3-methyl-8-[4-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1-[[8-[4-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1H-pyrazol-5-yl]-1-oxo-2-azaspiro[4.5]decan-2-yl]methyl]pyrazol-3-yl]-1-(2-methylpropyl)-1,3-diazaspiro[4.5]decan-2-one

C39H67N11O2 — CID 123629255

About 3-methyl-8-[4-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1-[[8-[4-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1H-pyrazol-5-yl]-1-oxo-2-azaspiro[4.5]decan-2-yl]methyl]pyrazol-3-yl]-1-(2-methylpropyl)-1,3-diazaspiro[4.5]decan-2-one

3-methyl-8-[4-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1-[[8-[4-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1H-pyrazol-5-yl]-1-oxo-2-azaspiro[4.5]decan-2-yl]methyl]pyrazol-3-yl]-1-(2-methylpropyl)-1,3-diazaspiro[4.5]decan-2-one (PubChem CID 123629255) has the molecular formula C39H67N11O2 and a molecular weight of 722.04 g/mol. Its IUPAC name is 3-methyl-8-[4-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1-[[8-[4-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1H-pyrazol-5-yl]-1-oxo-2-azaspiro[4.5]decan-2-yl]methyl]pyrazol-3-yl]-1-(2-methylpropyl)-1,3-diazaspiro[4.5]decan-2-one.

Molecular Properties

• Compound Name: 3-methyl-8-[4-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1-[[8-[4-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1H-pyrazol-5-yl]-1-oxo-2-azaspiro[4.5]decan-2-yl]methyl]pyrazol-3-yl]-1-(2-methylpropyl)-1,3-diazaspiro[4.5]decan-2-one
• PubChem CID: 123629255
• Molecular Formula: C39H67N11O2
• Molecular Weight: 722.04 g/mol
• Exact Mass: 721.55
• IUPAC Name: 3-methyl-8-[4-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1-[[8-[4-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1H-pyrazol-5-yl]-1-oxo-2-azaspiro[4.5]decan-2-yl]methyl]pyrazol-3-yl]-1-(2-methylpropyl)-1,3-diazaspiro[4.5]decan-2-one
• SMILES: CNCCN(C)Cc1cn(CN2CCC3(CCC(c4[nH]ncc4CN(C)CCNC)CC3)C2=O)nc1C1CCC2(CC1)CN(C)C(=O)N2CC(C)C
• InChI: InChI=1S/C39H67N11O2/c1-29(2)23-50-37(52)47(7)27-39(50)14-10-31(11-15-39)35-33(25-46(6)21-18-41-4)26-49(44-35)28-48-19-16-38(36(48)51)12-8-30(9-13-38)34-32(22-42-43-34)24-45(5)20-17-40-3/h22,26,29-31,40-41H,8-21,23-25,27-28H2,1-7H3,(H,42,43)
• InChIKey: FSHGOEFKXMHOIZ-UHFFFAOYSA-N
• XLogP: 3.86
• TPSA: 120.90 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 16
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	722.04
LogP ≤ 5	3.86
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 3-methyl-8-[4-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1-[[8-[4-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1H-pyrazol-5-yl]-1-oxo-2-azaspiro[4.5]decan-2-yl]methyl]pyrazol-3-yl]-1-(2-methylpropyl)-1,3-diazaspiro[4.5]decan-2-one?

The IUPAC name of 3-methyl-8-[4-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1-[[8-[4-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1H-pyrazol-5-yl]-1-oxo-2-azaspiro[4.5]decan-2-yl]methyl]pyrazol-3-yl]-1-(2-methylpropyl)-1,3-diazaspiro[4.5]decan-2-one (CID 123629255) is 3-methyl-8-[4-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1-[[8-[4-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1H-pyrazol-5-yl]-1-oxo-2-azaspiro[4.5]decan-2-yl]methyl]pyrazol-3-yl]-1-(2-methylpropyl)-1,3-diazaspiro[4.5]decan-2-one.

What is the SMILES notation for 3-methyl-8-[4-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1-[[8-[4-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1H-pyrazol-5-yl]-1-oxo-2-azaspiro[4.5]decan-2-yl]methyl]pyrazol-3-yl]-1-(2-methylpropyl)-1,3-diazaspiro[4.5]decan-2-one?

The canonical SMILES for 3-methyl-8-[4-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1-[[8-[4-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1H-pyrazol-5-yl]-1-oxo-2-azaspiro[4.5]decan-2-yl]methyl]pyrazol-3-yl]-1-(2-methylpropyl)-1,3-diazaspiro[4.5]decan-2-one is CNCCN(C)Cc1cn(CN2CCC3(CCC(c4[nH]ncc4CN(C)CCNC)CC3)C2=O)nc1C1CCC2(CC1)CN(C)C(=O)N2CC(C)C.

What is the InChIKey of 3-methyl-8-[4-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1-[[8-[4-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1H-pyrazol-5-yl]-1-oxo-2-azaspiro[4.5]decan-2-yl]methyl]pyrazol-3-yl]-1-(2-methylpropyl)-1,3-diazaspiro[4.5]decan-2-one?

The InChIKey is FSHGOEFKXMHOIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H67N11O2/c1-29(2)23-50-37(52)47(7)27-39(50)14-10-31(11-15-39)35-33(25-46(6)21-18-41-4)26-49(44-35)28-48-19-16-38(36(48)51)12-8-30(9-13-38)34-32(22-42-43-34)24-45(5)20-17-40-3/h22,26,29-31,40-41H,8-21,23-25,27-28H2,1-7H3,(H,42,43).

What are the key properties of 3-methyl-8-[4-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1-[[8-[4-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1H-pyrazol-5-yl]-1-oxo-2-azaspiro[4.5]decan-2-yl]methyl]pyrazol-3-yl]-1-(2-methylpropyl)-1,3-diazaspiro[4.5]decan-2-one?

3-methyl-8-[4-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1-[[8-[4-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1H-pyrazol-5-yl]-1-oxo-2-azaspiro[4.5]decan-2-yl]methyl]pyrazol-3-yl]-1-(2-methylpropyl)-1,3-diazaspiro[4.5]decan-2-one has a molecular weight of 722.04 g/mol, XLogP of 3.86, 16 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 3-methyl-8-[4-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1-[[8-[4-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1H-pyrazol-5-yl]-1-oxo-2-azaspiro[4.5]decan-2-yl]methyl]pyrazol-3-yl]-1-(2-methylpropyl)-1,3-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 123629255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).