2-ethyl-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

C22H37N5O2 — CID 139451384

About 2-ethyl-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-ethyl-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 139451384) has the molecular formula C22H37N5O2 and a molecular weight of 403.57 g/mol. Its IUPAC name is 2-ethyl-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-ethyl-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: 139451384
• Molecular Formula: C22H37N5O2
• Molecular Weight: 403.57 g/mol
• Exact Mass: 403.29
• IUPAC Name: 2-ethyl-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: CCN1CCC2(CCC(c3c(CN(C)CCNC)nn4c3COCC4)CC2)C1=O
• InChI: InChI=1S/C22H37N5O2/c1-4-26-11-9-22(21(26)28)7-5-17(6-8-22)20-18(15-25(3)12-10-23-2)24-27-13-14-29-16-19(20)27/h17,23H,4-16H2,1-3H3
• InChIKey: DOIDYAZUDLVRNU-UHFFFAOYSA-N
• XLogP: 1.96
• TPSA: 62.63 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	403.57
LogP ≤ 5	1.96
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-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-ethyl-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 139451384) is 2-ethyl-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-ethyl-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-ethyl-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 CCN1CCC2(CCC(c3c(CN(C)CCNC)nn4c3COCC4)CC2)C1=O.

What is the InChIKey of 2-ethyl-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 DOIDYAZUDLVRNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H37N5O2/c1-4-26-11-9-22(21(26)28)7-5-17(6-8-22)20-18(15-25(3)12-10-23-2)24-27-13-14-29-16-19(20)27/h17,23H,4-16H2,1-3H3.

What are the key properties of 2-ethyl-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-ethyl-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 403.57 g/mol, XLogP of 1.96, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-ethyl-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 139451384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).