2-(4-pyrazin-2-ylpiperazin-1-yl)-1-[4-[2-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]ethanone

C22H24F3N5O — CID 10455432

IUPAC2-(4-pyrazin-2-ylpiperazin-1-yl)-1-[4-[2-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]ethanone
SMILESO=C(CN1CCN(c2cnccn2)CC1)N1CC=C(c2ccccc2C(F)(F)F)CC1
InChIInChI=1S/C22H24F3N5O/c23-22(24,25)19-4-2-1-3-18(19)17-5-9-30(10-6-17)21(31)16-28-11-13-29(14-12-28)20-15-26-7-8-27-20/h1-5,7-8,15H,6,9-14,16H2
InChIKeyFZLTUFVUWCCUCV-UHFFFAOYSA-N
MW431.46 g/mol
LogP2.93
Rot. Bonds4

About 2-(4-pyrazin-2-ylpiperazin-1-yl)-1-[4-[2-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]ethanone

2-(4-pyrazin-2-ylpiperazin-1-yl)-1-[4-[2-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]ethanone (PubChem CID 10455432) has the molecular formula C22H24F3N5O and a molecular weight of 431.46 g/mol. Its IUPAC name is 2-(4-pyrazin-2-ylpiperazin-1-yl)-1-[4-[2-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]ethanone.

Molecular Properties

Compound Name2-(4-pyrazin-2-ylpiperazin-1-yl)-1-[4-[2-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]ethanone
PubChem CID10455432
Molecular FormulaC22H24F3N5O
Molecular Weight431.46 g/mol
Exact Mass431.19
IUPAC Name2-(4-pyrazin-2-ylpiperazin-1-yl)-1-[4-[2-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]ethanone
SMILESO=C(CN1CCN(c2cnccn2)CC1)N1CC=C(c2ccccc2C(F)(F)F)CC1
InChIInChI=1S/C22H24F3N5O/c23-22(24,25)19-4-2-1-3-18(19)17-5-9-30(10-6-17)21(31)16-28-11-13-29(14-12-28)20-15-26-7-8-27-20/h1-5,7-8,15H,6,9-14,16H2
InChIKeyFZLTUFVUWCCUCV-UHFFFAOYSA-N
XLogP2.93
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.46
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-pyrazin-2-ylpiperazin-1-yl)-1-[4-[2-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]ethanone?
The IUPAC name of 2-(4-pyrazin-2-ylpiperazin-1-yl)-1-[4-[2-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]ethanone (CID 10455432) is 2-(4-pyrazin-2-ylpiperazin-1-yl)-1-[4-[2-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]ethanone.
What is the SMILES notation for 2-(4-pyrazin-2-ylpiperazin-1-yl)-1-[4-[2-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]ethanone?
The canonical SMILES for 2-(4-pyrazin-2-ylpiperazin-1-yl)-1-[4-[2-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]ethanone is O=C(CN1CCN(c2cnccn2)CC1)N1CC=C(c2ccccc2C(F)(F)F)CC1.
What is the InChIKey of 2-(4-pyrazin-2-ylpiperazin-1-yl)-1-[4-[2-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]ethanone?
The InChIKey is FZLTUFVUWCCUCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F3N5O/c23-22(24,25)19-4-2-1-3-18(19)17-5-9-30(10-6-17)21(31)16-28-11-13-29(14-12-28)20-15-26-7-8-27-20/h1-5,7-8,15H,6,9-14,16H2.
What are the key properties of 2-(4-pyrazin-2-ylpiperazin-1-yl)-1-[4-[2-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]ethanone?
2-(4-pyrazin-2-ylpiperazin-1-yl)-1-[4-[2-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]ethanone has a molecular weight of 431.46 g/mol, XLogP of 2.93, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-pyrazin-2-ylpiperazin-1-yl)-1-[4-[2-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]ethanone is sourced from PubChem (CID 10455432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).