1-[4-[6-(furan-2-yl)pyridazin-3-yl]piperazin-1-yl]-3-phenylsulfanylpropan-1-one

C21H22N4O2S — CID 41233208

IUPAC1-[4-[6-(furan-2-yl)pyridazin-3-yl]piperazin-1-yl]-3-phenylsulfanylpropan-1-one
SMILESO=C(CCSc1ccccc1)N1CCN(c2ccc(-c3ccco3)nn2)CC1
InChIInChI=1S/C21H22N4O2S/c26-21(10-16-28-17-5-2-1-3-6-17)25-13-11-24(12-14-25)20-9-8-18(22-23-20)19-7-4-15-27-19/h1-9,15H,10-14,16H2
InChIKeyCKFZTFKHNVFTOB-UHFFFAOYSA-N
MW394.50 g/mol
LogP3.57
Rot. Bonds6

About 1-[4-[6-(furan-2-yl)pyridazin-3-yl]piperazin-1-yl]-3-phenylsulfanylpropan-1-one

1-[4-[6-(furan-2-yl)pyridazin-3-yl]piperazin-1-yl]-3-phenylsulfanylpropan-1-one (PubChem CID 41233208) has the molecular formula C21H22N4O2S and a molecular weight of 394.50 g/mol. Its IUPAC name is 1-[4-[6-(furan-2-yl)pyridazin-3-yl]piperazin-1-yl]-3-phenylsulfanylpropan-1-one.

Molecular Properties

Compound Name1-[4-[6-(furan-2-yl)pyridazin-3-yl]piperazin-1-yl]-3-phenylsulfanylpropan-1-one
PubChem CID41233208
Molecular FormulaC21H22N4O2S
Molecular Weight394.50 g/mol
Exact Mass394.15
IUPAC Name1-[4-[6-(furan-2-yl)pyridazin-3-yl]piperazin-1-yl]-3-phenylsulfanylpropan-1-one
SMILESO=C(CCSc1ccccc1)N1CCN(c2ccc(-c3ccco3)nn2)CC1
InChIInChI=1S/C21H22N4O2S/c26-21(10-16-28-17-5-2-1-3-6-17)25-13-11-24(12-14-25)20-9-8-18(22-23-20)19-7-4-15-27-19/h1-9,15H,10-14,16H2
InChIKeyCKFZTFKHNVFTOB-UHFFFAOYSA-N
XLogP3.57
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.50
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4-[6-(furan-2-yl)pyridazin-3-yl]piperazin-1-yl]propan-1-one
CID 40804995
1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-3-phenylsulfanylpropan-1-one
CID 121060504
cyclopropyl-[4-[6-(furan-2-yl)pyridazin-3-yl]piperazin-1-yl]methanone
CID 40804993
3-[2-[4-[6-(furan-2-yl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]quinazolin-4-one
CID 121058782
6-(furan-2-yl)-2-[2-oxo-2-[4-(6-pyridin-2-ylpyridazin-3-yl)piperazin-1-yl]ethyl]pyridazin-3-one
CID 121058557
[4-[6-(furan-2-yl)pyridazin-3-yl]piperazin-1-yl]-(4-methoxyphenyl)methanone
CID 16812511
[4-[6-(furan-2-yl)pyridazin-3-yl]piperazin-1-yl]-(4-methylthiadiazol-5-yl)methanone
CID 121058795
[4-[6-(furan-2-yl)pyridazin-3-yl]piperazin-1-yl]-(2-methyl-2,3-dihydro-1,4-benzodioxin-3-yl)methanone
CID 121058794
1-[4-(2-chlorophenyl)piperazin-1-yl]-3-phenylsulfanylpropan-1-one
CID 78782073
[1-[6-(furan-2-yl)pyridazin-3-yl]piperidin-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 30364279
[4-(4-chlorophenyl)piperazin-1-yl]-[1-[6-(furan-2-yl)pyridazin-3-yl]piperidin-4-yl]methanone
CID 121071687
1,3-benzodioxol-5-yl-[4-[6-(furan-2-yl)pyridazin-3-yl]piperazin-1-yl]methanone
CID 18569361

Frequently Asked Questions

What is the IUPAC name of 1-[4-[6-(furan-2-yl)pyridazin-3-yl]piperazin-1-yl]-3-phenylsulfanylpropan-1-one?
The IUPAC name of 1-[4-[6-(furan-2-yl)pyridazin-3-yl]piperazin-1-yl]-3-phenylsulfanylpropan-1-one (CID 41233208) is 1-[4-[6-(furan-2-yl)pyridazin-3-yl]piperazin-1-yl]-3-phenylsulfanylpropan-1-one.
What is the SMILES notation for 1-[4-[6-(furan-2-yl)pyridazin-3-yl]piperazin-1-yl]-3-phenylsulfanylpropan-1-one?
The canonical SMILES for 1-[4-[6-(furan-2-yl)pyridazin-3-yl]piperazin-1-yl]-3-phenylsulfanylpropan-1-one is O=C(CCSc1ccccc1)N1CCN(c2ccc(-c3ccco3)nn2)CC1.
What is the InChIKey of 1-[4-[6-(furan-2-yl)pyridazin-3-yl]piperazin-1-yl]-3-phenylsulfanylpropan-1-one?
The InChIKey is CKFZTFKHNVFTOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2S/c26-21(10-16-28-17-5-2-1-3-6-17)25-13-11-24(12-14-25)20-9-8-18(22-23-20)19-7-4-15-27-19/h1-9,15H,10-14,16H2.
What are the key properties of 1-[4-[6-(furan-2-yl)pyridazin-3-yl]piperazin-1-yl]-3-phenylsulfanylpropan-1-one?
1-[4-[6-(furan-2-yl)pyridazin-3-yl]piperazin-1-yl]-3-phenylsulfanylpropan-1-one has a molecular weight of 394.50 g/mol, XLogP of 3.57, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[6-(furan-2-yl)pyridazin-3-yl]piperazin-1-yl]-3-phenylsulfanylpropan-1-one is sourced from PubChem (CID 41233208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).