8-[6-[1-[2-(4,4-dimethylpiperidin-1-yl)ethoxy]-2,2,2-trifluoroethyl]-3-pyridinyl]-3-methyl-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one

C29H35F3N6O2 — CID 170648318

About 8-[6-[1-[2-(4,4-dimethylpiperidin-1-yl)ethoxy]-2,2,2-trifluoroethyl]-3-pyridinyl]-3-methyl-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one

8-[6-[1-[2-(4,4-dimethylpiperidin-1-yl)ethoxy]-2,2,2-trifluoroethyl]-3-pyridinyl]-3-methyl-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one (PubChem CID 170648318) has the molecular formula C29H35F3N6O2 and a molecular weight of 556.63 g/mol. Its IUPAC name is 8-[6-[1-[2-(4,4-dimethylpiperidin-1-yl)ethoxy]-2,2,2-trifluoroethyl]-3-pyridinyl]-3-methyl-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one.

Molecular Properties

• Compound Name: 8-[6-[1-[2-(4,4-dimethylpiperidin-1-yl)ethoxy]-2,2,2-trifluoroethyl]-3-pyridinyl]-3-methyl-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one
• PubChem CID: 170648318
• Molecular Formula: C29H35F3N6O2
• Molecular Weight: 556.63 g/mol
• Exact Mass: 556.28
• IUPAC Name: 8-[6-[1-[2-(4,4-dimethylpiperidin-1-yl)ethoxy]-2,2,2-trifluoroethyl]-3-pyridinyl]-3-methyl-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one
• SMILES: CC(C)n1c(=O)n(C)c2nnc3ccc(-c4ccc(C(OCCN5CCC(C)(C)CC5)C(F)(F)F)nc4)cc3c21
• InChI: InChI=1S/C29H35F3N6O2/c1-18(2)38-24-21-16-19(6-8-22(21)34-35-26(24)36(5)27(38)39)20-7-9-23(33-17-20)25(29(30,31)32)40-15-14-37-12-10-28(3,4)11-13-37/h6-9,16-18,25H,10-15H2,1-5H3
• InChIKey: IRPCCFLOMXGJIL-UHFFFAOYSA-N
• XLogP: 5.67
• TPSA: 78.07 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	556.63
LogP ≤ 5	5.67
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 8-[6-[1-[2-(4,4-dimethylpiperidin-1-yl)ethoxy]-2,2,2-trifluoroethyl]-3-pyridinyl]-3-methyl-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one (CID 170648318) is 8-[6-[1-[2-(4,4-dimethylpiperidin-1-yl)ethoxy]-2,2,2-trifluoroethyl]-3-pyridinyl]-3-methyl-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one.

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

The canonical SMILES for 8-[6-[1-[2-(4,4-dimethylpiperidin-1-yl)ethoxy]-2,2,2-trifluoroethyl]-3-pyridinyl]-3-methyl-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one is CC(C)n1c(=O)n(C)c2nnc3ccc(-c4ccc(C(OCCN5CCC(C)(C)CC5)C(F)(F)F)nc4)cc3c21.

What is the InChIKey of 8-[6-[1-[2-(4,4-dimethylpiperidin-1-yl)ethoxy]-2,2,2-trifluoroethyl]-3-pyridinyl]-3-methyl-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one?

The InChIKey is IRPCCFLOMXGJIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35F3N6O2/c1-18(2)38-24-21-16-19(6-8-22(21)34-35-26(24)36(5)27(38)39)20-7-9-23(33-17-20)25(29(30,31)32)40-15-14-37-12-10-28(3,4)11-13-37/h6-9,16-18,25H,10-15H2,1-5H3.

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

8-[6-[1-[2-(4,4-dimethylpiperidin-1-yl)ethoxy]-2,2,2-trifluoroethyl]-3-pyridinyl]-3-methyl-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one has a molecular weight of 556.63 g/mol, XLogP of 5.67, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[6-[1-[2-(4,4-dimethylpiperidin-1-yl)ethoxy]-2,2,2-trifluoroethyl]-3-pyridinyl]-3-methyl-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one is sourced from PubChem (CID 170648318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).