[4-(6-thiophen-2-ylpyridazin-3-yl)piperazin-1-yl]-[3-(trifluoromethyl)phenyl]methanone

C20H17F3N4OS — CID 18569375

IUPAC[4-(6-thiophen-2-ylpyridazin-3-yl)piperazin-1-yl]-[3-(trifluoromethyl)phenyl]methanone
SMILESO=C(c1cccc(C(F)(F)F)c1)N1CCN(c2ccc(-c3cccs3)nn2)CC1
InChIInChI=1S/C20H17F3N4OS/c21-20(22,23)15-4-1-3-14(13-15)19(28)27-10-8-26(9-11-27)18-7-6-16(24-25-18)17-5-2-12-29-17/h1-7,12-13H,8-11H2
InChIKeyJYFPPASYBBAFCF-UHFFFAOYSA-N
MW418.44 g/mol
LogP4.19
Rot. Bonds3

About [4-(6-thiophen-2-ylpyridazin-3-yl)piperazin-1-yl]-[3-(trifluoromethyl)phenyl]methanone

[4-(6-thiophen-2-ylpyridazin-3-yl)piperazin-1-yl]-[3-(trifluoromethyl)phenyl]methanone (PubChem CID 18569375) has the molecular formula C20H17F3N4OS and a molecular weight of 418.44 g/mol. Its IUPAC name is [4-(6-thiophen-2-ylpyridazin-3-yl)piperazin-1-yl]-[3-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Name[4-(6-thiophen-2-ylpyridazin-3-yl)piperazin-1-yl]-[3-(trifluoromethyl)phenyl]methanone
PubChem CID18569375
Molecular FormulaC20H17F3N4OS
Molecular Weight418.44 g/mol
Exact Mass418.11
IUPAC Name[4-(6-thiophen-2-ylpyridazin-3-yl)piperazin-1-yl]-[3-(trifluoromethyl)phenyl]methanone
SMILESO=C(c1cccc(C(F)(F)F)c1)N1CCN(c2ccc(-c3cccs3)nn2)CC1
InChIInChI=1S/C20H17F3N4OS/c21-20(22,23)15-4-1-3-14(13-15)19(28)27-10-8-26(9-11-27)18-7-6-16(24-25-18)17-5-2-12-29-17/h1-7,12-13H,8-11H2
InChIKeyJYFPPASYBBAFCF-UHFFFAOYSA-N
XLogP4.19
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.44
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [4-(6-thiophen-2-ylpyridazin-3-yl)piperazin-1-yl]-[3-(trifluoromethyl)phenyl]methanone with MolForge

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Related Compounds

(4-(4-Phenylphthalazin-1-yl)piperazin-1-yl)(thiophen-2-yl)methanone
CID 2951813
Thiophen-2-yl-[4-(4-p-tolyl-phthalazin-1-yl)-piperazin-1-yl]-methanone
CID 6407377
(2-Chloro-6-fluorophenyl)(4-(6-(thiophen-2-yl)pyridazin-3-yl)piperazin-1-yl)methanone
CID 18569379
Thiophen-2-yl(4-(6-(thiophen-2-yl)pyridazin-3-yl)piperazin-1-yl)methanone
CID 18569380
1-(6-(thiophen-2-yl)pyridazin-3-yl)-N-(4-(trifluoromethyl)phenyl)piperidine-4-carboxamide
CID 20947277
4-(6-(thiophen-2-yl)pyridazin-3-yl)-N-(3-(trifluoromethyl)phenyl)piperazine-1-carboxamide
CID 25817096
N-(4-fluorobenzyl)-1-[6-(2-thienyl)pyridazin-3-yl]piperidine-4-carboxamide
CID 29576614
1-(6-(4-fluorophenyl)pyridazin-3-yl)-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide
CID 30866786
(2-Fluorophenyl)(4-(6-(thiophen-2-yl)pyridazin-3-yl)piperazin-1-yl)methanone
CID 41233226
(2,6-Difluorophenyl)(4-(6-(thiophen-2-yl)pyridazin-3-yl)piperazin-1-yl)methanone
CID 41233229
(4-(6-(Thiophen-2-yl)pyridazin-3-yl)piperazin-1-yl)(2-(trifluoromethyl)phenyl)methanone
CID 41233258
(4-(6-(4-Fluorophenyl)pyridazin-3-yl)piperazin-1-yl)(thiophen-2-yl)methanone
CID 42110663

Frequently Asked Questions

What is the IUPAC name of [4-(6-thiophen-2-ylpyridazin-3-yl)piperazin-1-yl]-[3-(trifluoromethyl)phenyl]methanone?
The IUPAC name of [4-(6-thiophen-2-ylpyridazin-3-yl)piperazin-1-yl]-[3-(trifluoromethyl)phenyl]methanone (CID 18569375) is [4-(6-thiophen-2-ylpyridazin-3-yl)piperazin-1-yl]-[3-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for [4-(6-thiophen-2-ylpyridazin-3-yl)piperazin-1-yl]-[3-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for [4-(6-thiophen-2-ylpyridazin-3-yl)piperazin-1-yl]-[3-(trifluoromethyl)phenyl]methanone is O=C(c1cccc(C(F)(F)F)c1)N1CCN(c2ccc(-c3cccs3)nn2)CC1.
What is the InChIKey of [4-(6-thiophen-2-ylpyridazin-3-yl)piperazin-1-yl]-[3-(trifluoromethyl)phenyl]methanone?
The InChIKey is JYFPPASYBBAFCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F3N4OS/c21-20(22,23)15-4-1-3-14(13-15)19(28)27-10-8-26(9-11-27)18-7-6-16(24-25-18)17-5-2-12-29-17/h1-7,12-13H,8-11H2.
What are the key properties of [4-(6-thiophen-2-ylpyridazin-3-yl)piperazin-1-yl]-[3-(trifluoromethyl)phenyl]methanone?
[4-(6-thiophen-2-ylpyridazin-3-yl)piperazin-1-yl]-[3-(trifluoromethyl)phenyl]methanone has a molecular weight of 418.44 g/mol, XLogP of 4.19, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(6-thiophen-2-ylpyridazin-3-yl)piperazin-1-yl]-[3-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 18569375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).