6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl-[3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]methanone

C17H20FN5O3 — CID 121017740

About 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl-[3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]methanone

6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl-[3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]methanone (PubChem CID 121017740) has the molecular formula C17H20FN5O3 and a molecular weight of 361.38 g/mol. Its IUPAC name is 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl-[3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]methanone.

Molecular Properties

• Compound Name: 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl-[3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]methanone
• PubChem CID: 121017740
• Molecular Formula: C17H20FN5O3
• Molecular Weight: 361.38 g/mol
• Exact Mass: 361.16
• IUPAC Name: 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl-[3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]methanone
• SMILES: CCc1ncnc(OC2CCN(C(=O)c3cnn4c3OCCC4)C2)c1F
• InChI: InChI=1S/C17H20FN5O3/c1-2-13-14(18)15(20-10-19-13)26-11-4-6-22(9-11)16(24)12-8-21-23-5-3-7-25-17(12)23/h8,10-11H,2-7,9H2,1H3
• InChIKey: CZFHYKSJQULKNP-UHFFFAOYSA-N
• XLogP: 1.45
• TPSA: 82.37 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	361.38
LogP ≤ 5	1.45
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl-[3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]methanone?

The IUPAC name of 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl-[3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]methanone (CID 121017740) is 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl-[3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]methanone.

What is the SMILES notation for 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl-[3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]methanone?

The canonical SMILES for 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl-[3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]methanone is CCc1ncnc(OC2CCN(C(=O)c3cnn4c3OCCC4)C2)c1F.

What is the InChIKey of 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl-[3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]methanone?

The InChIKey is CZFHYKSJQULKNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN5O3/c1-2-13-14(18)15(20-10-19-13)26-11-4-6-22(9-11)16(24)12-8-21-23-5-3-7-25-17(12)23/h8,10-11H,2-7,9H2,1H3.

What are the key properties of 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl-[3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]methanone?

6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl-[3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]methanone has a molecular weight of 361.38 g/mol, XLogP of 1.45, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl-[3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]methanone is sourced from PubChem (CID 121017740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).