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

C20H28FN5O3S — CID 171483359

IUPAC5-[5-fluoro-2-[(1-propan-2-ylsulfonylpiperidin-4-yl)amino]pyrimidin-4-yl]-1-propan-2-ylpyridin-2-one
SMILESCC(C)n1cc(-c2nc(NC3CCN(S(=O)(=O)C(C)C)CC3)ncc2F)ccc1=O
InChIInChI=1S/C20H28FN5O3S/c1-13(2)26-12-15(5-6-18(26)27)19-17(21)11-22-20(24-19)23-16-7-9-25(10-8-16)30(28,29)14(3)4/h5-6,11-14,16H,7-10H2,1-4H3,(H,22,23,24)
InChIKeyMBWWFMZTASJCJD-UHFFFAOYSA-N
MW437.54 g/mol
LogP2.64
Rot. Bonds6

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

5-[5-fluoro-2-[(1-propan-2-ylsulfonylpiperidin-4-yl)amino]pyrimidin-4-yl]-1-propan-2-ylpyridin-2-one (PubChem CID 171483359) has the molecular formula C20H28FN5O3S and a molecular weight of 437.54 g/mol. Its IUPAC name is 5-[5-fluoro-2-[(1-propan-2-ylsulfonylpiperidin-4-yl)amino]pyrimidin-4-yl]-1-propan-2-ylpyridin-2-one.

Molecular Properties

Compound Name5-[5-fluoro-2-[(1-propan-2-ylsulfonylpiperidin-4-yl)amino]pyrimidin-4-yl]-1-propan-2-ylpyridin-2-one
PubChem CID171483359
Molecular FormulaC20H28FN5O3S
Molecular Weight437.54 g/mol
Exact Mass437.19
IUPAC Name5-[5-fluoro-2-[(1-propan-2-ylsulfonylpiperidin-4-yl)amino]pyrimidin-4-yl]-1-propan-2-ylpyridin-2-one
SMILESCC(C)n1cc(-c2nc(NC3CCN(S(=O)(=O)C(C)C)CC3)ncc2F)ccc1=O
InChIInChI=1S/C20H28FN5O3S/c1-13(2)26-12-15(5-6-18(26)27)19-17(21)11-22-20(24-19)23-16-7-9-25(10-8-16)30(28,29)14(3)4/h5-6,11-14,16H,7-10H2,1-4H3,(H,22,23,24)
InChIKeyMBWWFMZTASJCJD-UHFFFAOYSA-N
XLogP2.64
TPSA97.19 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
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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Related Compounds

3-fluoro-5-[5-fluoro-2-[(1-methylsulfonylpiperidin-4-yl)amino]pyrimidin-4-yl]-1-propan-2-ylpyridin-2-one
CID 171483365
5-[5-fluoro-2-(4-methylsulfonylanilino)pyrimidin-4-yl]-1-propan-2-ylpyridin-2-one
CID 167438289
4-[4-(1-aminoethyl)-8-fluoroquinolin-6-yl]-N-(1-cyclopropylsulfonylpiperidin-4-yl)-5-fluoropyrimidin-2-amine
CID 164570396
5-fluoro-N-(1-methylsulfonylpiperidin-4-yl)-4-(2-propan-2-yl-1,3-thiazol-5-yl)pyrimidin-2-amine
CID 164588471
5-[5-fluoro-2-[(5-morpholin-4-yl-2-pyridinyl)amino]pyrimidin-4-yl]-1-propan-2-ylpyridin-2-one
CID 175582344
4-[6-(dimethylamino)-5-fluoro-3-pyridinyl]-5-fluoro-N-(1-methylsulfonylpiperidin-4-yl)pyrimidin-2-amine
CID 171617204
3-fluoro-5-[5-fluoro-2-[(1-methylsulfonylpiperidin-4-yl)amino]pyrimidin-4-yl]-1-(3-methylbut-2-enyl)pyridin-2-one
CID 171483362
8-fluoro-6-[5-fluoro-2-[(1-methylsulfonylpiperidin-4-yl)amino]pyrimidin-4-yl]quinoline-4-carboxylic acid
CID 164570492
4-[1-(3-amino-3-methylcyclobutyl)pyrazol-4-yl]-5-methyl-N-(1-propan-2-ylsulfonylpiperidin-4-yl)pyrimidin-2-amine
CID 161030749
4-[4-[[5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)pyrimidin-2-yl]amino]piperidin-1-yl]sulfonylpiperidine-1-carboxylic acid
CID 170319612
2-[6-[2-[(1-cyclopropylsulfonylpiperidin-4-yl)amino]-5-fluoropyrimidin-4-yl]-8-fluoro-2-methylquinolin-4-yl]propan-2-ol
CID 164570350
4-[4-[[5-fluoro-4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]piperidin-1-yl]sulfonylpiperidine-1-carboxylic acid
CID 91381147

Frequently Asked Questions

What is the IUPAC name of 5-[5-fluoro-2-[(1-propan-2-ylsulfonylpiperidin-4-yl)amino]pyrimidin-4-yl]-1-propan-2-ylpyridin-2-one?
The IUPAC name of 5-[5-fluoro-2-[(1-propan-2-ylsulfonylpiperidin-4-yl)amino]pyrimidin-4-yl]-1-propan-2-ylpyridin-2-one (CID 171483359) is 5-[5-fluoro-2-[(1-propan-2-ylsulfonylpiperidin-4-yl)amino]pyrimidin-4-yl]-1-propan-2-ylpyridin-2-one.
What is the SMILES notation for 5-[5-fluoro-2-[(1-propan-2-ylsulfonylpiperidin-4-yl)amino]pyrimidin-4-yl]-1-propan-2-ylpyridin-2-one?
The canonical SMILES for 5-[5-fluoro-2-[(1-propan-2-ylsulfonylpiperidin-4-yl)amino]pyrimidin-4-yl]-1-propan-2-ylpyridin-2-one is CC(C)n1cc(-c2nc(NC3CCN(S(=O)(=O)C(C)C)CC3)ncc2F)ccc1=O.
What is the InChIKey of 5-[5-fluoro-2-[(1-propan-2-ylsulfonylpiperidin-4-yl)amino]pyrimidin-4-yl]-1-propan-2-ylpyridin-2-one?
The InChIKey is MBWWFMZTASJCJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28FN5O3S/c1-13(2)26-12-15(5-6-18(26)27)19-17(21)11-22-20(24-19)23-16-7-9-25(10-8-16)30(28,29)14(3)4/h5-6,11-14,16H,7-10H2,1-4H3,(H,22,23,24).
What are the key properties of 5-[5-fluoro-2-[(1-propan-2-ylsulfonylpiperidin-4-yl)amino]pyrimidin-4-yl]-1-propan-2-ylpyridin-2-one?
5-[5-fluoro-2-[(1-propan-2-ylsulfonylpiperidin-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, 6 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-propan-2-ylsulfonylpiperidin-4-yl)amino]pyrimidin-4-yl]-1-propan-2-ylpyridin-2-one is sourced from PubChem (CID 171483359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).