2-(2-fluorophenoxy)-1-[3-[6-(methylamino)-2-pyridin-3-ylpyrimidin-4-yl]piperidin-1-yl]ethanone

C23H24FN5O2 — CID 110240019

About 2-(2-fluorophenoxy)-1-[3-[6-(methylamino)-2-pyridin-3-ylpyrimidin-4-yl]piperidin-1-yl]ethanone

2-(2-fluorophenoxy)-1-[3-[6-(methylamino)-2-pyridin-3-ylpyrimidin-4-yl]piperidin-1-yl]ethanone (PubChem CID 110240019) has the molecular formula C23H24FN5O2 and a molecular weight of 421.48 g/mol. Its IUPAC name is 2-(2-fluorophenoxy)-1-[3-[6-(methylamino)-2-pyridin-3-ylpyrimidin-4-yl]piperidin-1-yl]ethanone.

Molecular Properties

• Compound Name: 2-(2-fluorophenoxy)-1-[3-[6-(methylamino)-2-pyridin-3-ylpyrimidin-4-yl]piperidin-1-yl]ethanone
• PubChem CID: 110240019
• Molecular Formula: C23H24FN5O2
• Molecular Weight: 421.48 g/mol
• Exact Mass: 421.19
• IUPAC Name: 2-(2-fluorophenoxy)-1-[3-[6-(methylamino)-2-pyridin-3-ylpyrimidin-4-yl]piperidin-1-yl]ethanone
• SMILES: CNc1cc(C2CCCN(C(=O)COc3ccccc3F)C2)nc(-c2cccnc2)n1
• InChI: InChI=1S/C23H24FN5O2/c1-25-21-12-19(27-23(28-21)16-6-4-10-26-13-16)17-7-5-11-29(14-17)22(30)15-31-20-9-3-2-8-18(20)24/h2-4,6,8-10,12-13,17H,5,7,11,14-15H2,1H3,(H,25,27,28)
• InChIKey: JDXKIQYESHPZMV-UHFFFAOYSA-N
• XLogP: 3.50
• TPSA: 80.24 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	421.48
LogP ≤ 5	3.50
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenoxy)-1-[3-[6-(methylamino)-2-pyridin-3-ylpyrimidin-4-yl]piperidin-1-yl]ethanone?

The IUPAC name of 2-(2-fluorophenoxy)-1-[3-[6-(methylamino)-2-pyridin-3-ylpyrimidin-4-yl]piperidin-1-yl]ethanone (CID 110240019) is 2-(2-fluorophenoxy)-1-[3-[6-(methylamino)-2-pyridin-3-ylpyrimidin-4-yl]piperidin-1-yl]ethanone.

What is the SMILES notation for 2-(2-fluorophenoxy)-1-[3-[6-(methylamino)-2-pyridin-3-ylpyrimidin-4-yl]piperidin-1-yl]ethanone?

The canonical SMILES for 2-(2-fluorophenoxy)-1-[3-[6-(methylamino)-2-pyridin-3-ylpyrimidin-4-yl]piperidin-1-yl]ethanone is CNc1cc(C2CCCN(C(=O)COc3ccccc3F)C2)nc(-c2cccnc2)n1.

What is the InChIKey of 2-(2-fluorophenoxy)-1-[3-[6-(methylamino)-2-pyridin-3-ylpyrimidin-4-yl]piperidin-1-yl]ethanone?

The InChIKey is JDXKIQYESHPZMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN5O2/c1-25-21-12-19(27-23(28-21)16-6-4-10-26-13-16)17-7-5-11-29(14-17)22(30)15-31-20-9-3-2-8-18(20)24/h2-4,6,8-10,12-13,17H,5,7,11,14-15H2,1H3,(H,25,27,28).

What are the key properties of 2-(2-fluorophenoxy)-1-[3-[6-(methylamino)-2-pyridin-3-ylpyrimidin-4-yl]piperidin-1-yl]ethanone?

2-(2-fluorophenoxy)-1-[3-[6-(methylamino)-2-pyridin-3-ylpyrimidin-4-yl]piperidin-1-yl]ethanone has a molecular weight of 421.48 g/mol, XLogP of 3.50, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2-fluorophenoxy)-1-[3-[6-(methylamino)-2-pyridin-3-ylpyrimidin-4-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 110240019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).