N-[4-[2-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl]-2-pyridinyl]-2-pyrazol-1-ylacetamide

C22H19FN6O2 — CID 135220713

About N-[4-[2-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl]-2-pyridinyl]-2-pyrazol-1-ylacetamide

N-[4-[2-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl]-2-pyridinyl]-2-pyrazol-1-ylacetamide (PubChem CID 135220713) has the molecular formula C22H19FN6O2 and a molecular weight of 418.43 g/mol. Its IUPAC name is N-[4-[2-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl]-2-pyridinyl]-2-pyrazol-1-ylacetamide.

Molecular Properties

• Compound Name: N-[4-[2-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl]-2-pyridinyl]-2-pyrazol-1-ylacetamide
• PubChem CID: 135220713
• Molecular Formula: C22H19FN6O2
• Molecular Weight: 418.43 g/mol
• Exact Mass: 418.16
• IUPAC Name: N-[4-[2-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl]-2-pyridinyl]-2-pyrazol-1-ylacetamide
• SMILES: O=C(Cn1cccn1)Nc1cc(-c2c(-c3ccc(F)cc3)nn3c2OCCC3)ccn1
• InChI: InChI=1S/C22H19FN6O2/c23-17-5-3-15(4-6-17)21-20(22-29(27-21)11-2-12-31-22)16-7-9-24-18(13-16)26-19(30)14-28-10-1-8-25-28/h1,3-10,13H,2,11-12,14H2,(H,24,26,30)
• InChIKey: JNYPSCPGNOHJMH-UHFFFAOYSA-N
• XLogP: 3.37
• TPSA: 86.86 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	418.43
LogP ≤ 5	3.37
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl]-2-pyridinyl]-2-pyrazol-1-ylacetamide?

The IUPAC name of N-[4-[2-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl]-2-pyridinyl]-2-pyrazol-1-ylacetamide (CID 135220713) is N-[4-[2-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl]-2-pyridinyl]-2-pyrazol-1-ylacetamide.

What is the SMILES notation for N-[4-[2-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl]-2-pyridinyl]-2-pyrazol-1-ylacetamide?

The canonical SMILES for N-[4-[2-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl]-2-pyridinyl]-2-pyrazol-1-ylacetamide is O=C(Cn1cccn1)Nc1cc(-c2c(-c3ccc(F)cc3)nn3c2OCCC3)ccn1.

What is the InChIKey of N-[4-[2-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl]-2-pyridinyl]-2-pyrazol-1-ylacetamide?

The InChIKey is JNYPSCPGNOHJMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN6O2/c23-17-5-3-15(4-6-17)21-20(22-29(27-21)11-2-12-31-22)16-7-9-24-18(13-16)26-19(30)14-28-10-1-8-25-28/h1,3-10,13H,2,11-12,14H2,(H,24,26,30).

What are the key properties of N-[4-[2-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl]-2-pyridinyl]-2-pyrazol-1-ylacetamide?

N-[4-[2-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl]-2-pyridinyl]-2-pyrazol-1-ylacetamide has a molecular weight of 418.43 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[2-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl]-2-pyridinyl]-2-pyrazol-1-ylacetamide is sourced from PubChem (CID 135220713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).