5-[1-(5-cyclopropylpyrimidin-2-yl)piperidin-4-yl]oxy-2-(4-methylsulfonylphenyl)pyridazin-3-one

C23H25N5O4S — CID 44621589

IUPAC5-[1-(5-cyclopropylpyrimidin-2-yl)piperidin-4-yl]oxy-2-(4-methylsulfonylphenyl)pyridazin-3-one
SMILESCS(=O)(=O)c1ccc(-n2ncc(OC3CCN(c4ncc(C5CC5)cn4)CC3)cc2=O)cc1
InChIInChI=1S/C23H25N5O4S/c1-33(30,31)21-6-4-18(5-7-21)28-22(29)12-20(15-26-28)32-19-8-10-27(11-9-19)23-24-13-17(14-25-23)16-2-3-16/h4-7,12-16,19H,2-3,8-11H2,1H3
InChIKeyODXRUCYUIVSMNG-UHFFFAOYSA-N
MW467.55 g/mol
LogP2.35
Rot. Bonds6

About 5-[1-(5-cyclopropylpyrimidin-2-yl)piperidin-4-yl]oxy-2-(4-methylsulfonylphenyl)pyridazin-3-one

5-[1-(5-cyclopropylpyrimidin-2-yl)piperidin-4-yl]oxy-2-(4-methylsulfonylphenyl)pyridazin-3-one (PubChem CID 44621589) has the molecular formula C23H25N5O4S and a molecular weight of 467.55 g/mol. Its IUPAC name is 5-[1-(5-cyclopropylpyrimidin-2-yl)piperidin-4-yl]oxy-2-(4-methylsulfonylphenyl)pyridazin-3-one.

Molecular Properties

Compound Name5-[1-(5-cyclopropylpyrimidin-2-yl)piperidin-4-yl]oxy-2-(4-methylsulfonylphenyl)pyridazin-3-one
PubChem CID44621589
Molecular FormulaC23H25N5O4S
Molecular Weight467.55 g/mol
Exact Mass467.16
IUPAC Name5-[1-(5-cyclopropylpyrimidin-2-yl)piperidin-4-yl]oxy-2-(4-methylsulfonylphenyl)pyridazin-3-one
SMILESCS(=O)(=O)c1ccc(-n2ncc(OC3CCN(c4ncc(C5CC5)cn4)CC3)cc2=O)cc1
InChIInChI=1S/C23H25N5O4S/c1-33(30,31)21-6-4-18(5-7-21)28-22(29)12-20(15-26-28)32-19-8-10-27(11-9-19)23-24-13-17(14-25-23)16-2-3-16/h4-7,12-16,19H,2-3,8-11H2,1H3
InChIKeyODXRUCYUIVSMNG-UHFFFAOYSA-N
XLogP2.35
TPSA107.28 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.55
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(5-cyclopropylpyrimidin-2-yl)piperidin-4-yl]oxy-2-(4-methylsulfonylphenyl)pyridazin-3-one?
The IUPAC name of 5-[1-(5-cyclopropylpyrimidin-2-yl)piperidin-4-yl]oxy-2-(4-methylsulfonylphenyl)pyridazin-3-one (CID 44621589) is 5-[1-(5-cyclopropylpyrimidin-2-yl)piperidin-4-yl]oxy-2-(4-methylsulfonylphenyl)pyridazin-3-one.
What is the SMILES notation for 5-[1-(5-cyclopropylpyrimidin-2-yl)piperidin-4-yl]oxy-2-(4-methylsulfonylphenyl)pyridazin-3-one?
The canonical SMILES for 5-[1-(5-cyclopropylpyrimidin-2-yl)piperidin-4-yl]oxy-2-(4-methylsulfonylphenyl)pyridazin-3-one is CS(=O)(=O)c1ccc(-n2ncc(OC3CCN(c4ncc(C5CC5)cn4)CC3)cc2=O)cc1.
What is the InChIKey of 5-[1-(5-cyclopropylpyrimidin-2-yl)piperidin-4-yl]oxy-2-(4-methylsulfonylphenyl)pyridazin-3-one?
The InChIKey is ODXRUCYUIVSMNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O4S/c1-33(30,31)21-6-4-18(5-7-21)28-22(29)12-20(15-26-28)32-19-8-10-27(11-9-19)23-24-13-17(14-25-23)16-2-3-16/h4-7,12-16,19H,2-3,8-11H2,1H3.
What are the key properties of 5-[1-(5-cyclopropylpyrimidin-2-yl)piperidin-4-yl]oxy-2-(4-methylsulfonylphenyl)pyridazin-3-one?
5-[1-(5-cyclopropylpyrimidin-2-yl)piperidin-4-yl]oxy-2-(4-methylsulfonylphenyl)pyridazin-3-one has a molecular weight of 467.55 g/mol, XLogP of 2.35, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(5-cyclopropylpyrimidin-2-yl)piperidin-4-yl]oxy-2-(4-methylsulfonylphenyl)pyridazin-3-one is sourced from PubChem (CID 44621589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).