1-[3-[6-(dimethylamino)-2-pyridin-3-ylpyrimidin-4-yl]piperidin-1-yl]-2-(2-fluorophenyl)ethanone

C24H26FN5O — CID 110239994

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

1-[3-[6-(dimethylamino)-2-pyridin-3-ylpyrimidin-4-yl]piperidin-1-yl]-2-(2-fluorophenyl)ethanone (PubChem CID 110239994) has the molecular formula C24H26FN5O and a molecular weight of 419.50 g/mol. Its IUPAC name is 1-[3-[6-(dimethylamino)-2-pyridin-3-ylpyrimidin-4-yl]piperidin-1-yl]-2-(2-fluorophenyl)ethanone.

Molecular Properties

• Compound Name: 1-[3-[6-(dimethylamino)-2-pyridin-3-ylpyrimidin-4-yl]piperidin-1-yl]-2-(2-fluorophenyl)ethanone
• PubChem CID: 110239994
• Molecular Formula: C24H26FN5O
• Molecular Weight: 419.50 g/mol
• Exact Mass: 419.21
• IUPAC Name: 1-[3-[6-(dimethylamino)-2-pyridin-3-ylpyrimidin-4-yl]piperidin-1-yl]-2-(2-fluorophenyl)ethanone
• SMILES: CN(C)c1cc(C2CCCN(C(=O)Cc3ccccc3F)C2)nc(-c2cccnc2)n1
• InChI: InChI=1S/C24H26FN5O/c1-29(2)22-14-21(27-24(28-22)18-8-5-11-26-15-18)19-9-6-12-30(16-19)23(31)13-17-7-3-4-10-20(17)25/h3-5,7-8,10-11,14-15,19H,6,9,12-13,16H2,1-2H3
• InChIKey: DOJAVZIATNUHBX-UHFFFAOYSA-N
• XLogP: 3.69
• TPSA: 62.22 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	419.50
LogP ≤ 5	3.69
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 1-[3-[6-(dimethylamino)-2-pyridin-3-ylpyrimidin-4-yl]piperidin-1-yl]-2-(2-fluorophenyl)ethanone (CID 110239994) is 1-[3-[6-(dimethylamino)-2-pyridin-3-ylpyrimidin-4-yl]piperidin-1-yl]-2-(2-fluorophenyl)ethanone.

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

The canonical SMILES for 1-[3-[6-(dimethylamino)-2-pyridin-3-ylpyrimidin-4-yl]piperidin-1-yl]-2-(2-fluorophenyl)ethanone is CN(C)c1cc(C2CCCN(C(=O)Cc3ccccc3F)C2)nc(-c2cccnc2)n1.

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

The InChIKey is DOJAVZIATNUHBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN5O/c1-29(2)22-14-21(27-24(28-22)18-8-5-11-26-15-18)19-9-6-12-30(16-19)23(31)13-17-7-3-4-10-20(17)25/h3-5,7-8,10-11,14-15,19H,6,9,12-13,16H2,1-2H3.

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

1-[3-[6-(dimethylamino)-2-pyridin-3-ylpyrimidin-4-yl]piperidin-1-yl]-2-(2-fluorophenyl)ethanone has a molecular weight of 419.50 g/mol, XLogP of 3.69, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-[6-(dimethylamino)-2-pyridin-3-ylpyrimidin-4-yl]piperidin-1-yl]-2-(2-fluorophenyl)ethanone is sourced from PubChem (CID 110239994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).