2-[4-(5-fluoro-3-pyridinyl)piperazin-1-yl]-1-(4-pyrazin-2-ylpiperazin-1-yl)ethanone

C19H24FN7O — CID 136537490

IUPAC2-[4-(5-fluoro-3-pyridinyl)piperazin-1-yl]-1-(4-pyrazin-2-ylpiperazin-1-yl)ethanone
SMILESO=C(CN1CCN(c2cncc(F)c2)CC1)N1CCN(c2cnccn2)CC1
InChIInChI=1S/C19H24FN7O/c20-16-11-17(13-22-12-16)25-5-3-24(4-6-25)15-19(28)27-9-7-26(8-10-27)18-14-21-1-2-23-18/h1-2,11-14H,3-10,15H2
InChIKeyPPFJRUVBEMFOCQ-UHFFFAOYSA-N
MW385.45 g/mol
LogP0.48
Rot. Bonds4

About 2-[4-(5-fluoro-3-pyridinyl)piperazin-1-yl]-1-(4-pyrazin-2-ylpiperazin-1-yl)ethanone

2-[4-(5-fluoro-3-pyridinyl)piperazin-1-yl]-1-(4-pyrazin-2-ylpiperazin-1-yl)ethanone (PubChem CID 136537490) has the molecular formula C19H24FN7O and a molecular weight of 385.45 g/mol. Its IUPAC name is 2-[4-(5-fluoro-3-pyridinyl)piperazin-1-yl]-1-(4-pyrazin-2-ylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-[4-(5-fluoro-3-pyridinyl)piperazin-1-yl]-1-(4-pyrazin-2-ylpiperazin-1-yl)ethanone
PubChem CID136537490
Molecular FormulaC19H24FN7O
Molecular Weight385.45 g/mol
Exact Mass385.20
IUPAC Name2-[4-(5-fluoro-3-pyridinyl)piperazin-1-yl]-1-(4-pyrazin-2-ylpiperazin-1-yl)ethanone
SMILESO=C(CN1CCN(c2cncc(F)c2)CC1)N1CCN(c2cnccn2)CC1
InChIInChI=1S/C19H24FN7O/c20-16-11-17(13-22-12-16)25-5-3-24(4-6-25)15-19(28)27-9-7-26(8-10-27)18-14-21-1-2-23-18/h1-2,11-14H,3-10,15H2
InChIKeyPPFJRUVBEMFOCQ-UHFFFAOYSA-N
XLogP0.48
TPSA68.70 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.45
LogP ≤ 50.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[4-(5-fluoro-3-pyridinyl)piperazin-1-yl]-1-(4-pyrazin-2-ylpiperazin-1-yl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(1,1-dioxo-1,4-thiazinan-4-yl)-1-(4-pyrazin-2-ylpiperazin-1-yl)ethanone
CID 56796063
1-[4-(5-fluoro-3-pyridinyl)piperazin-1-yl]-2-(3-methylpyrrolidin-1-yl)ethanone
CID 138004925
1-(4-pyrazin-2-ylpiperazin-1-yl)propan-1-one
CID 60715497
2-[4-[(5-fluoro-3-pyridinyl)methyl]piperazin-1-yl]-1-(4-phenylpiperazin-1-yl)ethanone
CID 166601787
2-(3-amino-1,2,4-triazol-1-yl)-1-(4-pyrazin-2-ylpiperazin-1-yl)ethanone
CID 61107847
N-(4-acetamidophenyl)-2-[4-(5-fluoro-3-pyridinyl)piperazin-1-yl]acetamide
CID 100665806
1-[2-[4-(5-fluoro-3-pyridinyl)piperazin-1-yl]-2-oxoethyl]-4,6-dimethylpyrimidin-2-one
CID 154763216
N-(5-chloro-2-fluorophenyl)-2-(4-pyrazin-2-ylpiperazin-1-yl)acetamide
CID 18146893
1,2-bis(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 2813993
3-[2-oxo-2-(4-pyrazin-2-ylpiperazin-1-yl)ethyl]-1,3-thiazolidin-2-one
CID 18146014
N-(5-fluoro-2-methylphenyl)-2-(4-pyrazin-2-ylpiperazin-1-yl)acetamide
CID 18167910
1-(4-pyrazin-2-ylpiperazin-1-yl)pentan-1-one
CID 143717135

Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-fluoro-3-pyridinyl)piperazin-1-yl]-1-(4-pyrazin-2-ylpiperazin-1-yl)ethanone?
The IUPAC name of 2-[4-(5-fluoro-3-pyridinyl)piperazin-1-yl]-1-(4-pyrazin-2-ylpiperazin-1-yl)ethanone (CID 136537490) is 2-[4-(5-fluoro-3-pyridinyl)piperazin-1-yl]-1-(4-pyrazin-2-ylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-[4-(5-fluoro-3-pyridinyl)piperazin-1-yl]-1-(4-pyrazin-2-ylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-[4-(5-fluoro-3-pyridinyl)piperazin-1-yl]-1-(4-pyrazin-2-ylpiperazin-1-yl)ethanone is O=C(CN1CCN(c2cncc(F)c2)CC1)N1CCN(c2cnccn2)CC1.
What is the InChIKey of 2-[4-(5-fluoro-3-pyridinyl)piperazin-1-yl]-1-(4-pyrazin-2-ylpiperazin-1-yl)ethanone?
The InChIKey is PPFJRUVBEMFOCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN7O/c20-16-11-17(13-22-12-16)25-5-3-24(4-6-25)15-19(28)27-9-7-26(8-10-27)18-14-21-1-2-23-18/h1-2,11-14H,3-10,15H2.
What are the key properties of 2-[4-(5-fluoro-3-pyridinyl)piperazin-1-yl]-1-(4-pyrazin-2-ylpiperazin-1-yl)ethanone?
2-[4-(5-fluoro-3-pyridinyl)piperazin-1-yl]-1-(4-pyrazin-2-ylpiperazin-1-yl)ethanone has a molecular weight of 385.45 g/mol, XLogP of 0.48, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-fluoro-3-pyridinyl)piperazin-1-yl]-1-(4-pyrazin-2-ylpiperazin-1-yl)ethanone is sourced from PubChem (CID 136537490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).