4-[4-(1-ethyl-2-methylimidazol-4-yl)sulfonylpiperazin-1-yl]-3-phenyl-1H-pyridazin-6-one

C20H24N6O3S — CID 154581577

IUPAC4-[4-(1-ethyl-2-methylimidazol-4-yl)sulfonylpiperazin-1-yl]-3-phenyl-1H-pyridazin-6-one
SMILESCCn1cc(S(=O)(=O)N2CCN(c3cc(=O)[nH]nc3-c3ccccc3)CC2)nc1C
InChIInChI=1S/C20H24N6O3S/c1-3-24-14-19(21-15(24)2)30(28,29)26-11-9-25(10-12-26)17-13-18(27)22-23-20(17)16-7-5-4-6-8-16/h4-8,13-14H,3,9-12H2,1-2H3,(H,22,27)
InChIKeyXXELWYANBUFXSA-UHFFFAOYSA-N
MW428.52 g/mol
LogP1.47
Rot. Bonds5

About 4-[4-(1-ethyl-2-methylimidazol-4-yl)sulfonylpiperazin-1-yl]-3-phenyl-1H-pyridazin-6-one

4-[4-(1-ethyl-2-methylimidazol-4-yl)sulfonylpiperazin-1-yl]-3-phenyl-1H-pyridazin-6-one (PubChem CID 154581577) has the molecular formula C20H24N6O3S and a molecular weight of 428.52 g/mol. Its IUPAC name is 4-[4-(1-ethyl-2-methylimidazol-4-yl)sulfonylpiperazin-1-yl]-3-phenyl-1H-pyridazin-6-one.

Molecular Properties

Compound Name4-[4-(1-ethyl-2-methylimidazol-4-yl)sulfonylpiperazin-1-yl]-3-phenyl-1H-pyridazin-6-one
PubChem CID154581577
Molecular FormulaC20H24N6O3S
Molecular Weight428.52 g/mol
Exact Mass428.16
IUPAC Name4-[4-(1-ethyl-2-methylimidazol-4-yl)sulfonylpiperazin-1-yl]-3-phenyl-1H-pyridazin-6-one
SMILESCCn1cc(S(=O)(=O)N2CCN(c3cc(=O)[nH]nc3-c3ccccc3)CC2)nc1C
InChIInChI=1S/C20H24N6O3S/c1-3-24-14-19(21-15(24)2)30(28,29)26-11-9-25(10-12-26)17-13-18(27)22-23-20(17)16-7-5-4-6-8-16/h4-8,13-14H,3,9-12H2,1-2H3,(H,22,27)
InChIKeyXXELWYANBUFXSA-UHFFFAOYSA-N
XLogP1.47
TPSA104.19 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.52
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(1-ethyl-2-methylimidazol-4-yl)sulfonylpiperazin-1-yl]-3-phenyl-1H-pyridazin-6-one?
The IUPAC name of 4-[4-(1-ethyl-2-methylimidazol-4-yl)sulfonylpiperazin-1-yl]-3-phenyl-1H-pyridazin-6-one (CID 154581577) is 4-[4-(1-ethyl-2-methylimidazol-4-yl)sulfonylpiperazin-1-yl]-3-phenyl-1H-pyridazin-6-one.
What is the SMILES notation for 4-[4-(1-ethyl-2-methylimidazol-4-yl)sulfonylpiperazin-1-yl]-3-phenyl-1H-pyridazin-6-one?
The canonical SMILES for 4-[4-(1-ethyl-2-methylimidazol-4-yl)sulfonylpiperazin-1-yl]-3-phenyl-1H-pyridazin-6-one is CCn1cc(S(=O)(=O)N2CCN(c3cc(=O)[nH]nc3-c3ccccc3)CC2)nc1C.
What is the InChIKey of 4-[4-(1-ethyl-2-methylimidazol-4-yl)sulfonylpiperazin-1-yl]-3-phenyl-1H-pyridazin-6-one?
The InChIKey is XXELWYANBUFXSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O3S/c1-3-24-14-19(21-15(24)2)30(28,29)26-11-9-25(10-12-26)17-13-18(27)22-23-20(17)16-7-5-4-6-8-16/h4-8,13-14H,3,9-12H2,1-2H3,(H,22,27).
What are the key properties of 4-[4-(1-ethyl-2-methylimidazol-4-yl)sulfonylpiperazin-1-yl]-3-phenyl-1H-pyridazin-6-one?
4-[4-(1-ethyl-2-methylimidazol-4-yl)sulfonylpiperazin-1-yl]-3-phenyl-1H-pyridazin-6-one has a molecular weight of 428.52 g/mol, XLogP of 1.47, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(1-ethyl-2-methylimidazol-4-yl)sulfonylpiperazin-1-yl]-3-phenyl-1H-pyridazin-6-one is sourced from PubChem (CID 154581577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).