1-[2-(6-acetyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]-2-(3-fluorophenyl)ethanone

C22H25FN4O2 — CID 110240484

About 1-[2-(6-acetyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]-2-(3-fluorophenyl)ethanone

1-[2-(6-acetyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]-2-(3-fluorophenyl)ethanone (PubChem CID 110240484) has the molecular formula C22H25FN4O2 and a molecular weight of 396.47 g/mol. Its IUPAC name is 1-[2-(6-acetyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]-2-(3-fluorophenyl)ethanone.

Molecular Properties

• Compound Name: 1-[2-(6-acetyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]-2-(3-fluorophenyl)ethanone
• PubChem CID: 110240484
• Molecular Formula: C22H25FN4O2
• Molecular Weight: 396.47 g/mol
• Exact Mass: 396.20
• IUPAC Name: 1-[2-(6-acetyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]-2-(3-fluorophenyl)ethanone
• SMILES: CC(=O)N1CCc2nc(C3CCCCN3C(=O)Cc3cccc(F)c3)ncc2C1
• InChI: InChI=1S/C22H25FN4O2/c1-15(28)26-10-8-19-17(14-26)13-24-22(25-19)20-7-2-3-9-27(20)21(29)12-16-5-4-6-18(23)11-16/h4-6,11,13,20H,2-3,7-10,12,14H2,1H3
• InChIKey: CLXBCOWXXPDNOY-UHFFFAOYSA-N
• XLogP: 2.82
• TPSA: 66.40 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	396.47
LogP ≤ 5	2.82
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 1-[2-(6-acetyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]-2-(3-fluorophenyl)ethanone (CID 110240484) is 1-[2-(6-acetyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]-2-(3-fluorophenyl)ethanone.

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

The canonical SMILES for 1-[2-(6-acetyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]-2-(3-fluorophenyl)ethanone is CC(=O)N1CCc2nc(C3CCCCN3C(=O)Cc3cccc(F)c3)ncc2C1.

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

The InChIKey is CLXBCOWXXPDNOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN4O2/c1-15(28)26-10-8-19-17(14-26)13-24-22(25-19)20-7-2-3-9-27(20)21(29)12-16-5-4-6-18(23)11-16/h4-6,11,13,20H,2-3,7-10,12,14H2,1H3.

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

1-[2-(6-acetyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]-2-(3-fluorophenyl)ethanone has a molecular weight of 396.47 g/mol, XLogP of 2.82, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-(6-acetyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]-2-(3-fluorophenyl)ethanone is sourced from PubChem (CID 110240484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).