1-[6-[4-fluoro-1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]-2-pyridinyl]ethanone

C20H12F4N4O — CID 118664933

IUPAC1-[6-[4-fluoro-1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]-2-pyridinyl]ethanone
SMILESCC(=O)c1cccc(-c2cc(F)c3cnn(-c4cccc(C(F)(F)F)n4)c3c2)n1
InChIInChI=1S/C20H12F4N4O/c1-11(29)15-4-2-5-16(26-15)12-8-14(21)13-10-25-28(17(13)9-12)19-7-3-6-18(27-19)20(22,23)24/h2-10H,1H3
InChIKeyJEHQJHWCMHQTCT-UHFFFAOYSA-N
MW400.34 g/mol
LogP4.84
Rot. Bonds3

About 1-[6-[4-fluoro-1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]-2-pyridinyl]ethanone

1-[6-[4-fluoro-1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]-2-pyridinyl]ethanone (PubChem CID 118664933) has the molecular formula C20H12F4N4O and a molecular weight of 400.34 g/mol. Its IUPAC name is 1-[6-[4-fluoro-1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]-2-pyridinyl]ethanone.

Molecular Properties

Compound Name1-[6-[4-fluoro-1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]-2-pyridinyl]ethanone
PubChem CID118664933
Molecular FormulaC20H12F4N4O
Molecular Weight400.34 g/mol
Exact Mass400.09
IUPAC Name1-[6-[4-fluoro-1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]-2-pyridinyl]ethanone
SMILESCC(=O)c1cccc(-c2cc(F)c3cnn(-c4cccc(C(F)(F)F)n4)c3c2)n1
InChIInChI=1S/C20H12F4N4O/c1-11(29)15-4-2-5-16(26-15)12-8-14(21)13-10-25-28(17(13)9-12)19-7-3-6-18(27-19)20(22,23)24/h2-10H,1H3
InChIKeyJEHQJHWCMHQTCT-UHFFFAOYSA-N
XLogP4.84
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.34
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[6-[4-fluoro-1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]-2-pyridinyl]ethanone?
The IUPAC name of 1-[6-[4-fluoro-1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]-2-pyridinyl]ethanone (CID 118664933) is 1-[6-[4-fluoro-1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]-2-pyridinyl]ethanone.
What is the SMILES notation for 1-[6-[4-fluoro-1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]-2-pyridinyl]ethanone?
The canonical SMILES for 1-[6-[4-fluoro-1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]-2-pyridinyl]ethanone is CC(=O)c1cccc(-c2cc(F)c3cnn(-c4cccc(C(F)(F)F)n4)c3c2)n1.
What is the InChIKey of 1-[6-[4-fluoro-1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]-2-pyridinyl]ethanone?
The InChIKey is JEHQJHWCMHQTCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12F4N4O/c1-11(29)15-4-2-5-16(26-15)12-8-14(21)13-10-25-28(17(13)9-12)19-7-3-6-18(27-19)20(22,23)24/h2-10H,1H3.
What are the key properties of 1-[6-[4-fluoro-1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]-2-pyridinyl]ethanone?
1-[6-[4-fluoro-1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]-2-pyridinyl]ethanone has a molecular weight of 400.34 g/mol, XLogP of 4.84, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[4-fluoro-1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]-2-pyridinyl]ethanone is sourced from PubChem (CID 118664933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).