5-[5-fluoro-2-[(1-methylsulfonylpiperidin-4-yl)amino]pyrimidin-4-yl]-3-methyl-1-propan-2-ylpyridin-2-one

C19H26FN5O3S — CID 171483356

IUPAC5-[5-fluoro-2-[(1-methylsulfonylpiperidin-4-yl)amino]pyrimidin-4-yl]-3-methyl-1-propan-2-ylpyridin-2-one
SMILESCc1cc(-c2nc(NC3CCN(S(C)(=O)=O)CC3)ncc2F)cn(C(C)C)c1=O
InChIInChI=1S/C19H26FN5O3S/c1-12(2)25-11-14(9-13(3)18(25)26)17-16(20)10-21-19(23-17)22-15-5-7-24(8-6-15)29(4,27)28/h9-12,15H,5-8H2,1-4H3,(H,21,22,23)
InChIKeyOFUNEIPUYOFZFS-UHFFFAOYSA-N
MW423.51 g/mol
LogP2.17
Rot. Bonds5

About 5-[5-fluoro-2-[(1-methylsulfonylpiperidin-4-yl)amino]pyrimidin-4-yl]-3-methyl-1-propan-2-ylpyridin-2-one

5-[5-fluoro-2-[(1-methylsulfonylpiperidin-4-yl)amino]pyrimidin-4-yl]-3-methyl-1-propan-2-ylpyridin-2-one (PubChem CID 171483356) has the molecular formula C19H26FN5O3S and a molecular weight of 423.51 g/mol. Its IUPAC name is 5-[5-fluoro-2-[(1-methylsulfonylpiperidin-4-yl)amino]pyrimidin-4-yl]-3-methyl-1-propan-2-ylpyridin-2-one.

Molecular Properties

Compound Name5-[5-fluoro-2-[(1-methylsulfonylpiperidin-4-yl)amino]pyrimidin-4-yl]-3-methyl-1-propan-2-ylpyridin-2-one
PubChem CID171483356
Molecular FormulaC19H26FN5O3S
Molecular Weight423.51 g/mol
Exact Mass423.17
IUPAC Name5-[5-fluoro-2-[(1-methylsulfonylpiperidin-4-yl)amino]pyrimidin-4-yl]-3-methyl-1-propan-2-ylpyridin-2-one
SMILESCc1cc(-c2nc(NC3CCN(S(C)(=O)=O)CC3)ncc2F)cn(C(C)C)c1=O
InChIInChI=1S/C19H26FN5O3S/c1-12(2)25-11-14(9-13(3)18(25)26)17-16(20)10-21-19(23-17)22-15-5-7-24(8-6-15)29(4,27)28/h9-12,15H,5-8H2,1-4H3,(H,21,22,23)
InChIKeyOFUNEIPUYOFZFS-UHFFFAOYSA-N
XLogP2.17
TPSA97.19 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.51
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[5-fluoro-2-[(1-methylsulfonylpiperidin-4-yl)amino]pyrimidin-4-yl]-3-methyl-1-propan-2-ylpyridin-2-one?
The IUPAC name of 5-[5-fluoro-2-[(1-methylsulfonylpiperidin-4-yl)amino]pyrimidin-4-yl]-3-methyl-1-propan-2-ylpyridin-2-one (CID 171483356) is 5-[5-fluoro-2-[(1-methylsulfonylpiperidin-4-yl)amino]pyrimidin-4-yl]-3-methyl-1-propan-2-ylpyridin-2-one.
What is the SMILES notation for 5-[5-fluoro-2-[(1-methylsulfonylpiperidin-4-yl)amino]pyrimidin-4-yl]-3-methyl-1-propan-2-ylpyridin-2-one?
The canonical SMILES for 5-[5-fluoro-2-[(1-methylsulfonylpiperidin-4-yl)amino]pyrimidin-4-yl]-3-methyl-1-propan-2-ylpyridin-2-one is Cc1cc(-c2nc(NC3CCN(S(C)(=O)=O)CC3)ncc2F)cn(C(C)C)c1=O.
What is the InChIKey of 5-[5-fluoro-2-[(1-methylsulfonylpiperidin-4-yl)amino]pyrimidin-4-yl]-3-methyl-1-propan-2-ylpyridin-2-one?
The InChIKey is OFUNEIPUYOFZFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26FN5O3S/c1-12(2)25-11-14(9-13(3)18(25)26)17-16(20)10-21-19(23-17)22-15-5-7-24(8-6-15)29(4,27)28/h9-12,15H,5-8H2,1-4H3,(H,21,22,23).
What are the key properties of 5-[5-fluoro-2-[(1-methylsulfonylpiperidin-4-yl)amino]pyrimidin-4-yl]-3-methyl-1-propan-2-ylpyridin-2-one?
5-[5-fluoro-2-[(1-methylsulfonylpiperidin-4-yl)amino]pyrimidin-4-yl]-3-methyl-1-propan-2-ylpyridin-2-one has a molecular weight of 423.51 g/mol, XLogP of 2.17, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-fluoro-2-[(1-methylsulfonylpiperidin-4-yl)amino]pyrimidin-4-yl]-3-methyl-1-propan-2-ylpyridin-2-one is sourced from PubChem (CID 171483356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).