N-(3,5-dimethoxyphenyl)-2-[6-[4-(4-fluorophenyl)piperazin-1-yl]pyridazin-3-yl]sulfanylacetamide

C24H26FN5O3S — CID 53108933

IUPACN-(3,5-dimethoxyphenyl)-2-[6-[4-(4-fluorophenyl)piperazin-1-yl]pyridazin-3-yl]sulfanylacetamide
SMILESCOc1cc(NC(=O)CSc2ccc(N3CCN(c4ccc(F)cc4)CC3)nn2)cc(OC)c1
InChIInChI=1S/C24H26FN5O3S/c1-32-20-13-18(14-21(15-20)33-2)26-23(31)16-34-24-8-7-22(27-28-24)30-11-9-29(10-12-30)19-5-3-17(25)4-6-19/h3-8,13-15H,9-12,16H2,1-2H3,(H,26,31)
InChIKeyOJGVHCQUFQITGM-UHFFFAOYSA-N
MW483.57 g/mol
LogP3.69
Rot. Bonds8

About N-(3,5-dimethoxyphenyl)-2-[6-[4-(4-fluorophenyl)piperazin-1-yl]pyridazin-3-yl]sulfanylacetamide

N-(3,5-dimethoxyphenyl)-2-[6-[4-(4-fluorophenyl)piperazin-1-yl]pyridazin-3-yl]sulfanylacetamide (PubChem CID 53108933) has the molecular formula C24H26FN5O3S and a molecular weight of 483.57 g/mol. Its IUPAC name is N-(3,5-dimethoxyphenyl)-2-[6-[4-(4-fluorophenyl)piperazin-1-yl]pyridazin-3-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(3,5-dimethoxyphenyl)-2-[6-[4-(4-fluorophenyl)piperazin-1-yl]pyridazin-3-yl]sulfanylacetamide
PubChem CID53108933
Molecular FormulaC24H26FN5O3S
Molecular Weight483.57 g/mol
Exact Mass483.17
IUPAC NameN-(3,5-dimethoxyphenyl)-2-[6-[4-(4-fluorophenyl)piperazin-1-yl]pyridazin-3-yl]sulfanylacetamide
SMILESCOc1cc(NC(=O)CSc2ccc(N3CCN(c4ccc(F)cc4)CC3)nn2)cc(OC)c1
InChIInChI=1S/C24H26FN5O3S/c1-32-20-13-18(14-21(15-20)33-2)26-23(31)16-34-24-8-7-22(27-28-24)30-11-9-29(10-12-30)19-5-3-17(25)4-6-19/h3-8,13-15H,9-12,16H2,1-2H3,(H,26,31)
InChIKeyOJGVHCQUFQITGM-UHFFFAOYSA-N
XLogP3.69
TPSA79.82 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.57
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-(3,4-dimethylphenyl)-2-[6-[4-(4-fluorophenyl)piperazin-1-yl]pyridazin-3-yl]sulfanylacetamide
CID 53108943
N-(4-ethylphenyl)-2-[6-[4-(4-fluorophenyl)piperazin-1-yl]pyridazin-3-yl]sulfanylacetamide
CID 53108952
N-(1,3-benzodioxol-5-yl)-2-[6-[4-(4-fluorophenyl)piperazin-1-yl]pyridazin-3-yl]sulfanylacetamide
CID 53108939
N-(4-methoxyphenyl)-2-[6-[4-(2-methoxyphenyl)piperazin-1-yl]pyridazin-3-yl]sulfanylacetamide
CID 53109106
N-(4-methoxyphenyl)-2-[6-[4-(piperidine-1-carbonyl)piperidin-1-yl]pyridazin-3-yl]sulfanylacetamide
CID 50826054
2-[6-[4-(2,5-dimethylphenyl)piperazin-1-yl]pyridazin-3-yl]sulfanyl-N-phenylacetamide
CID 53109043
N-(2,4-dimethylphenyl)-2-[6-[4-(2-methoxyphenyl)piperazin-1-yl]pyridazin-3-yl]sulfanylacetamide
CID 53109092
N-(3,4-dimethoxyphenyl)-2-[4-[4-(4-methoxyphenyl)piperazin-1-yl]pyrimidin-2-yl]sulfanylacetamide
CID 50843614
N-(3,5-dimethylphenyl)-2-[6-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]pyridazin-3-yl]sulfanylacetamide
CID 50826024
N-(3,5-dimethoxyphenyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide
CID 121027738
N-[4-[2-(3,5-dimethoxyanilino)-2-oxoethyl]sulfanylphenyl]-4-fluorobenzamide
CID 22781220
N-(2,3-dimethylphenyl)-2-[6-[4-(2-methoxyphenyl)piperazin-1-yl]pyridazin-3-yl]sulfanylacetamide
CID 53002971

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethoxyphenyl)-2-[6-[4-(4-fluorophenyl)piperazin-1-yl]pyridazin-3-yl]sulfanylacetamide?
The IUPAC name of N-(3,5-dimethoxyphenyl)-2-[6-[4-(4-fluorophenyl)piperazin-1-yl]pyridazin-3-yl]sulfanylacetamide (CID 53108933) is N-(3,5-dimethoxyphenyl)-2-[6-[4-(4-fluorophenyl)piperazin-1-yl]pyridazin-3-yl]sulfanylacetamide.
What is the SMILES notation for N-(3,5-dimethoxyphenyl)-2-[6-[4-(4-fluorophenyl)piperazin-1-yl]pyridazin-3-yl]sulfanylacetamide?
The canonical SMILES for N-(3,5-dimethoxyphenyl)-2-[6-[4-(4-fluorophenyl)piperazin-1-yl]pyridazin-3-yl]sulfanylacetamide is COc1cc(NC(=O)CSc2ccc(N3CCN(c4ccc(F)cc4)CC3)nn2)cc(OC)c1.
What is the InChIKey of N-(3,5-dimethoxyphenyl)-2-[6-[4-(4-fluorophenyl)piperazin-1-yl]pyridazin-3-yl]sulfanylacetamide?
The InChIKey is OJGVHCQUFQITGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN5O3S/c1-32-20-13-18(14-21(15-20)33-2)26-23(31)16-34-24-8-7-22(27-28-24)30-11-9-29(10-12-30)19-5-3-17(25)4-6-19/h3-8,13-15H,9-12,16H2,1-2H3,(H,26,31).
What are the key properties of N-(3,5-dimethoxyphenyl)-2-[6-[4-(4-fluorophenyl)piperazin-1-yl]pyridazin-3-yl]sulfanylacetamide?
N-(3,5-dimethoxyphenyl)-2-[6-[4-(4-fluorophenyl)piperazin-1-yl]pyridazin-3-yl]sulfanylacetamide has a molecular weight of 483.57 g/mol, XLogP of 3.69, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethoxyphenyl)-2-[6-[4-(4-fluorophenyl)piperazin-1-yl]pyridazin-3-yl]sulfanylacetamide is sourced from PubChem (CID 53108933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).