2-[6-(4-methoxyphenyl)pyridazin-3-yl]sulfanyl-1-(4-phenylpiperazin-1-yl)ethanone

C23H24N4O2S — CID 7162170

IUPAC2-[6-(4-methoxyphenyl)pyridazin-3-yl]sulfanyl-1-(4-phenylpiperazin-1-yl)ethanone
SMILESCOc1ccc(-c2ccc(SCC(=O)N3CCN(c4ccccc4)CC3)nn2)cc1
InChIInChI=1S/C23H24N4O2S/c1-29-20-9-7-18(8-10-20)21-11-12-22(25-24-21)30-17-23(28)27-15-13-26(14-16-27)19-5-3-2-4-6-19/h2-12H,13-17H2,1H3
InChIKeyCDQWIKPKLMDKAT-UHFFFAOYSA-N
MW420.54 g/mol
LogP3.59
Rot. Bonds6

About 2-[6-(4-methoxyphenyl)pyridazin-3-yl]sulfanyl-1-(4-phenylpiperazin-1-yl)ethanone

2-[6-(4-methoxyphenyl)pyridazin-3-yl]sulfanyl-1-(4-phenylpiperazin-1-yl)ethanone (PubChem CID 7162170) has the molecular formula C23H24N4O2S and a molecular weight of 420.54 g/mol. Its IUPAC name is 2-[6-(4-methoxyphenyl)pyridazin-3-yl]sulfanyl-1-(4-phenylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-[6-(4-methoxyphenyl)pyridazin-3-yl]sulfanyl-1-(4-phenylpiperazin-1-yl)ethanone
PubChem CID7162170
Molecular FormulaC23H24N4O2S
Molecular Weight420.54 g/mol
Exact Mass420.16
IUPAC Name2-[6-(4-methoxyphenyl)pyridazin-3-yl]sulfanyl-1-(4-phenylpiperazin-1-yl)ethanone
SMILESCOc1ccc(-c2ccc(SCC(=O)N3CCN(c4ccccc4)CC3)nn2)cc1
InChIInChI=1S/C23H24N4O2S/c1-29-20-9-7-18(8-10-20)21-11-12-22(25-24-21)30-17-23(28)27-15-13-26(14-16-27)19-5-3-2-4-6-19/h2-12H,13-17H2,1H3
InChIKeyCDQWIKPKLMDKAT-UHFFFAOYSA-N
XLogP3.59
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.54
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(4-methoxyphenyl)pyridazin-3-yl]sulfanyl-1-(4-phenylpiperazin-1-yl)ethanone?
The IUPAC name of 2-[6-(4-methoxyphenyl)pyridazin-3-yl]sulfanyl-1-(4-phenylpiperazin-1-yl)ethanone (CID 7162170) is 2-[6-(4-methoxyphenyl)pyridazin-3-yl]sulfanyl-1-(4-phenylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-[6-(4-methoxyphenyl)pyridazin-3-yl]sulfanyl-1-(4-phenylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-[6-(4-methoxyphenyl)pyridazin-3-yl]sulfanyl-1-(4-phenylpiperazin-1-yl)ethanone is COc1ccc(-c2ccc(SCC(=O)N3CCN(c4ccccc4)CC3)nn2)cc1.
What is the InChIKey of 2-[6-(4-methoxyphenyl)pyridazin-3-yl]sulfanyl-1-(4-phenylpiperazin-1-yl)ethanone?
The InChIKey is CDQWIKPKLMDKAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O2S/c1-29-20-9-7-18(8-10-20)21-11-12-22(25-24-21)30-17-23(28)27-15-13-26(14-16-27)19-5-3-2-4-6-19/h2-12H,13-17H2,1H3.
What are the key properties of 2-[6-(4-methoxyphenyl)pyridazin-3-yl]sulfanyl-1-(4-phenylpiperazin-1-yl)ethanone?
2-[6-(4-methoxyphenyl)pyridazin-3-yl]sulfanyl-1-(4-phenylpiperazin-1-yl)ethanone has a molecular weight of 420.54 g/mol, XLogP of 3.59, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(4-methoxyphenyl)pyridazin-3-yl]sulfanyl-1-(4-phenylpiperazin-1-yl)ethanone is sourced from PubChem (CID 7162170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).