2-[6-(5-fluoro-3-pyridinyl)cinnolin-3-yl]-1-[2-(1-propan-2-ylpiperidin-4-yl)-1,3-oxazol-4-yl]ethanone

C26H26FN5O2 — CID 147078959

About 2-[6-(5-fluoro-3-pyridinyl)cinnolin-3-yl]-1-[2-(1-propan-2-ylpiperidin-4-yl)-1,3-oxazol-4-yl]ethanone

2-[6-(5-fluoro-3-pyridinyl)cinnolin-3-yl]-1-[2-(1-propan-2-ylpiperidin-4-yl)-1,3-oxazol-4-yl]ethanone (PubChem CID 147078959) has the molecular formula C26H26FN5O2 and a molecular weight of 459.53 g/mol. Its IUPAC name is 2-[6-(5-fluoro-3-pyridinyl)cinnolin-3-yl]-1-[2-(1-propan-2-ylpiperidin-4-yl)-1,3-oxazol-4-yl]ethanone.

Molecular Properties

• Compound Name: 2-[6-(5-fluoro-3-pyridinyl)cinnolin-3-yl]-1-[2-(1-propan-2-ylpiperidin-4-yl)-1,3-oxazol-4-yl]ethanone
• PubChem CID: 147078959
• Molecular Formula: C26H26FN5O2
• Molecular Weight: 459.53 g/mol
• Exact Mass: 459.21
• IUPAC Name: 2-[6-(5-fluoro-3-pyridinyl)cinnolin-3-yl]-1-[2-(1-propan-2-ylpiperidin-4-yl)-1,3-oxazol-4-yl]ethanone
• SMILES: CC(C)N1CCC(c2nc(C(=O)Cc3cc4cc(-c5cncc(F)c5)ccc4nn3)co2)CC1
• InChI: InChI=1S/C26H26FN5O2/c1-16(2)32-7-5-17(6-8-32)26-29-24(15-34-26)25(33)12-22-11-19-9-18(3-4-23(19)31-30-22)20-10-21(27)14-28-13-20/h3-4,9-11,13-17H,5-8,12H2,1-2H3
• InChIKey: BGNKBVJEOVBGQZ-UHFFFAOYSA-N
• XLogP: 4.83
• TPSA: 85.01 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	459.53
LogP ≤ 5	4.83
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-[6-(5-fluoro-3-pyridinyl)cinnolin-3-yl]-1-[2-(1-propan-2-ylpiperidin-4-yl)-1,3-oxazol-4-yl]ethanone?

The IUPAC name of 2-[6-(5-fluoro-3-pyridinyl)cinnolin-3-yl]-1-[2-(1-propan-2-ylpiperidin-4-yl)-1,3-oxazol-4-yl]ethanone (CID 147078959) is 2-[6-(5-fluoro-3-pyridinyl)cinnolin-3-yl]-1-[2-(1-propan-2-ylpiperidin-4-yl)-1,3-oxazol-4-yl]ethanone.

What is the SMILES notation for 2-[6-(5-fluoro-3-pyridinyl)cinnolin-3-yl]-1-[2-(1-propan-2-ylpiperidin-4-yl)-1,3-oxazol-4-yl]ethanone?

The canonical SMILES for 2-[6-(5-fluoro-3-pyridinyl)cinnolin-3-yl]-1-[2-(1-propan-2-ylpiperidin-4-yl)-1,3-oxazol-4-yl]ethanone is CC(C)N1CCC(c2nc(C(=O)Cc3cc4cc(-c5cncc(F)c5)ccc4nn3)co2)CC1.

What is the InChIKey of 2-[6-(5-fluoro-3-pyridinyl)cinnolin-3-yl]-1-[2-(1-propan-2-ylpiperidin-4-yl)-1,3-oxazol-4-yl]ethanone?

The InChIKey is BGNKBVJEOVBGQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26FN5O2/c1-16(2)32-7-5-17(6-8-32)26-29-24(15-34-26)25(33)12-22-11-19-9-18(3-4-23(19)31-30-22)20-10-21(27)14-28-13-20/h3-4,9-11,13-17H,5-8,12H2,1-2H3.

What are the key properties of 2-[6-(5-fluoro-3-pyridinyl)cinnolin-3-yl]-1-[2-(1-propan-2-ylpiperidin-4-yl)-1,3-oxazol-4-yl]ethanone?

2-[6-(5-fluoro-3-pyridinyl)cinnolin-3-yl]-1-[2-(1-propan-2-ylpiperidin-4-yl)-1,3-oxazol-4-yl]ethanone has a molecular weight of 459.53 g/mol, XLogP of 4.83, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[6-(5-fluoro-3-pyridinyl)cinnolin-3-yl]-1-[2-(1-propan-2-ylpiperidin-4-yl)-1,3-oxazol-4-yl]ethanone is sourced from PubChem (CID 147078959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).