2-(2-methoxyethyl)-8-[2-[[methyl-[2-(methylamino)ethyl]amino]methyl]-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-3-yl]-2-azaspiro[4.5]decan-1-one

C23H39N5O3 — CID 139456593

About 2-(2-methoxyethyl)-8-[2-[[methyl-[2-(methylamino)ethyl]amino]methyl]-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-3-yl]-2-azaspiro[4.5]decan-1-one

2-(2-methoxyethyl)-8-[2-[[methyl-[2-(methylamino)ethyl]amino]methyl]-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-3-yl]-2-azaspiro[4.5]decan-1-one (PubChem CID 139456593) has the molecular formula C23H39N5O3 and a molecular weight of 433.60 g/mol. Its IUPAC name is 2-(2-methoxyethyl)-8-[2-[[methyl-[2-(methylamino)ethyl]amino]methyl]-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-3-yl]-2-azaspiro[4.5]decan-1-one.

Molecular Properties

• Compound Name: 2-(2-methoxyethyl)-8-[2-[[methyl-[2-(methylamino)ethyl]amino]methyl]-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-3-yl]-2-azaspiro[4.5]decan-1-one
• PubChem CID: 139456593
• Molecular Formula: C23H39N5O3
• Molecular Weight: 433.60 g/mol
• Exact Mass: 433.31
• IUPAC Name: 2-(2-methoxyethyl)-8-[2-[[methyl-[2-(methylamino)ethyl]amino]methyl]-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-3-yl]-2-azaspiro[4.5]decan-1-one
• SMILES: CNCCN(C)Cc1nn2c(c1C1CCC3(CC1)CCN(CCOC)C3=O)COCC2
• InChI: InChI=1S/C23H39N5O3/c1-24-9-11-26(2)16-19-21(20-17-31-15-13-28(20)25-19)18-4-6-23(7-5-18)8-10-27(22(23)29)12-14-30-3/h18,24H,4-17H2,1-3H3
• InChIKey: QVEYXGSFFIKEDC-UHFFFAOYSA-N
• XLogP: 1.59
• TPSA: 71.86 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	433.60
LogP ≤ 5	1.59
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethyl)-8-[2-[[methyl-[2-(methylamino)ethyl]amino]methyl]-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-3-yl]-2-azaspiro[4.5]decan-1-one?

The IUPAC name of 2-(2-methoxyethyl)-8-[2-[[methyl-[2-(methylamino)ethyl]amino]methyl]-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-3-yl]-2-azaspiro[4.5]decan-1-one (CID 139456593) is 2-(2-methoxyethyl)-8-[2-[[methyl-[2-(methylamino)ethyl]amino]methyl]-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-3-yl]-2-azaspiro[4.5]decan-1-one.

What is the SMILES notation for 2-(2-methoxyethyl)-8-[2-[[methyl-[2-(methylamino)ethyl]amino]methyl]-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-3-yl]-2-azaspiro[4.5]decan-1-one?

The canonical SMILES for 2-(2-methoxyethyl)-8-[2-[[methyl-[2-(methylamino)ethyl]amino]methyl]-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-3-yl]-2-azaspiro[4.5]decan-1-one is CNCCN(C)Cc1nn2c(c1C1CCC3(CC1)CCN(CCOC)C3=O)COCC2.

What is the InChIKey of 2-(2-methoxyethyl)-8-[2-[[methyl-[2-(methylamino)ethyl]amino]methyl]-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-3-yl]-2-azaspiro[4.5]decan-1-one?

The InChIKey is QVEYXGSFFIKEDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H39N5O3/c1-24-9-11-26(2)16-19-21(20-17-31-15-13-28(20)25-19)18-4-6-23(7-5-18)8-10-27(22(23)29)12-14-30-3/h18,24H,4-17H2,1-3H3.

What are the key properties of 2-(2-methoxyethyl)-8-[2-[[methyl-[2-(methylamino)ethyl]amino]methyl]-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-3-yl]-2-azaspiro[4.5]decan-1-one?

2-(2-methoxyethyl)-8-[2-[[methyl-[2-(methylamino)ethyl]amino]methyl]-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-3-yl]-2-azaspiro[4.5]decan-1-one has a molecular weight of 433.60 g/mol, XLogP of 1.59, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2-methoxyethyl)-8-[2-[[methyl-[2-(methylamino)ethyl]amino]methyl]-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-3-yl]-2-azaspiro[4.5]decan-1-one is sourced from PubChem (CID 139456593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).