2-[[1-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-3-ylmethyl)piperidin-4-yl]methyl]-6-pyrazol-1-ylpyridazin-3-one

C20H25N7O2 — CID 126864438

About 2-[[1-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-3-ylmethyl)piperidin-4-yl]methyl]-6-pyrazol-1-ylpyridazin-3-one

2-[[1-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-3-ylmethyl)piperidin-4-yl]methyl]-6-pyrazol-1-ylpyridazin-3-one (PubChem CID 126864438) has the molecular formula C20H25N7O2 and a molecular weight of 395.47 g/mol. Its IUPAC name is 2-[[1-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-3-ylmethyl)piperidin-4-yl]methyl]-6-pyrazol-1-ylpyridazin-3-one.

Molecular Properties

• Compound Name: 2-[[1-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-3-ylmethyl)piperidin-4-yl]methyl]-6-pyrazol-1-ylpyridazin-3-one
• PubChem CID: 126864438
• Molecular Formula: C20H25N7O2
• Molecular Weight: 395.47 g/mol
• Exact Mass: 395.21
• IUPAC Name: 2-[[1-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-3-ylmethyl)piperidin-4-yl]methyl]-6-pyrazol-1-ylpyridazin-3-one
• SMILES: O=c1ccc(-n2cccn2)nn1CC1CCN(Cc2cnn3c2COCC3)CC1
• InChI: InChI=1S/C20H25N7O2/c28-20-3-2-19(26-7-1-6-21-26)23-27(20)13-16-4-8-24(9-5-16)14-17-12-22-25-10-11-29-15-18(17)25/h1-3,6-7,12,16H,4-5,8-11,13-15H2
• InChIKey: FIMSNSBHZAIOAO-UHFFFAOYSA-N
• XLogP: 1.07
• TPSA: 83.00 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	395.47
LogP ≤ 5	1.07
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-3-ylmethyl)piperidin-4-yl]methyl]-6-pyrazol-1-ylpyridazin-3-one?

The IUPAC name of 2-[[1-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-3-ylmethyl)piperidin-4-yl]methyl]-6-pyrazol-1-ylpyridazin-3-one (CID 126864438) is 2-[[1-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-3-ylmethyl)piperidin-4-yl]methyl]-6-pyrazol-1-ylpyridazin-3-one.

What is the SMILES notation for 2-[[1-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-3-ylmethyl)piperidin-4-yl]methyl]-6-pyrazol-1-ylpyridazin-3-one?

The canonical SMILES for 2-[[1-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-3-ylmethyl)piperidin-4-yl]methyl]-6-pyrazol-1-ylpyridazin-3-one is O=c1ccc(-n2cccn2)nn1CC1CCN(Cc2cnn3c2COCC3)CC1.

What is the InChIKey of 2-[[1-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-3-ylmethyl)piperidin-4-yl]methyl]-6-pyrazol-1-ylpyridazin-3-one?

The InChIKey is FIMSNSBHZAIOAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N7O2/c28-20-3-2-19(26-7-1-6-21-26)23-27(20)13-16-4-8-24(9-5-16)14-17-12-22-25-10-11-29-15-18(17)25/h1-3,6-7,12,16H,4-5,8-11,13-15H2.

What are the key properties of 2-[[1-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-3-ylmethyl)piperidin-4-yl]methyl]-6-pyrazol-1-ylpyridazin-3-one?

2-[[1-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-3-ylmethyl)piperidin-4-yl]methyl]-6-pyrazol-1-ylpyridazin-3-one has a molecular weight of 395.47 g/mol, XLogP of 1.07, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[1-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-3-ylmethyl)piperidin-4-yl]methyl]-6-pyrazol-1-ylpyridazin-3-one is sourced from PubChem (CID 126864438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).