5-[6-amino-5-fluoro-2-(5-piperidin-1-yl-2-pyridinyl)pyrimidin-4-yl]-1-propan-2-ylpyridin-2-one

C22H25FN6O — CID 175582346

IUPAC5-[6-amino-5-fluoro-2-(5-piperidin-1-yl-2-pyridinyl)pyrimidin-4-yl]-1-propan-2-ylpyridin-2-one
SMILESCC(C)n1cc(-c2nc(-c3ccc(N4CCCCC4)cn3)nc(N)c2F)ccc1=O
InChIInChI=1S/C22H25FN6O/c1-14(2)29-13-15(6-9-18(29)30)20-19(23)21(24)27-22(26-20)17-8-7-16(12-25-17)28-10-4-3-5-11-28/h6-9,12-14H,3-5,10-11H2,1-2H3,(H2,24,26,27)
InChIKeyROAINULSEHOGDX-UHFFFAOYSA-N
MW408.48 g/mol
LogP3.66
Rot. Bonds4

About 5-[6-amino-5-fluoro-2-(5-piperidin-1-yl-2-pyridinyl)pyrimidin-4-yl]-1-propan-2-ylpyridin-2-one

5-[6-amino-5-fluoro-2-(5-piperidin-1-yl-2-pyridinyl)pyrimidin-4-yl]-1-propan-2-ylpyridin-2-one (PubChem CID 175582346) has the molecular formula C22H25FN6O and a molecular weight of 408.48 g/mol. Its IUPAC name is 5-[6-amino-5-fluoro-2-(5-piperidin-1-yl-2-pyridinyl)pyrimidin-4-yl]-1-propan-2-ylpyridin-2-one.

Molecular Properties

Compound Name5-[6-amino-5-fluoro-2-(5-piperidin-1-yl-2-pyridinyl)pyrimidin-4-yl]-1-propan-2-ylpyridin-2-one
PubChem CID175582346
Molecular FormulaC22H25FN6O
Molecular Weight408.48 g/mol
Exact Mass408.21
IUPAC Name5-[6-amino-5-fluoro-2-(5-piperidin-1-yl-2-pyridinyl)pyrimidin-4-yl]-1-propan-2-ylpyridin-2-one
SMILESCC(C)n1cc(-c2nc(-c3ccc(N4CCCCC4)cn3)nc(N)c2F)ccc1=O
InChIInChI=1S/C22H25FN6O/c1-14(2)29-13-15(6-9-18(29)30)20-19(23)21(24)27-22(26-20)17-8-7-16(12-25-17)28-10-4-3-5-11-28/h6-9,12-14H,3-5,10-11H2,1-2H3,(H2,24,26,27)
InChIKeyROAINULSEHOGDX-UHFFFAOYSA-N
XLogP3.66
TPSA89.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.48
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-[6-amino-5-fluoro-2-(5-piperidin-1-yl-2-pyridinyl)pyrimidin-4-yl]-1-propan-2-ylpyridin-2-one with MolForge

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Related Compounds

5-[6-amino-5-fluoro-2-(5-piperazin-1-yl-2-pyridinyl)pyrimidin-4-yl]-1-propan-2-ylpyridin-2-one
CID 175582421
5-[6-amino-5-fluoro-2-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrimidin-4-yl]-1-cyclopentylpyridin-2-one
CID 175582426
5-[6-amino-5-fluoro-2-(5-piperazin-1-yl-2-pyridinyl)pyrimidin-4-yl]-1-cyclopentylpyridin-2-one
CID 175582350
5-[5-fluoro-2-[(5-morpholin-4-yl-2-pyridinyl)amino]pyrimidin-4-yl]-1-propan-2-ylpyridin-2-one
CID 175582344
5-[5-amino-3-(2,4-difluorophenyl)pyrazin-2-yl]-1-propan-2-ylpyridin-2-one
CID 69103237
5-(5-amino-3-phenylpyrazin-2-yl)-1-propan-2-ylpyridin-2-one
CID 69104247
(1R)-1-[5-(azepan-1-yl)-2-pyridinyl]ethanamine
CID 83123042
5-[6-amino-5-fluoro-2-(4-methylsulfonylphenyl)pyrimidin-4-yl]-1-cyclopentylpyridin-2-one
CID 175582373
1-(6-propan-2-yl-3-pyridinyl)azepane
CID 156651925
5-(azepan-1-yl)pyridin-2-amine;dihydrochloride
CID 75537462
5-[5-amino-6-(methylamino)-3-phenylpyrazin-2-yl]-1-propan-2-ylpyridin-2-one
CID 69103594
ethyl (2R)-2-[6-oxo-3-(4-piperidin-1-ylphenyl)pyridazin-1-yl]propanoate
CID 7658883

Frequently Asked Questions

What is the IUPAC name of 5-[6-amino-5-fluoro-2-(5-piperidin-1-yl-2-pyridinyl)pyrimidin-4-yl]-1-propan-2-ylpyridin-2-one?
The IUPAC name of 5-[6-amino-5-fluoro-2-(5-piperidin-1-yl-2-pyridinyl)pyrimidin-4-yl]-1-propan-2-ylpyridin-2-one (CID 175582346) is 5-[6-amino-5-fluoro-2-(5-piperidin-1-yl-2-pyridinyl)pyrimidin-4-yl]-1-propan-2-ylpyridin-2-one.
What is the SMILES notation for 5-[6-amino-5-fluoro-2-(5-piperidin-1-yl-2-pyridinyl)pyrimidin-4-yl]-1-propan-2-ylpyridin-2-one?
The canonical SMILES for 5-[6-amino-5-fluoro-2-(5-piperidin-1-yl-2-pyridinyl)pyrimidin-4-yl]-1-propan-2-ylpyridin-2-one is CC(C)n1cc(-c2nc(-c3ccc(N4CCCCC4)cn3)nc(N)c2F)ccc1=O.
What is the InChIKey of 5-[6-amino-5-fluoro-2-(5-piperidin-1-yl-2-pyridinyl)pyrimidin-4-yl]-1-propan-2-ylpyridin-2-one?
The InChIKey is ROAINULSEHOGDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN6O/c1-14(2)29-13-15(6-9-18(29)30)20-19(23)21(24)27-22(26-20)17-8-7-16(12-25-17)28-10-4-3-5-11-28/h6-9,12-14H,3-5,10-11H2,1-2H3,(H2,24,26,27).
What are the key properties of 5-[6-amino-5-fluoro-2-(5-piperidin-1-yl-2-pyridinyl)pyrimidin-4-yl]-1-propan-2-ylpyridin-2-one?
5-[6-amino-5-fluoro-2-(5-piperidin-1-yl-2-pyridinyl)pyrimidin-4-yl]-1-propan-2-ylpyridin-2-one has a molecular weight of 408.48 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-amino-5-fluoro-2-(5-piperidin-1-yl-2-pyridinyl)pyrimidin-4-yl]-1-propan-2-ylpyridin-2-one is sourced from PubChem (CID 175582346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).