6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl-[(3S)-3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]methanone

C16H19N5O4 — CID 100633287

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

6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl-[(3S)-3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]methanone (PubChem CID 100633287) has the molecular formula C16H19N5O4 and a molecular weight of 345.36 g/mol. Its IUPAC name is 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl-[(3S)-3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]methanone.

Molecular Properties

• Compound Name: 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl-[(3S)-3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]methanone
• PubChem CID: 100633287
• Molecular Formula: C16H19N5O4
• Molecular Weight: 345.36 g/mol
• Exact Mass: 345.14
• IUPAC Name: 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl-[(3S)-3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]methanone
• SMILES: COc1ccc(O[C@H]2CCN(C(=O)c3cnn4c3OCCC4)C2)nn1
• InChI: InChI=1S/C16H19N5O4/c1-23-13-3-4-14(19-18-13)25-11-5-7-20(10-11)15(22)12-9-17-21-6-2-8-24-16(12)21/h3-4,9,11H,2,5-8,10H2,1H3/t11-/m0/s1
• InChIKey: PHEHZCDZAOBXTR-NSHDSACASA-N
• XLogP: 0.76
• TPSA: 91.60 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	345.36
LogP ≤ 5	0.76
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl-[(3S)-3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]methanone (CID 100633287) is 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl-[(3S)-3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]methanone.

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

The canonical SMILES for 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl-[(3S)-3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]methanone is COc1ccc(O[C@H]2CCN(C(=O)c3cnn4c3OCCC4)C2)nn1.

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

The InChIKey is PHEHZCDZAOBXTR-NSHDSACASA-N. The full InChI is InChI=1S/C16H19N5O4/c1-23-13-3-4-14(19-18-13)25-11-5-7-20(10-11)15(22)12-9-17-21-6-2-8-24-16(12)21/h3-4,9,11H,2,5-8,10H2,1H3/t11-/m0/s1.

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

6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl-[(3S)-3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]methanone has a molecular weight of 345.36 g/mol, XLogP of 0.76, 4 rotatable bonds, 0 hydrogen bond donors, and 8 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-[(3S)-3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]methanone is sourced from PubChem (CID 100633287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).