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

C24H41N5O — CID 139451447

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

8-[2-[[methyl-[2-(methylamino)ethyl]amino]methyl]-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-2-(2-methylpropyl)-2-azaspiro[4.5]decan-1-one (PubChem CID 139451447) has the molecular formula C24H41N5O and a molecular weight of 415.63 g/mol. Its IUPAC name is 8-[2-[[methyl-[2-(methylamino)ethyl]amino]methyl]-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-2-(2-methylpropyl)-2-azaspiro[4.5]decan-1-one.

Molecular Properties

• Compound Name: 8-[2-[[methyl-[2-(methylamino)ethyl]amino]methyl]-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-2-(2-methylpropyl)-2-azaspiro[4.5]decan-1-one
• PubChem CID: 139451447
• Molecular Formula: C24H41N5O
• Molecular Weight: 415.63 g/mol
• Exact Mass: 415.33
• IUPAC Name: 8-[2-[[methyl-[2-(methylamino)ethyl]amino]methyl]-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-2-(2-methylpropyl)-2-azaspiro[4.5]decan-1-one
• SMILES: CNCCN(C)Cc1nn2c(c1C1CCC3(CC1)CCN(CC(C)C)C3=O)CCC2
• InChI: InChI=1S/C24H41N5O/c1-18(2)16-28-14-11-24(23(28)30)9-7-19(8-10-24)22-20(17-27(4)15-12-25-3)26-29-13-5-6-21(22)29/h18-19,25H,5-17H2,1-4H3
• InChIKey: VUZROZGZRCKIQK-UHFFFAOYSA-N
• XLogP: 3.01
• TPSA: 53.40 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	415.63
LogP ≤ 5	3.01
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 8-[2-[[methyl-[2-(methylamino)ethyl]amino]methyl]-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-2-(2-methylpropyl)-2-azaspiro[4.5]decan-1-one (CID 139451447) is 8-[2-[[methyl-[2-(methylamino)ethyl]amino]methyl]-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-2-(2-methylpropyl)-2-azaspiro[4.5]decan-1-one.

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

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

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

The InChIKey is VUZROZGZRCKIQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H41N5O/c1-18(2)16-28-14-11-24(23(28)30)9-7-19(8-10-24)22-20(17-27(4)15-12-25-3)26-29-13-5-6-21(22)29/h18-19,25H,5-17H2,1-4H3.

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

8-[2-[[methyl-[2-(methylamino)ethyl]amino]methyl]-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-2-(2-methylpropyl)-2-azaspiro[4.5]decan-1-one has a molecular weight of 415.63 g/mol, XLogP of 3.01, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[2-[[methyl-[2-(methylamino)ethyl]amino]methyl]-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-2-(2-methylpropyl)-2-azaspiro[4.5]decan-1-one is sourced from PubChem (CID 139451447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).