8-[6-[[2-(3-azabicyclo[3.1.0]hexan-3-yl)-2-methylpropoxy]methyl]-3-pyridinyl]-3-methyl-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one

C28H34N6O2 — CID 170648338

About 8-[6-[[2-(3-azabicyclo[3.1.0]hexan-3-yl)-2-methylpropoxy]methyl]-3-pyridinyl]-3-methyl-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one

8-[6-[[2-(3-azabicyclo[3.1.0]hexan-3-yl)-2-methylpropoxy]methyl]-3-pyridinyl]-3-methyl-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one (PubChem CID 170648338) has the molecular formula C28H34N6O2 and a molecular weight of 486.62 g/mol. Its IUPAC name is 8-[6-[[2-(3-azabicyclo[3.1.0]hexan-3-yl)-2-methylpropoxy]methyl]-3-pyridinyl]-3-methyl-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one.

Molecular Properties

• Compound Name: 8-[6-[[2-(3-azabicyclo[3.1.0]hexan-3-yl)-2-methylpropoxy]methyl]-3-pyridinyl]-3-methyl-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one
• PubChem CID: 170648338
• Molecular Formula: C28H34N6O2
• Molecular Weight: 486.62 g/mol
• Exact Mass: 486.27
• IUPAC Name: 8-[6-[[2-(3-azabicyclo[3.1.0]hexan-3-yl)-2-methylpropoxy]methyl]-3-pyridinyl]-3-methyl-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one
• SMILES: CC(C)n1c(=O)n(C)c2nnc3ccc(-c4ccc(COCC(C)(C)N5CC6CC6C5)nc4)cc3c21
• InChI: InChI=1S/C28H34N6O2/c1-17(2)34-25-23-11-18(7-9-24(23)30-31-26(25)32(5)27(34)35)19-6-8-22(29-12-19)15-36-16-28(3,4)33-13-20-10-21(20)14-33/h6-9,11-12,17,20-21H,10,13-16H2,1-5H3
• InChIKey: DPUZFCSNIXKPEK-UHFFFAOYSA-N
• XLogP: 4.17
• TPSA: 78.07 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	486.62
LogP ≤ 5	4.17
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 8-[6-[[2-(3-azabicyclo[3.1.0]hexan-3-yl)-2-methylpropoxy]methyl]-3-pyridinyl]-3-methyl-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one?

The IUPAC name of 8-[6-[[2-(3-azabicyclo[3.1.0]hexan-3-yl)-2-methylpropoxy]methyl]-3-pyridinyl]-3-methyl-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one (CID 170648338) is 8-[6-[[2-(3-azabicyclo[3.1.0]hexan-3-yl)-2-methylpropoxy]methyl]-3-pyridinyl]-3-methyl-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one.

What is the SMILES notation for 8-[6-[[2-(3-azabicyclo[3.1.0]hexan-3-yl)-2-methylpropoxy]methyl]-3-pyridinyl]-3-methyl-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one?

The canonical SMILES for 8-[6-[[2-(3-azabicyclo[3.1.0]hexan-3-yl)-2-methylpropoxy]methyl]-3-pyridinyl]-3-methyl-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one is CC(C)n1c(=O)n(C)c2nnc3ccc(-c4ccc(COCC(C)(C)N5CC6CC6C5)nc4)cc3c21.

What is the InChIKey of 8-[6-[[2-(3-azabicyclo[3.1.0]hexan-3-yl)-2-methylpropoxy]methyl]-3-pyridinyl]-3-methyl-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one?

The InChIKey is DPUZFCSNIXKPEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N6O2/c1-17(2)34-25-23-11-18(7-9-24(23)30-31-26(25)32(5)27(34)35)19-6-8-22(29-12-19)15-36-16-28(3,4)33-13-20-10-21(20)14-33/h6-9,11-12,17,20-21H,10,13-16H2,1-5H3.

What are the key properties of 8-[6-[[2-(3-azabicyclo[3.1.0]hexan-3-yl)-2-methylpropoxy]methyl]-3-pyridinyl]-3-methyl-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one?

8-[6-[[2-(3-azabicyclo[3.1.0]hexan-3-yl)-2-methylpropoxy]methyl]-3-pyridinyl]-3-methyl-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one has a molecular weight of 486.62 g/mol, XLogP of 4.17, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[6-[[2-(3-azabicyclo[3.1.0]hexan-3-yl)-2-methylpropoxy]methyl]-3-pyridinyl]-3-methyl-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one is sourced from PubChem (CID 170648338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).