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

C22H19BrF3N5O2 — CID 121051142

IUPAC6-(4-bromophenyl)-2-[2-oxo-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethyl]pyridazin-3-one
SMILESO=C(Cn1nc(-c2ccc(Br)cc2)ccc1=O)N1CCN(c2ccc(C(F)(F)F)cn2)CC1
InChIInChI=1S/C22H19BrF3N5O2/c23-17-4-1-15(2-5-17)18-6-8-20(32)31(28-18)14-21(33)30-11-9-29(10-12-30)19-7-3-16(13-27-19)22(24,25)26/h1-8,13H,9-12,14H2
InChIKeyYOIMVSCQDOJMEI-UHFFFAOYSA-N
MW522.33 g/mol
LogP3.44
Rot. Bonds4

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

6-(4-bromophenyl)-2-[2-oxo-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethyl]pyridazin-3-one (PubChem CID 121051142) has the molecular formula C22H19BrF3N5O2 and a molecular weight of 522.33 g/mol. Its IUPAC name is 6-(4-bromophenyl)-2-[2-oxo-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethyl]pyridazin-3-one.

Molecular Properties

Compound Name6-(4-bromophenyl)-2-[2-oxo-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethyl]pyridazin-3-one
PubChem CID121051142
Molecular FormulaC22H19BrF3N5O2
Molecular Weight522.33 g/mol
Exact Mass521.07
IUPAC Name6-(4-bromophenyl)-2-[2-oxo-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethyl]pyridazin-3-one
SMILESO=C(Cn1nc(-c2ccc(Br)cc2)ccc1=O)N1CCN(c2ccc(C(F)(F)F)cn2)CC1
InChIInChI=1S/C22H19BrF3N5O2/c23-17-4-1-15(2-5-17)18-6-8-20(32)31(28-18)14-21(33)30-11-9-29(10-12-30)19-7-3-16(13-27-19)22(24,25)26/h1-8,13H,9-12,14H2
InChIKeyYOIMVSCQDOJMEI-UHFFFAOYSA-N
XLogP3.44
TPSA71.33 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500522.33
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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Related Compounds

6-(4-chlorophenyl)-2-[2-oxo-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethyl]pyridazin-3-one
CID 121051706
6-(4-ethylphenyl)-2-[2-oxo-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethyl]pyridazin-3-one
CID 121051001
6-(4-bromophenyl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)pyridazin-3-one
CID 7663524
6-pyridin-4-yl-2-[2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethyl]pyridazin-3-one
CID 126915847
2-[2-(4-benzhydrylpiperazin-1-yl)-2-oxoethyl]-6-(4-bromophenyl)pyridazin-3-one
CID 121051087
2-(6-bromonaphthalen-2-yl)oxy-1-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethanone
CID 55733510
2-[2-oxo-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]-6-pyridin-4-ylpyridazin-3-one
CID 121052702
1-(azepan-1-yl)-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethanone
CID 78788182
6-(4-fluorophenyl)-2-[2-oxo-2-[4-(6-phenylpyrimidin-4-yl)piperazin-1-yl]ethyl]pyridazin-3-one
CID 90516792
N-[2-oxo-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethyl]propanamide
CID 37096307
4-methyl-1-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pentan-1-one
CID 78772282
3-[2-oxo-2-[4-[5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepan-1-yl]ethyl]-1,3-thiazolidin-4-one
CID 55414455

Frequently Asked Questions

What is the IUPAC name of 6-(4-bromophenyl)-2-[2-oxo-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethyl]pyridazin-3-one?
The IUPAC name of 6-(4-bromophenyl)-2-[2-oxo-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethyl]pyridazin-3-one (CID 121051142) is 6-(4-bromophenyl)-2-[2-oxo-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethyl]pyridazin-3-one.
What is the SMILES notation for 6-(4-bromophenyl)-2-[2-oxo-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethyl]pyridazin-3-one?
The canonical SMILES for 6-(4-bromophenyl)-2-[2-oxo-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethyl]pyridazin-3-one is O=C(Cn1nc(-c2ccc(Br)cc2)ccc1=O)N1CCN(c2ccc(C(F)(F)F)cn2)CC1.
What is the InChIKey of 6-(4-bromophenyl)-2-[2-oxo-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethyl]pyridazin-3-one?
The InChIKey is YOIMVSCQDOJMEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19BrF3N5O2/c23-17-4-1-15(2-5-17)18-6-8-20(32)31(28-18)14-21(33)30-11-9-29(10-12-30)19-7-3-16(13-27-19)22(24,25)26/h1-8,13H,9-12,14H2.
What are the key properties of 6-(4-bromophenyl)-2-[2-oxo-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethyl]pyridazin-3-one?
6-(4-bromophenyl)-2-[2-oxo-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethyl]pyridazin-3-one has a molecular weight of 522.33 g/mol, XLogP of 3.44, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-bromophenyl)-2-[2-oxo-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethyl]pyridazin-3-one is sourced from PubChem (CID 121051142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).