[4-[6-(4-methylphenyl)pyridazin-3-yl]piperazin-1-yl]-thiophen-2-ylmethanone

C20H20N4OS — CID 42110651

IUPAC[4-[6-(4-methylphenyl)pyridazin-3-yl]piperazin-1-yl]-thiophen-2-ylmethanone
SMILESCc1ccc(-c2ccc(N3CCN(C(=O)c4cccs4)CC3)nn2)cc1
InChIInChI=1S/C20H20N4OS/c1-15-4-6-16(7-5-15)17-8-9-19(22-21-17)23-10-12-24(13-11-23)20(25)18-3-2-14-26-18/h2-9,14H,10-13H2,1H3
InChIKeyYPXKSGUTRMLZLK-UHFFFAOYSA-N
MW364.47 g/mol
LogP3.48
Rot. Bonds3

About [4-[6-(4-methylphenyl)pyridazin-3-yl]piperazin-1-yl]-thiophen-2-ylmethanone

[4-[6-(4-methylphenyl)pyridazin-3-yl]piperazin-1-yl]-thiophen-2-ylmethanone (PubChem CID 42110651) has the molecular formula C20H20N4OS and a molecular weight of 364.47 g/mol. Its IUPAC name is [4-[6-(4-methylphenyl)pyridazin-3-yl]piperazin-1-yl]-thiophen-2-ylmethanone.

Molecular Properties

Compound Name[4-[6-(4-methylphenyl)pyridazin-3-yl]piperazin-1-yl]-thiophen-2-ylmethanone
PubChem CID42110651
Molecular FormulaC20H20N4OS
Molecular Weight364.47 g/mol
Exact Mass364.14
IUPAC Name[4-[6-(4-methylphenyl)pyridazin-3-yl]piperazin-1-yl]-thiophen-2-ylmethanone
SMILESCc1ccc(-c2ccc(N3CCN(C(=O)c4cccs4)CC3)nn2)cc1
InChIInChI=1S/C20H20N4OS/c1-15-4-6-16(7-5-15)17-8-9-19(22-21-17)23-10-12-24(13-11-23)20(25)18-3-2-14-26-18/h2-9,14H,10-13H2,1H3
InChIKeyYPXKSGUTRMLZLK-UHFFFAOYSA-N
XLogP3.48
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.47
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(6-piperidin-1-ylpyridazin-3-yl)piperazin-1-yl]-thiophen-2-ylmethanone
CID 7292425
N-[(2S)-butan-2-yl]-N-[2-[4-[6-(4-methylphenyl)pyridazin-3-yl]-1,4-diazepan-1-yl]-2-oxoethyl]thiophene-2-carboxamide
CID 93156569
[4-[6-(4-methylphenyl)pyridazin-3-yl]piperazin-1-yl]-quinolin-2-ylmethanone
CID 42110657
2-amino-2-(4-methylphenyl)-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone
CID 120666745
(4-quinolin-2-ylpiperazin-1-yl)-thiophen-2-ylmethanone
CID 108741624
[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]piperazin-1-yl]-(4-methylthiophen-2-yl)methanone
CID 122336406
N-[2-[4-[6-(4-methoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-N-propylthiophene-2-carboxamide
CID 46147144
1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone
CID 60635968
N-(4-methylphenyl)-6-[4-(thiophene-2-carbonyl)-1,4-diazepan-1-yl]pyridine-3-carboxamide
CID 133302669
[4-(2-methyl-6-propan-2-yloxypyrimidin-4-yl)piperazin-1-yl]-thiophen-2-ylmethanone
CID 42473390
[4-[6-(dimethylamino)-2-methylpyrimidin-4-yl]piperazin-1-yl]-thiophen-2-ylmethanone
CID 122340190
[4-[6-(azepan-1-yl)pyridazin-3-yl]piperazin-1-yl]-(4-methylthiophen-2-yl)methanone
CID 122334961

Frequently Asked Questions

What is the IUPAC name of [4-[6-(4-methylphenyl)pyridazin-3-yl]piperazin-1-yl]-thiophen-2-ylmethanone?
The IUPAC name of [4-[6-(4-methylphenyl)pyridazin-3-yl]piperazin-1-yl]-thiophen-2-ylmethanone (CID 42110651) is [4-[6-(4-methylphenyl)pyridazin-3-yl]piperazin-1-yl]-thiophen-2-ylmethanone.
What is the SMILES notation for [4-[6-(4-methylphenyl)pyridazin-3-yl]piperazin-1-yl]-thiophen-2-ylmethanone?
The canonical SMILES for [4-[6-(4-methylphenyl)pyridazin-3-yl]piperazin-1-yl]-thiophen-2-ylmethanone is Cc1ccc(-c2ccc(N3CCN(C(=O)c4cccs4)CC3)nn2)cc1.
What is the InChIKey of [4-[6-(4-methylphenyl)pyridazin-3-yl]piperazin-1-yl]-thiophen-2-ylmethanone?
The InChIKey is YPXKSGUTRMLZLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4OS/c1-15-4-6-16(7-5-15)17-8-9-19(22-21-17)23-10-12-24(13-11-23)20(25)18-3-2-14-26-18/h2-9,14H,10-13H2,1H3.
What are the key properties of [4-[6-(4-methylphenyl)pyridazin-3-yl]piperazin-1-yl]-thiophen-2-ylmethanone?
[4-[6-(4-methylphenyl)pyridazin-3-yl]piperazin-1-yl]-thiophen-2-ylmethanone has a molecular weight of 364.47 g/mol, XLogP of 3.48, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[6-(4-methylphenyl)pyridazin-3-yl]piperazin-1-yl]-thiophen-2-ylmethanone is sourced from PubChem (CID 42110651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).