8-[6-[(1R)-1-[2-(3-azabicyclo[3.1.0]hexan-3-yl)ethoxy]ethyl]-3-pyridinyl]-3-methyl-1-(oxan-4-yl)imidazo[4,5-c]cinnolin-2-one

C29H34N6O3 — CID 170648295

About 8-[6-[(1R)-1-[2-(3-azabicyclo[3.1.0]hexan-3-yl)ethoxy]ethyl]-3-pyridinyl]-3-methyl-1-(oxan-4-yl)imidazo[4,5-c]cinnolin-2-one

8-[6-[(1R)-1-[2-(3-azabicyclo[3.1.0]hexan-3-yl)ethoxy]ethyl]-3-pyridinyl]-3-methyl-1-(oxan-4-yl)imidazo[4,5-c]cinnolin-2-one (PubChem CID 170648295) has the molecular formula C29H34N6O3 and a molecular weight of 514.63 g/mol. Its IUPAC name is 8-[6-[(1R)-1-[2-(3-azabicyclo[3.1.0]hexan-3-yl)ethoxy]ethyl]-3-pyridinyl]-3-methyl-1-(oxan-4-yl)imidazo[4,5-c]cinnolin-2-one.

Molecular Properties

• Compound Name: 8-[6-[(1R)-1-[2-(3-azabicyclo[3.1.0]hexan-3-yl)ethoxy]ethyl]-3-pyridinyl]-3-methyl-1-(oxan-4-yl)imidazo[4,5-c]cinnolin-2-one
• PubChem CID: 170648295
• Molecular Formula: C29H34N6O3
• Molecular Weight: 514.63 g/mol
• Exact Mass: 514.27
• IUPAC Name: 8-[6-[(1R)-1-[2-(3-azabicyclo[3.1.0]hexan-3-yl)ethoxy]ethyl]-3-pyridinyl]-3-methyl-1-(oxan-4-yl)imidazo[4,5-c]cinnolin-2-one
• SMILES: C[C@@H](OCCN1CC2CC2C1)c1ccc(-c2ccc3nnc4c(c3c2)n(C2CCOCC2)c(=O)n4C)cn1
• InChI: InChI=1S/C29H34N6O3/c1-18(38-12-9-34-16-21-13-22(21)17-34)25-5-4-20(15-30-25)19-3-6-26-24(14-19)27-28(32-31-26)33(2)29(36)35(27)23-7-10-37-11-8-23/h3-6,14-15,18,21-23H,7-13,16-17H2,1-2H3/t18-,21?,22?/m1/s1
• InChIKey: YRGNSXDRCHAQDX-OSFYOIPJSA-N
• XLogP: 3.73
• TPSA: 87.30 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	514.63
LogP ≤ 5	3.73
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 8-[6-[(1R)-1-[2-(3-azabicyclo[3.1.0]hexan-3-yl)ethoxy]ethyl]-3-pyridinyl]-3-methyl-1-(oxan-4-yl)imidazo[4,5-c]cinnolin-2-one?

The IUPAC name of 8-[6-[(1R)-1-[2-(3-azabicyclo[3.1.0]hexan-3-yl)ethoxy]ethyl]-3-pyridinyl]-3-methyl-1-(oxan-4-yl)imidazo[4,5-c]cinnolin-2-one (CID 170648295) is 8-[6-[(1R)-1-[2-(3-azabicyclo[3.1.0]hexan-3-yl)ethoxy]ethyl]-3-pyridinyl]-3-methyl-1-(oxan-4-yl)imidazo[4,5-c]cinnolin-2-one.

What is the SMILES notation for 8-[6-[(1R)-1-[2-(3-azabicyclo[3.1.0]hexan-3-yl)ethoxy]ethyl]-3-pyridinyl]-3-methyl-1-(oxan-4-yl)imidazo[4,5-c]cinnolin-2-one?

The canonical SMILES for 8-[6-[(1R)-1-[2-(3-azabicyclo[3.1.0]hexan-3-yl)ethoxy]ethyl]-3-pyridinyl]-3-methyl-1-(oxan-4-yl)imidazo[4,5-c]cinnolin-2-one is C[C@@H](OCCN1CC2CC2C1)c1ccc(-c2ccc3nnc4c(c3c2)n(C2CCOCC2)c(=O)n4C)cn1.

What is the InChIKey of 8-[6-[(1R)-1-[2-(3-azabicyclo[3.1.0]hexan-3-yl)ethoxy]ethyl]-3-pyridinyl]-3-methyl-1-(oxan-4-yl)imidazo[4,5-c]cinnolin-2-one?

The InChIKey is YRGNSXDRCHAQDX-OSFYOIPJSA-N. The full InChI is InChI=1S/C29H34N6O3/c1-18(38-12-9-34-16-21-13-22(21)17-34)25-5-4-20(15-30-25)19-3-6-26-24(14-19)27-28(32-31-26)33(2)29(36)35(27)23-7-10-37-11-8-23/h3-6,14-15,18,21-23H,7-13,16-17H2,1-2H3/t18-,21?,22?/m1/s1.

What are the key properties of 8-[6-[(1R)-1-[2-(3-azabicyclo[3.1.0]hexan-3-yl)ethoxy]ethyl]-3-pyridinyl]-3-methyl-1-(oxan-4-yl)imidazo[4,5-c]cinnolin-2-one?

8-[6-[(1R)-1-[2-(3-azabicyclo[3.1.0]hexan-3-yl)ethoxy]ethyl]-3-pyridinyl]-3-methyl-1-(oxan-4-yl)imidazo[4,5-c]cinnolin-2-one has a molecular weight of 514.63 g/mol, XLogP of 3.73, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[6-[(1R)-1-[2-(3-azabicyclo[3.1.0]hexan-3-yl)ethoxy]ethyl]-3-pyridinyl]-3-methyl-1-(oxan-4-yl)imidazo[4,5-c]cinnolin-2-one is sourced from PubChem (CID 170648295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).