2-(2-fluorophenoxy)-1-(2-piperidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)butan-1-one

C22H27FN4O2 — CID 110240574

About 2-(2-fluorophenoxy)-1-(2-piperidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)butan-1-one

2-(2-fluorophenoxy)-1-(2-piperidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)butan-1-one (PubChem CID 110240574) has the molecular formula C22H27FN4O2 and a molecular weight of 398.48 g/mol. Its IUPAC name is 2-(2-fluorophenoxy)-1-(2-piperidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)butan-1-one.

Molecular Properties

• Compound Name: 2-(2-fluorophenoxy)-1-(2-piperidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)butan-1-one
• PubChem CID: 110240574
• Molecular Formula: C22H27FN4O2
• Molecular Weight: 398.48 g/mol
• Exact Mass: 398.21
• IUPAC Name: 2-(2-fluorophenoxy)-1-(2-piperidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)butan-1-one
• SMILES: CCC(Oc1ccccc1F)C(=O)N1CCc2nc(C3CCCCN3)ncc2C1
• InChI: InChI=1S/C22H27FN4O2/c1-2-19(29-20-9-4-3-7-16(20)23)22(28)27-12-10-17-15(14-27)13-25-21(26-17)18-8-5-6-11-24-18/h3-4,7,9,13,18-19,24H,2,5-6,8,10-12,14H2,1H3
• InChIKey: QXFYMNZUBAEAAE-UHFFFAOYSA-N
• XLogP: 3.17
• TPSA: 67.35 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	398.48
LogP ≤ 5	3.17
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenoxy)-1-(2-piperidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)butan-1-one?

The IUPAC name of 2-(2-fluorophenoxy)-1-(2-piperidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)butan-1-one (CID 110240574) is 2-(2-fluorophenoxy)-1-(2-piperidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)butan-1-one.

What is the SMILES notation for 2-(2-fluorophenoxy)-1-(2-piperidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)butan-1-one?

The canonical SMILES for 2-(2-fluorophenoxy)-1-(2-piperidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)butan-1-one is CCC(Oc1ccccc1F)C(=O)N1CCc2nc(C3CCCCN3)ncc2C1.

What is the InChIKey of 2-(2-fluorophenoxy)-1-(2-piperidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)butan-1-one?

The InChIKey is QXFYMNZUBAEAAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27FN4O2/c1-2-19(29-20-9-4-3-7-16(20)23)22(28)27-12-10-17-15(14-27)13-25-21(26-17)18-8-5-6-11-24-18/h3-4,7,9,13,18-19,24H,2,5-6,8,10-12,14H2,1H3.

What are the key properties of 2-(2-fluorophenoxy)-1-(2-piperidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)butan-1-one?

2-(2-fluorophenoxy)-1-(2-piperidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)butan-1-one has a molecular weight of 398.48 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2-fluorophenoxy)-1-(2-piperidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)butan-1-one is sourced from PubChem (CID 110240574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).