6-pyridin-4-yl-2-[2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethyl]pyridazin-3-one

C21H21F3N6O — CID 126915847

IUPAC6-pyridin-4-yl-2-[2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethyl]pyridazin-3-one
SMILESO=c1ccc(-c2ccncc2)nn1CCN1CCN(c2ccc(C(F)(F)F)cn2)CC1
InChIInChI=1S/C21H21F3N6O/c22-21(23,24)17-1-3-19(26-15-17)29-12-9-28(10-13-29)11-14-30-20(31)4-2-18(27-30)16-5-7-25-8-6-16/h1-8,15H,9-14H2
InChIKeyTYKYRJQGSDTSMJ-UHFFFAOYSA-N
MW430.43 g/mol
LogP2.54
Rot. Bonds5

About 6-pyridin-4-yl-2-[2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethyl]pyridazin-3-one

6-pyridin-4-yl-2-[2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethyl]pyridazin-3-one (PubChem CID 126915847) has the molecular formula C21H21F3N6O and a molecular weight of 430.43 g/mol. Its IUPAC name is 6-pyridin-4-yl-2-[2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethyl]pyridazin-3-one.

Molecular Properties

Compound Name6-pyridin-4-yl-2-[2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethyl]pyridazin-3-one
PubChem CID126915847
Molecular FormulaC21H21F3N6O
Molecular Weight430.43 g/mol
Exact Mass430.17
IUPAC Name6-pyridin-4-yl-2-[2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethyl]pyridazin-3-one
SMILESO=c1ccc(-c2ccncc2)nn1CCN1CCN(c2ccc(C(F)(F)F)cn2)CC1
InChIInChI=1S/C21H21F3N6O/c22-21(23,24)17-1-3-19(26-15-17)29-12-9-28(10-13-29)11-14-30-20(31)4-2-18(27-30)16-5-7-25-8-6-16/h1-8,15H,9-14H2
InChIKeyTYKYRJQGSDTSMJ-UHFFFAOYSA-N
XLogP2.54
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.43
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 6-pyridin-4-yl-2-[2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethyl]pyridazin-3-one with MolForge

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Related Compounds

6-pyridin-4-yl-2-[2-(4-pyrimidin-4-ylpiperazin-1-yl)ethyl]pyridazin-3-one
CID 126916000
2-[2-(4-pyrazin-2-ylpiperazin-1-yl)ethyl]-6-pyridin-4-ylpyridazin-3-one
CID 126915844
2-[2-[4-(3-chloro-4-pyridinyl)piperazin-1-yl]ethyl]-6-pyridin-4-ylpyridazin-3-one
CID 126915851
6-pyridin-3-yl-2-[2-[4-[6-(trifluoromethyl)pyridazin-3-yl]piperazin-1-yl]ethyl]pyridazin-3-one
CID 126915633
2-[2-[4-(6-pyrazol-1-ylpyrazin-2-yl)piperazin-1-yl]ethyl]-6-pyridin-4-ylpyridazin-3-one
CID 126916015
6-(4-chlorophenyl)-2-[2-oxo-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethyl]pyridazin-3-one
CID 121051706
6-(4-bromophenyl)-2-[2-oxo-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethyl]pyridazin-3-one
CID 121051142
6-(4-ethylphenyl)-2-[2-oxo-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethyl]pyridazin-3-one
CID 121051001
3-[4-[2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)ethyl]piperazin-1-yl]pyrazine-2-carbonitrile
CID 126915845
1-(2-pyrazol-1-ylethyl)-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine
CID 47521346
3-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]propanamide
CID 38559713
2-[2-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]ethyl]-6-pyridin-3-ylpyridazin-3-one
CID 126915576

Frequently Asked Questions

What is the IUPAC name of 6-pyridin-4-yl-2-[2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethyl]pyridazin-3-one?
The IUPAC name of 6-pyridin-4-yl-2-[2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethyl]pyridazin-3-one (CID 126915847) is 6-pyridin-4-yl-2-[2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethyl]pyridazin-3-one.
What is the SMILES notation for 6-pyridin-4-yl-2-[2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethyl]pyridazin-3-one?
The canonical SMILES for 6-pyridin-4-yl-2-[2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethyl]pyridazin-3-one is O=c1ccc(-c2ccncc2)nn1CCN1CCN(c2ccc(C(F)(F)F)cn2)CC1.
What is the InChIKey of 6-pyridin-4-yl-2-[2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethyl]pyridazin-3-one?
The InChIKey is TYKYRJQGSDTSMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F3N6O/c22-21(23,24)17-1-3-19(26-15-17)29-12-9-28(10-13-29)11-14-30-20(31)4-2-18(27-30)16-5-7-25-8-6-16/h1-8,15H,9-14H2.
What are the key properties of 6-pyridin-4-yl-2-[2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethyl]pyridazin-3-one?
6-pyridin-4-yl-2-[2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethyl]pyridazin-3-one has a molecular weight of 430.43 g/mol, XLogP of 2.54, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-pyridin-4-yl-2-[2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethyl]pyridazin-3-one is sourced from PubChem (CID 126915847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).