 and a molecular weight of 335.29 g/mol. Its IUPAC name is 2-(6-methoxy-1H-indazol-5-yl)-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone.

Molecular Properties

Compound Name2-(6-methoxy-1H-indazol-5-yl)-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone
PubChem CID147730090
Molecular FormulaC16H12F3N3O2
Molecular Weight335.29 g/mol
Exact Mass335.09
IUPAC Name2-(6-methoxy-1H-indazol-5-yl)-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone
SMILESCOc1cc2[nH]ncc2cc1CC(=O)c1cccc(C(F)(F)F)n1
InChIInChI=1S/C16H12F3N3O2/c1-24-14-7-12-10(8-20-22-12)5-9(14)6-13(23)11-3-2-4-15(21-11)16(17,18)19/h2-5,7-8H,6H2,1H3,(H,20,22)
InChIKeyGYGBJIXXSQANCA-UHFFFAOYSA-N
XLogP3.41
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.29
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(6-methoxy-1H-indazol-5-yl)-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone?
The IUPAC name of 2-(6-methoxy-1H-indazol-5-yl)-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone (CID 147730090) is 2-(6-methoxy-1H-indazol-5-yl)-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone.
What is the SMILES notation for 2-(6-methoxy-1H-indazol-5-yl)-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone?
The canonical SMILES for 2-(6-methoxy-1H-indazol-5-yl)-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone is COc1cc2[nH]ncc2cc1CC(=O)c1cccc(C(F)(F)F)n1.
What is the InChIKey of 2-(6-methoxy-1H-indazol-5-yl)-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone?
The InChIKey is GYGBJIXXSQANCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F3N3O2/c1-24-14-7-12-10(8-20-22-12)5-9(14)6-13(23)11-3-2-4-15(21-11)16(17,18)19/h2-5,7-8H,6H2,1H3,(H,20,22).
What are the key properties of 2-(6-methoxy-1H-indazol-5-yl)-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone?
2-(6-methoxy-1H-indazol-5-yl)-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone has a molecular weight of 335.29 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methoxy-1H-indazol-5-yl)-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone is sourced from PubChem (CID 147730090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).