1-[4-(6-fluoro-1H-indazol-4-yl)piperazin-1-yl]ethanone

C13H15FN4O — CID 121326388

IUPAC1-[4-(6-fluoro-1H-indazol-4-yl)piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2cc(F)cc3[nH]ncc23)CC1
InChIInChI=1S/C13H15FN4O/c1-9(19)17-2-4-18(5-3-17)13-7-10(14)6-12-11(13)8-15-16-12/h6-8H,2-5H2,1H3,(H,15,16)
InChIKeyIWWHJHAIZAVRCK-UHFFFAOYSA-N
MW262.29 g/mol
LogP1.37
Rot. Bonds1

About 1-[4-(6-fluoro-1H-indazol-4-yl)piperazin-1-yl]ethanone

1-[4-(6-fluoro-1H-indazol-4-yl)piperazin-1-yl]ethanone (PubChem CID 121326388) has the molecular formula C13H15FN4O and a molecular weight of 262.29 g/mol. Its IUPAC name is 1-[4-(6-fluoro-1H-indazol-4-yl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(6-fluoro-1H-indazol-4-yl)piperazin-1-yl]ethanone
PubChem CID121326388
Molecular FormulaC13H15FN4O
Molecular Weight262.29 g/mol
Exact Mass262.12
IUPAC Name1-[4-(6-fluoro-1H-indazol-4-yl)piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2cc(F)cc3[nH]ncc23)CC1
InChIInChI=1S/C13H15FN4O/c1-9(19)17-2-4-18(5-3-17)13-7-10(14)6-12-11(13)8-15-16-12/h6-8H,2-5H2,1H3,(H,15,16)
InChIKeyIWWHJHAIZAVRCK-UHFFFAOYSA-N
XLogP1.37
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.29
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(6-fluoro-1H-indazol-4-yl)piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-(6-fluoro-1H-indazol-4-yl)piperazin-1-yl]ethanone (CID 121326388) is 1-[4-(6-fluoro-1H-indazol-4-yl)piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-(6-fluoro-1H-indazol-4-yl)piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-(6-fluoro-1H-indazol-4-yl)piperazin-1-yl]ethanone is CC(=O)N1CCN(c2cc(F)cc3[nH]ncc23)CC1.
What is the InChIKey of 1-[4-(6-fluoro-1H-indazol-4-yl)piperazin-1-yl]ethanone?
The InChIKey is IWWHJHAIZAVRCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN4O/c1-9(19)17-2-4-18(5-3-17)13-7-10(14)6-12-11(13)8-15-16-12/h6-8H,2-5H2,1H3,(H,15,16).
What are the key properties of 1-[4-(6-fluoro-1H-indazol-4-yl)piperazin-1-yl]ethanone?
1-[4-(6-fluoro-1H-indazol-4-yl)piperazin-1-yl]ethanone has a molecular weight of 262.29 g/mol, XLogP of 1.37, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(6-fluoro-1H-indazol-4-yl)piperazin-1-yl]ethanone is sourced from PubChem (CID 121326388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).