2-(2-methoxyethyl)-8-[2-[[methyl-[2-(methylamino)ethyl]amino]methyl]-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-2-azaspiro[4.5]decan-1-one

C23H39N5O2 — CID 139451412

About 2-(2-methoxyethyl)-8-[2-[[methyl-[2-(methylamino)ethyl]amino]methyl]-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-2-azaspiro[4.5]decan-1-one

2-(2-methoxyethyl)-8-[2-[[methyl-[2-(methylamino)ethyl]amino]methyl]-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-2-azaspiro[4.5]decan-1-one (PubChem CID 139451412) has the molecular formula C23H39N5O2 and a molecular weight of 417.60 g/mol. Its IUPAC name is 2-(2-methoxyethyl)-8-[2-[[methyl-[2-(methylamino)ethyl]amino]methyl]-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-2-azaspiro[4.5]decan-1-one.

Molecular Properties

• Compound Name: 2-(2-methoxyethyl)-8-[2-[[methyl-[2-(methylamino)ethyl]amino]methyl]-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-2-azaspiro[4.5]decan-1-one
• PubChem CID: 139451412
• Molecular Formula: C23H39N5O2
• Molecular Weight: 417.60 g/mol
• Exact Mass: 417.31
• IUPAC Name: 2-(2-methoxyethyl)-8-[2-[[methyl-[2-(methylamino)ethyl]amino]methyl]-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-2-azaspiro[4.5]decan-1-one
• SMILES: CNCCN(C)Cc1nn2c(c1C1CCC3(CC1)CCN(CCOC)C3=O)CCC2
• InChI: InChI=1S/C23H39N5O2/c1-24-11-14-26(2)17-19-21(20-5-4-12-28(20)25-19)18-6-8-23(9-7-18)10-13-27(22(23)29)15-16-30-3/h18,24H,4-17H2,1-3H3
• InChIKey: DMRDHZGYMVKKHA-UHFFFAOYSA-N
• XLogP: 2.00
• TPSA: 62.63 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	417.60
LogP ≤ 5	2.00
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 2-(2-methoxyethyl)-8-[2-[[methyl-[2-(methylamino)ethyl]amino]methyl]-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-2-azaspiro[4.5]decan-1-one (CID 139451412) is 2-(2-methoxyethyl)-8-[2-[[methyl-[2-(methylamino)ethyl]amino]methyl]-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-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]-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-2-azaspiro[4.5]decan-1-one?

The canonical SMILES for 2-(2-methoxyethyl)-8-[2-[[methyl-[2-(methylamino)ethyl]amino]methyl]-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-2-azaspiro[4.5]decan-1-one is CNCCN(C)Cc1nn2c(c1C1CCC3(CC1)CCN(CCOC)C3=O)CCC2.

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

The InChIKey is DMRDHZGYMVKKHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H39N5O2/c1-24-11-14-26(2)17-19-21(20-5-4-12-28(20)25-19)18-6-8-23(9-7-18)10-13-27(22(23)29)15-16-30-3/h18,24H,4-17H2,1-3H3.

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

2-(2-methoxyethyl)-8-[2-[[methyl-[2-(methylamino)ethyl]amino]methyl]-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-2-azaspiro[4.5]decan-1-one has a molecular weight of 417.60 g/mol, XLogP of 2.00, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2-methoxyethyl)-8-[2-[[methyl-[2-(methylamino)ethyl]amino]methyl]-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-2-azaspiro[4.5]decan-1-one is sourced from PubChem (CID 139451412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).