6-methyl-2-[[1-(1-methyl-2-propan-2-ylimidazol-4-yl)sulfonylpiperidin-4-yl]methyl]pyridazin-3-one

C18H27N5O3S — CID 126863917

IUPAC6-methyl-2-[[1-(1-methyl-2-propan-2-ylimidazol-4-yl)sulfonylpiperidin-4-yl]methyl]pyridazin-3-one
SMILESCc1ccc(=O)n(CC2CCN(S(=O)(=O)c3cn(C)c(C(C)C)n3)CC2)n1
InChIInChI=1S/C18H27N5O3S/c1-13(2)18-19-16(12-21(18)4)27(25,26)22-9-7-15(8-10-22)11-23-17(24)6-5-14(3)20-23/h5-6,12-13,15H,7-11H2,1-4H3
InChIKeyOTBADEDVVYFZJL-UHFFFAOYSA-N
MW393.51 g/mol
LogP1.51
Rot. Bonds5

About 6-methyl-2-[[1-(1-methyl-2-propan-2-ylimidazol-4-yl)sulfonylpiperidin-4-yl]methyl]pyridazin-3-one

6-methyl-2-[[1-(1-methyl-2-propan-2-ylimidazol-4-yl)sulfonylpiperidin-4-yl]methyl]pyridazin-3-one (PubChem CID 126863917) has the molecular formula C18H27N5O3S and a molecular weight of 393.51 g/mol. Its IUPAC name is 6-methyl-2-[[1-(1-methyl-2-propan-2-ylimidazol-4-yl)sulfonylpiperidin-4-yl]methyl]pyridazin-3-one.

Molecular Properties

Compound Name6-methyl-2-[[1-(1-methyl-2-propan-2-ylimidazol-4-yl)sulfonylpiperidin-4-yl]methyl]pyridazin-3-one
PubChem CID126863917
Molecular FormulaC18H27N5O3S
Molecular Weight393.51 g/mol
Exact Mass393.18
IUPAC Name6-methyl-2-[[1-(1-methyl-2-propan-2-ylimidazol-4-yl)sulfonylpiperidin-4-yl]methyl]pyridazin-3-one
SMILESCc1ccc(=O)n(CC2CCN(S(=O)(=O)c3cn(C)c(C(C)C)n3)CC2)n1
InChIInChI=1S/C18H27N5O3S/c1-13(2)18-19-16(12-21(18)4)27(25,26)22-9-7-15(8-10-22)11-23-17(24)6-5-14(3)20-23/h5-6,12-13,15H,7-11H2,1-4H3
InChIKeyOTBADEDVVYFZJL-UHFFFAOYSA-N
XLogP1.51
TPSA90.09 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.51
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 6-methyl-2-[[1-(1-methyl-2-propan-2-ylimidazol-4-yl)sulfonylpiperidin-4-yl]methyl]pyridazin-3-one with MolForge

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Related Compounds

2-[[1-(1-methyl-2-propan-2-ylimidazol-4-yl)sulfonylazetidin-3-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126928580
2-[[1-(2-hydroxyethyl)piperidin-4-yl]methyl]-6-methylpyridazin-3-one
CID 126863941
6-cyclopropyl-2-[[1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidin-4-yl]methyl]pyridazin-3-one
CID 126865228
6-methyl-2-[[1-(1-phenylethyl)piperidin-4-yl]methyl]pyridazin-3-one
CID 126863947
2-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-6-methylpyridazin-3-one
CID 126863942
6-methyl-2-(piperidin-4-ylmethyl)pyridazin-3-one
CID 62922665
1-(1-methyl-2-propan-2-ylimidazol-4-yl)sulfonyl-4-(oxolan-3-yl)-1,4-diazepane
CID 134160851
3-(4-methylpiperazin-1-yl)-6-[4-(1-methyl-2-propan-2-ylimidazol-4-yl)sulfonylpiperazin-1-yl]pyridazine
CID 122336564
6-methyl-2-[[1-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]pyridazin-3-one
CID 126864091
6-methyl-2-[[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]methyl]pyridazin-3-one
CID 126863975
6-methyl-2-[[1-[(2-methylpyrimidin-4-yl)methyl]piperidin-4-yl]methyl]pyridazin-3-one
CID 126864051
6-methyl-2-[[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]methyl]pyridazin-3-one
CID 126863932

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-[[1-(1-methyl-2-propan-2-ylimidazol-4-yl)sulfonylpiperidin-4-yl]methyl]pyridazin-3-one?
The IUPAC name of 6-methyl-2-[[1-(1-methyl-2-propan-2-ylimidazol-4-yl)sulfonylpiperidin-4-yl]methyl]pyridazin-3-one (CID 126863917) is 6-methyl-2-[[1-(1-methyl-2-propan-2-ylimidazol-4-yl)sulfonylpiperidin-4-yl]methyl]pyridazin-3-one.
What is the SMILES notation for 6-methyl-2-[[1-(1-methyl-2-propan-2-ylimidazol-4-yl)sulfonylpiperidin-4-yl]methyl]pyridazin-3-one?
The canonical SMILES for 6-methyl-2-[[1-(1-methyl-2-propan-2-ylimidazol-4-yl)sulfonylpiperidin-4-yl]methyl]pyridazin-3-one is Cc1ccc(=O)n(CC2CCN(S(=O)(=O)c3cn(C)c(C(C)C)n3)CC2)n1.
What is the InChIKey of 6-methyl-2-[[1-(1-methyl-2-propan-2-ylimidazol-4-yl)sulfonylpiperidin-4-yl]methyl]pyridazin-3-one?
The InChIKey is OTBADEDVVYFZJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5O3S/c1-13(2)18-19-16(12-21(18)4)27(25,26)22-9-7-15(8-10-22)11-23-17(24)6-5-14(3)20-23/h5-6,12-13,15H,7-11H2,1-4H3.
What are the key properties of 6-methyl-2-[[1-(1-methyl-2-propan-2-ylimidazol-4-yl)sulfonylpiperidin-4-yl]methyl]pyridazin-3-one?
6-methyl-2-[[1-(1-methyl-2-propan-2-ylimidazol-4-yl)sulfonylpiperidin-4-yl]methyl]pyridazin-3-one has a molecular weight of 393.51 g/mol, XLogP of 1.51, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-[[1-(1-methyl-2-propan-2-ylimidazol-4-yl)sulfonylpiperidin-4-yl]methyl]pyridazin-3-one is sourced from PubChem (CID 126863917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).