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

C20H28FN5O3S — CID 171483357

IUPAC5-[5-fluoro-2-[(1-propylsulfonylpiperidin-4-yl)amino]pyrimidin-4-yl]-1-propan-2-ylpyridin-2-one
SMILESCCCS(=O)(=O)N1CCC(Nc2ncc(F)c(-c3ccc(=O)n(C(C)C)c3)n2)CC1
InChIInChI=1S/C20H28FN5O3S/c1-4-11-30(28,29)25-9-7-16(8-10-25)23-20-22-12-17(21)19(24-20)15-5-6-18(27)26(13-15)14(2)3/h5-6,12-14,16H,4,7-11H2,1-3H3,(H,22,23,24)
InChIKeyOYNIWHMKJDVPAO-UHFFFAOYSA-N
MW437.54 g/mol
LogP2.64
Rot. Bonds7

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

5-[5-fluoro-2-[(1-propylsulfonylpiperidin-4-yl)amino]pyrimidin-4-yl]-1-propan-2-ylpyridin-2-one (PubChem CID 171483357) has the molecular formula C20H28FN5O3S and a molecular weight of 437.54 g/mol. Its IUPAC name is 5-[5-fluoro-2-[(1-propylsulfonylpiperidin-4-yl)amino]pyrimidin-4-yl]-1-propan-2-ylpyridin-2-one.

Molecular Properties

Compound Name5-[5-fluoro-2-[(1-propylsulfonylpiperidin-4-yl)amino]pyrimidin-4-yl]-1-propan-2-ylpyridin-2-one
PubChem CID171483357
Molecular FormulaC20H28FN5O3S
Molecular Weight437.54 g/mol
Exact Mass437.19
IUPAC Name5-[5-fluoro-2-[(1-propylsulfonylpiperidin-4-yl)amino]pyrimidin-4-yl]-1-propan-2-ylpyridin-2-one
SMILESCCCS(=O)(=O)N1CCC(Nc2ncc(F)c(-c3ccc(=O)n(C(C)C)c3)n2)CC1
InChIInChI=1S/C20H28FN5O3S/c1-4-11-30(28,29)25-9-7-16(8-10-25)23-20-22-12-17(21)19(24-20)15-5-6-18(27)26(13-15)14(2)3/h5-6,12-14,16H,4,7-11H2,1-3H3,(H,22,23,24)
InChIKeyOYNIWHMKJDVPAO-UHFFFAOYSA-N
XLogP2.64
TPSA97.19 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.54
LogP ≤ 52.64
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-propylsulfonylpiperidin-4-yl)amino]pyrimidin-4-yl]-1-propan-2-ylpyridin-2-one?
The IUPAC name of 5-[5-fluoro-2-[(1-propylsulfonylpiperidin-4-yl)amino]pyrimidin-4-yl]-1-propan-2-ylpyridin-2-one (CID 171483357) is 5-[5-fluoro-2-[(1-propylsulfonylpiperidin-4-yl)amino]pyrimidin-4-yl]-1-propan-2-ylpyridin-2-one.
What is the SMILES notation for 5-[5-fluoro-2-[(1-propylsulfonylpiperidin-4-yl)amino]pyrimidin-4-yl]-1-propan-2-ylpyridin-2-one?
The canonical SMILES for 5-[5-fluoro-2-[(1-propylsulfonylpiperidin-4-yl)amino]pyrimidin-4-yl]-1-propan-2-ylpyridin-2-one is CCCS(=O)(=O)N1CCC(Nc2ncc(F)c(-c3ccc(=O)n(C(C)C)c3)n2)CC1.
What is the InChIKey of 5-[5-fluoro-2-[(1-propylsulfonylpiperidin-4-yl)amino]pyrimidin-4-yl]-1-propan-2-ylpyridin-2-one?
The InChIKey is OYNIWHMKJDVPAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28FN5O3S/c1-4-11-30(28,29)25-9-7-16(8-10-25)23-20-22-12-17(21)19(24-20)15-5-6-18(27)26(13-15)14(2)3/h5-6,12-14,16H,4,7-11H2,1-3H3,(H,22,23,24).
What are the key properties of 5-[5-fluoro-2-[(1-propylsulfonylpiperidin-4-yl)amino]pyrimidin-4-yl]-1-propan-2-ylpyridin-2-one?
5-[5-fluoro-2-[(1-propylsulfonylpiperidin-4-yl)amino]pyrimidin-4-yl]-1-propan-2-ylpyridin-2-one has a molecular weight of 437.54 g/mol, XLogP of 2.64, 7 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-propylsulfonylpiperidin-4-yl)amino]pyrimidin-4-yl]-1-propan-2-ylpyridin-2-one is sourced from PubChem (CID 171483357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).