2-(5-fluoro-2H-indazol-3-yl)-1-[4-(2-phenylethyl)piperazin-1-yl]ethanone

C21H23FN4O — CID 71801688

IUPAC2-(5-fluoro-2H-indazol-3-yl)-1-[4-(2-phenylethyl)piperazin-1-yl]ethanone
SMILESO=C(Cc1[nH]nc2ccc(F)cc12)N1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C21H23FN4O/c22-17-6-7-19-18(14-17)20(24-23-19)15-21(27)26-12-10-25(11-13-26)9-8-16-4-2-1-3-5-16/h1-7,14H,8-13,15H2,(H,23,24)
InChIKeyPXNYRUWZQYMAJI-UHFFFAOYSA-N
MW366.44 g/mol
LogP2.63
Rot. Bonds5

About 2-(5-fluoro-2H-indazol-3-yl)-1-[4-(2-phenylethyl)piperazin-1-yl]ethanone

2-(5-fluoro-2H-indazol-3-yl)-1-[4-(2-phenylethyl)piperazin-1-yl]ethanone (PubChem CID 71801688) has the molecular formula C21H23FN4O and a molecular weight of 366.44 g/mol. Its IUPAC name is 2-(5-fluoro-2H-indazol-3-yl)-1-[4-(2-phenylethyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(5-fluoro-2H-indazol-3-yl)-1-[4-(2-phenylethyl)piperazin-1-yl]ethanone
PubChem CID71801688
Molecular FormulaC21H23FN4O
Molecular Weight366.44 g/mol
Exact Mass366.19
IUPAC Name2-(5-fluoro-2H-indazol-3-yl)-1-[4-(2-phenylethyl)piperazin-1-yl]ethanone
SMILESO=C(Cc1[nH]nc2ccc(F)cc12)N1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C21H23FN4O/c22-17-6-7-19-18(14-17)20(24-23-19)15-21(27)26-12-10-25(11-13-26)9-8-16-4-2-1-3-5-16/h1-7,14H,8-13,15H2,(H,23,24)
InChIKeyPXNYRUWZQYMAJI-UHFFFAOYSA-N
XLogP2.63
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.44
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-2H-indazol-3-yl)-1-[4-(2-phenylethyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-(5-fluoro-2H-indazol-3-yl)-1-[4-(2-phenylethyl)piperazin-1-yl]ethanone (CID 71801688) is 2-(5-fluoro-2H-indazol-3-yl)-1-[4-(2-phenylethyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(5-fluoro-2H-indazol-3-yl)-1-[4-(2-phenylethyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-(5-fluoro-2H-indazol-3-yl)-1-[4-(2-phenylethyl)piperazin-1-yl]ethanone is O=C(Cc1[nH]nc2ccc(F)cc12)N1CCN(CCc2ccccc2)CC1.
What is the InChIKey of 2-(5-fluoro-2H-indazol-3-yl)-1-[4-(2-phenylethyl)piperazin-1-yl]ethanone?
The InChIKey is PXNYRUWZQYMAJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN4O/c22-17-6-7-19-18(14-17)20(24-23-19)15-21(27)26-12-10-25(11-13-26)9-8-16-4-2-1-3-5-16/h1-7,14H,8-13,15H2,(H,23,24).
What are the key properties of 2-(5-fluoro-2H-indazol-3-yl)-1-[4-(2-phenylethyl)piperazin-1-yl]ethanone?
2-(5-fluoro-2H-indazol-3-yl)-1-[4-(2-phenylethyl)piperazin-1-yl]ethanone has a molecular weight of 366.44 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-2H-indazol-3-yl)-1-[4-(2-phenylethyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 71801688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).