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

C24H26N4O4S — CID 25204037

IUPAC4-[1-(5-cyclopropylpyrimidin-2-yl)piperidin-4-yl]oxy-1-(4-methylsulfonylphenyl)pyridin-2-one
SMILESCS(=O)(=O)c1ccc(-n2ccc(OC3CCN(c4ncc(C5CC5)cn4)CC3)cc2=O)cc1
InChIInChI=1S/C24H26N4O4S/c1-33(30,31)22-6-4-19(5-7-22)28-13-10-21(14-23(28)29)32-20-8-11-27(12-9-20)24-25-15-18(16-26-24)17-2-3-17/h4-7,10,13-17,20H,2-3,8-9,11-12H2,1H3
InChIKeyJHORQHNGCXPGNE-UHFFFAOYSA-N
MW466.56 g/mol
LogP2.96
Rot. Bonds6

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

4-[1-(5-cyclopropylpyrimidin-2-yl)piperidin-4-yl]oxy-1-(4-methylsulfonylphenyl)pyridin-2-one (PubChem CID 25204037) has the molecular formula C24H26N4O4S and a molecular weight of 466.56 g/mol. Its IUPAC name is 4-[1-(5-cyclopropylpyrimidin-2-yl)piperidin-4-yl]oxy-1-(4-methylsulfonylphenyl)pyridin-2-one.

Molecular Properties

Compound Name4-[1-(5-cyclopropylpyrimidin-2-yl)piperidin-4-yl]oxy-1-(4-methylsulfonylphenyl)pyridin-2-one
PubChem CID25204037
Molecular FormulaC24H26N4O4S
Molecular Weight466.56 g/mol
Exact Mass466.17
IUPAC Name4-[1-(5-cyclopropylpyrimidin-2-yl)piperidin-4-yl]oxy-1-(4-methylsulfonylphenyl)pyridin-2-one
SMILESCS(=O)(=O)c1ccc(-n2ccc(OC3CCN(c4ncc(C5CC5)cn4)CC3)cc2=O)cc1
InChIInChI=1S/C24H26N4O4S/c1-33(30,31)22-6-4-19(5-7-22)28-13-10-21(14-23(28)29)32-20-8-11-27(12-9-20)24-25-15-18(16-26-24)17-2-3-17/h4-7,10,13-17,20H,2-3,8-9,11-12H2,1H3
InChIKeyJHORQHNGCXPGNE-UHFFFAOYSA-N
XLogP2.96
TPSA94.39 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.56
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(5-cyclopropylpyrimidin-2-yl)piperidin-4-yl]oxy-1-(4-methylsulfonylphenyl)pyridin-2-one?
The IUPAC name of 4-[1-(5-cyclopropylpyrimidin-2-yl)piperidin-4-yl]oxy-1-(4-methylsulfonylphenyl)pyridin-2-one (CID 25204037) is 4-[1-(5-cyclopropylpyrimidin-2-yl)piperidin-4-yl]oxy-1-(4-methylsulfonylphenyl)pyridin-2-one.
What is the SMILES notation for 4-[1-(5-cyclopropylpyrimidin-2-yl)piperidin-4-yl]oxy-1-(4-methylsulfonylphenyl)pyridin-2-one?
The canonical SMILES for 4-[1-(5-cyclopropylpyrimidin-2-yl)piperidin-4-yl]oxy-1-(4-methylsulfonylphenyl)pyridin-2-one is CS(=O)(=O)c1ccc(-n2ccc(OC3CCN(c4ncc(C5CC5)cn4)CC3)cc2=O)cc1.
What is the InChIKey of 4-[1-(5-cyclopropylpyrimidin-2-yl)piperidin-4-yl]oxy-1-(4-methylsulfonylphenyl)pyridin-2-one?
The InChIKey is JHORQHNGCXPGNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O4S/c1-33(30,31)22-6-4-19(5-7-22)28-13-10-21(14-23(28)29)32-20-8-11-27(12-9-20)24-25-15-18(16-26-24)17-2-3-17/h4-7,10,13-17,20H,2-3,8-9,11-12H2,1H3.
What are the key properties of 4-[1-(5-cyclopropylpyrimidin-2-yl)piperidin-4-yl]oxy-1-(4-methylsulfonylphenyl)pyridin-2-one?
4-[1-(5-cyclopropylpyrimidin-2-yl)piperidin-4-yl]oxy-1-(4-methylsulfonylphenyl)pyridin-2-one has a molecular weight of 466.56 g/mol, XLogP of 2.96, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(5-cyclopropylpyrimidin-2-yl)piperidin-4-yl]oxy-1-(4-methylsulfonylphenyl)pyridin-2-one is sourced from PubChem (CID 25204037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).