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

C24H25FN4O3 — CID 135220667

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

N-[4-[2-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl]-2-pyridinyl]-2-(oxan-3-yl)acetamide (PubChem CID 135220667) has the molecular formula C24H25FN4O3 and a molecular weight of 436.49 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-(oxan-3-yl)acetamide.

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-(oxan-3-yl)acetamide
• PubChem CID: 135220667
• Molecular Formula: C24H25FN4O3
• Molecular Weight: 436.49 g/mol
• Exact Mass: 436.19
• IUPAC Name: N-[4-[2-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl]-2-pyridinyl]-2-(oxan-3-yl)acetamide
• SMILES: O=C(CC1CCCOC1)Nc1cc(-c2c(-c3ccc(F)cc3)nn3c2OCCC3)ccn1
• InChI: InChI=1S/C24H25FN4O3/c25-19-6-4-17(5-7-19)23-22(24-29(28-23)10-2-12-32-24)18-8-9-26-20(14-18)27-21(30)13-16-3-1-11-31-15-16/h4-9,14,16H,1-3,10-13,15H2,(H,26,27,30)
• InChIKey: TXIPGPKHTZXRQU-UHFFFAOYSA-N
• XLogP: 4.29
• TPSA: 78.27 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	436.49
LogP ≤ 5	4.29
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

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-(oxan-3-yl)acetamide?

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-(oxan-3-yl)acetamide (CID 135220667) is N-[4-[2-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl]-2-pyridinyl]-2-(oxan-3-yl)acetamide.

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-(oxan-3-yl)acetamide?

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-(oxan-3-yl)acetamide is O=C(CC1CCCOC1)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-(oxan-3-yl)acetamide?

The InChIKey is TXIPGPKHTZXRQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN4O3/c25-19-6-4-17(5-7-19)23-22(24-29(28-23)10-2-12-32-24)18-8-9-26-20(14-18)27-21(30)13-16-3-1-11-31-15-16/h4-9,14,16H,1-3,10-13,15H2,(H,26,27,30).

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-(oxan-3-yl)acetamide?

N-[4-[2-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl]-2-pyridinyl]-2-(oxan-3-yl)acetamide has a molecular weight of 436.49 g/mol, XLogP of 4.29, 5 rotatable bonds, 1 hydrogen bond donors, and 6 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-(oxan-3-yl)acetamide is sourced from PubChem (CID 135220667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).