N-(3,4-dimethylphenyl)-2-[6-[4-(4-fluorophenyl)piperazin-1-yl]pyridazin-3-yl]sulfanylacetamide

C24H26FN5OS — CID 53108943

IUPACN-(3,4-dimethylphenyl)-2-[6-[4-(4-fluorophenyl)piperazin-1-yl]pyridazin-3-yl]sulfanylacetamide
SMILESCc1ccc(NC(=O)CSc2ccc(N3CCN(c4ccc(F)cc4)CC3)nn2)cc1C
InChIInChI=1S/C24H26FN5OS/c1-17-3-6-20(15-18(17)2)26-23(31)16-32-24-10-9-22(27-28-24)30-13-11-29(12-14-30)21-7-4-19(25)5-8-21/h3-10,15H,11-14,16H2,1-2H3,(H,26,31)
InChIKeyZIDJIQKCZIWOKS-UHFFFAOYSA-N
MW451.57 g/mol
LogP4.29
Rot. Bonds6

About N-(3,4-dimethylphenyl)-2-[6-[4-(4-fluorophenyl)piperazin-1-yl]pyridazin-3-yl]sulfanylacetamide

N-(3,4-dimethylphenyl)-2-[6-[4-(4-fluorophenyl)piperazin-1-yl]pyridazin-3-yl]sulfanylacetamide (PubChem CID 53108943) has the molecular formula C24H26FN5OS and a molecular weight of 451.57 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-2-[6-[4-(4-fluorophenyl)piperazin-1-yl]pyridazin-3-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-2-[6-[4-(4-fluorophenyl)piperazin-1-yl]pyridazin-3-yl]sulfanylacetamide
PubChem CID53108943
Molecular FormulaC24H26FN5OS
Molecular Weight451.57 g/mol
Exact Mass451.18
IUPAC NameN-(3,4-dimethylphenyl)-2-[6-[4-(4-fluorophenyl)piperazin-1-yl]pyridazin-3-yl]sulfanylacetamide
SMILESCc1ccc(NC(=O)CSc2ccc(N3CCN(c4ccc(F)cc4)CC3)nn2)cc1C
InChIInChI=1S/C24H26FN5OS/c1-17-3-6-20(15-18(17)2)26-23(31)16-32-24-10-9-22(27-28-24)30-13-11-29(12-14-30)21-7-4-19(25)5-8-21/h3-10,15H,11-14,16H2,1-2H3,(H,26,31)
InChIKeyZIDJIQKCZIWOKS-UHFFFAOYSA-N
XLogP4.29
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.57
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-ethylphenyl)-2-[6-[4-(4-fluorophenyl)piperazin-1-yl]pyridazin-3-yl]sulfanylacetamide
CID 53108952
N-(3,5-dimethoxyphenyl)-2-[6-[4-(4-fluorophenyl)piperazin-1-yl]pyridazin-3-yl]sulfanylacetamide
CID 53108933
N-(1,3-benzodioxol-5-yl)-2-[6-[4-(4-fluorophenyl)piperazin-1-yl]pyridazin-3-yl]sulfanylacetamide
CID 53108939
N-(3,4-dimethylphenyl)-3-[4-(4-fluorophenyl)piperazin-1-yl]propanamide
CID 109027329
1-[6-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]sulfanylpyridazin-3-yl]-N-propylpiperidine-4-carboxamide
CID 50826298
2-[6-[4-(2,5-dimethylphenyl)piperazin-1-yl]pyridazin-3-yl]sulfanyl-N-phenylacetamide
CID 53109043
N-(4-methoxyphenyl)-2-[6-[4-(2-methoxyphenyl)piperazin-1-yl]pyridazin-3-yl]sulfanylacetamide
CID 53109106
2-[4-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidin-2-yl]sulfanyl-N-(4-methylphenyl)acetamide
CID 50843502
2-[[4-(3,4-dimethylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-fluorophenyl)acetamide
CID 1316204
6-[4-(4-fluorophenyl)piperazin-1-yl]-N-(4-methylphenyl)pyridazine-3-carboxamide
CID 109123192
N-(3,4-dimethylphenyl)-2-[4-(4-fluorophenyl)-3-oxopyrazin-2-yl]sulfanylacetamide
CID 20941833
2-[3-[4-(4-fluorophenyl)piperazin-1-yl]-6-oxopyridazin-1-yl]-N-(3-methylphenyl)acetamide
CID 53023524

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-2-[6-[4-(4-fluorophenyl)piperazin-1-yl]pyridazin-3-yl]sulfanylacetamide?
The IUPAC name of N-(3,4-dimethylphenyl)-2-[6-[4-(4-fluorophenyl)piperazin-1-yl]pyridazin-3-yl]sulfanylacetamide (CID 53108943) is N-(3,4-dimethylphenyl)-2-[6-[4-(4-fluorophenyl)piperazin-1-yl]pyridazin-3-yl]sulfanylacetamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-2-[6-[4-(4-fluorophenyl)piperazin-1-yl]pyridazin-3-yl]sulfanylacetamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-2-[6-[4-(4-fluorophenyl)piperazin-1-yl]pyridazin-3-yl]sulfanylacetamide is Cc1ccc(NC(=O)CSc2ccc(N3CCN(c4ccc(F)cc4)CC3)nn2)cc1C.
What is the InChIKey of N-(3,4-dimethylphenyl)-2-[6-[4-(4-fluorophenyl)piperazin-1-yl]pyridazin-3-yl]sulfanylacetamide?
The InChIKey is ZIDJIQKCZIWOKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN5OS/c1-17-3-6-20(15-18(17)2)26-23(31)16-32-24-10-9-22(27-28-24)30-13-11-29(12-14-30)21-7-4-19(25)5-8-21/h3-10,15H,11-14,16H2,1-2H3,(H,26,31).
What are the key properties of N-(3,4-dimethylphenyl)-2-[6-[4-(4-fluorophenyl)piperazin-1-yl]pyridazin-3-yl]sulfanylacetamide?
N-(3,4-dimethylphenyl)-2-[6-[4-(4-fluorophenyl)piperazin-1-yl]pyridazin-3-yl]sulfanylacetamide has a molecular weight of 451.57 g/mol, XLogP of 4.29, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-2-[6-[4-(4-fluorophenyl)piperazin-1-yl]pyridazin-3-yl]sulfanylacetamide is sourced from PubChem (CID 53108943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).