1-[2-(2-fluorophenyl)-6-pyridin-2-ylpyrimidin-4-yl]piperidin-4-one

C20H17FN4O — CID 56767320

IUPAC1-[2-(2-fluorophenyl)-6-pyridin-2-ylpyrimidin-4-yl]piperidin-4-one
SMILESO=C1CCN(c2cc(-c3ccccn3)nc(-c3ccccc3F)n2)CC1
InChIInChI=1S/C20H17FN4O/c21-16-6-2-1-5-15(16)20-23-18(17-7-3-4-10-22-17)13-19(24-20)25-11-8-14(26)9-12-25/h1-7,10,13H,8-9,11-12H2
InChIKeyNDVZQLZHNMFFOZ-UHFFFAOYSA-N
MW348.38 g/mol
LogP3.51
Rot. Bonds3

About 1-[2-(2-fluorophenyl)-6-pyridin-2-ylpyrimidin-4-yl]piperidin-4-one

1-[2-(2-fluorophenyl)-6-pyridin-2-ylpyrimidin-4-yl]piperidin-4-one (PubChem CID 56767320) has the molecular formula C20H17FN4O and a molecular weight of 348.38 g/mol. Its IUPAC name is 1-[2-(2-fluorophenyl)-6-pyridin-2-ylpyrimidin-4-yl]piperidin-4-one.

Molecular Properties

Compound Name1-[2-(2-fluorophenyl)-6-pyridin-2-ylpyrimidin-4-yl]piperidin-4-one
PubChem CID56767320
Molecular FormulaC20H17FN4O
Molecular Weight348.38 g/mol
Exact Mass348.14
IUPAC Name1-[2-(2-fluorophenyl)-6-pyridin-2-ylpyrimidin-4-yl]piperidin-4-one
SMILESO=C1CCN(c2cc(-c3ccccn3)nc(-c3ccccc3F)n2)CC1
InChIInChI=1S/C20H17FN4O/c21-16-6-2-1-5-15(16)20-23-18(17-7-3-4-10-22-17)13-19(24-20)25-11-8-14(26)9-12-25/h1-7,10,13H,8-9,11-12H2
InChIKeyNDVZQLZHNMFFOZ-UHFFFAOYSA-N
XLogP3.51
TPSA58.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.38
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-fluorophenyl)-6-pyridin-2-ylpyrimidin-4-yl]piperidin-4-one?
The IUPAC name of 1-[2-(2-fluorophenyl)-6-pyridin-2-ylpyrimidin-4-yl]piperidin-4-one (CID 56767320) is 1-[2-(2-fluorophenyl)-6-pyridin-2-ylpyrimidin-4-yl]piperidin-4-one.
What is the SMILES notation for 1-[2-(2-fluorophenyl)-6-pyridin-2-ylpyrimidin-4-yl]piperidin-4-one?
The canonical SMILES for 1-[2-(2-fluorophenyl)-6-pyridin-2-ylpyrimidin-4-yl]piperidin-4-one is O=C1CCN(c2cc(-c3ccccn3)nc(-c3ccccc3F)n2)CC1.
What is the InChIKey of 1-[2-(2-fluorophenyl)-6-pyridin-2-ylpyrimidin-4-yl]piperidin-4-one?
The InChIKey is NDVZQLZHNMFFOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN4O/c21-16-6-2-1-5-15(16)20-23-18(17-7-3-4-10-22-17)13-19(24-20)25-11-8-14(26)9-12-25/h1-7,10,13H,8-9,11-12H2.
What are the key properties of 1-[2-(2-fluorophenyl)-6-pyridin-2-ylpyrimidin-4-yl]piperidin-4-one?
1-[2-(2-fluorophenyl)-6-pyridin-2-ylpyrimidin-4-yl]piperidin-4-one has a molecular weight of 348.38 g/mol, XLogP of 3.51, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-fluorophenyl)-6-pyridin-2-ylpyrimidin-4-yl]piperidin-4-one is sourced from PubChem (CID 56767320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).