5-fluoro-2-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-2,3-dihydroinden-1-one

C20H22FN3O — CID 164622487

IUPAC5-fluoro-2-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-2,3-dihydroinden-1-one
SMILESO=C1c2ccc(F)cc2CC1CCN1CCN(c2ccccn2)CC1
InChIInChI=1S/C20H22FN3O/c21-17-4-5-18-16(14-17)13-15(20(18)25)6-8-23-9-11-24(12-10-23)19-3-1-2-7-22-19/h1-5,7,14-15H,6,8-13H2
InChIKeyZEDZOJZPJMLGQC-UHFFFAOYSA-N
MW339.41 g/mol
LogP2.79
Rot. Bonds4

About 5-fluoro-2-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-2,3-dihydroinden-1-one

5-fluoro-2-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-2,3-dihydroinden-1-one (PubChem CID 164622487) has the molecular formula C20H22FN3O and a molecular weight of 339.41 g/mol. Its IUPAC name is 5-fluoro-2-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name5-fluoro-2-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-2,3-dihydroinden-1-one
PubChem CID164622487
Molecular FormulaC20H22FN3O
Molecular Weight339.41 g/mol
Exact Mass339.17
IUPAC Name5-fluoro-2-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-2,3-dihydroinden-1-one
SMILESO=C1c2ccc(F)cc2CC1CCN1CCN(c2ccccn2)CC1
InChIInChI=1S/C20H22FN3O/c21-17-4-5-18-16(14-17)13-15(20(18)25)6-8-23-9-11-24(12-10-23)19-3-1-2-7-22-19/h1-5,7,14-15H,6,8-13H2
InChIKeyZEDZOJZPJMLGQC-UHFFFAOYSA-N
XLogP2.79
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.41
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-2,3-dihydroinden-1-one?
The IUPAC name of 5-fluoro-2-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-2,3-dihydroinden-1-one (CID 164622487) is 5-fluoro-2-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-2,3-dihydroinden-1-one.
What is the SMILES notation for 5-fluoro-2-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-2,3-dihydroinden-1-one?
The canonical SMILES for 5-fluoro-2-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-2,3-dihydroinden-1-one is O=C1c2ccc(F)cc2CC1CCN1CCN(c2ccccn2)CC1.
What is the InChIKey of 5-fluoro-2-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-2,3-dihydroinden-1-one?
The InChIKey is ZEDZOJZPJMLGQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN3O/c21-17-4-5-18-16(14-17)13-15(20(18)25)6-8-23-9-11-24(12-10-23)19-3-1-2-7-22-19/h1-5,7,14-15H,6,8-13H2.
What are the key properties of 5-fluoro-2-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-2,3-dihydroinden-1-one?
5-fluoro-2-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-2,3-dihydroinden-1-one has a molecular weight of 339.41 g/mol, XLogP of 2.79, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-2,3-dihydroinden-1-one is sourced from PubChem (CID 164622487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).