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

C27H33FN6O2 — CID 170648247

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

8-[6-[(1R)-1-[2-(4-fluoropiperidin-1-yl)ethoxy]ethyl]-3-pyridinyl]-3-methyl-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one (PubChem CID 170648247) has the molecular formula C27H33FN6O2 and a molecular weight of 492.60 g/mol. Its IUPAC name is 8-[6-[(1R)-1-[2-(4-fluoropiperidin-1-yl)ethoxy]ethyl]-3-pyridinyl]-3-methyl-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one.

Molecular Properties

• Compound Name: 8-[6-[(1R)-1-[2-(4-fluoropiperidin-1-yl)ethoxy]ethyl]-3-pyridinyl]-3-methyl-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one
• PubChem CID: 170648247
• Molecular Formula: C27H33FN6O2
• Molecular Weight: 492.60 g/mol
• Exact Mass: 492.26
• IUPAC Name: 8-[6-[(1R)-1-[2-(4-fluoropiperidin-1-yl)ethoxy]ethyl]-3-pyridinyl]-3-methyl-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one
• SMILES: CC(C)n1c(=O)n(C)c2nnc3ccc(-c4ccc([C@@H](C)OCCN5CCC(F)CC5)nc4)cc3c21
• InChI: InChI=1S/C27H33FN6O2/c1-17(2)34-25-22-15-19(5-8-24(22)30-31-26(25)32(4)27(34)35)20-6-7-23(29-16-20)18(3)36-14-13-33-11-9-21(28)10-12-33/h5-8,15-18,21H,9-14H2,1-4H3/t18-/m1/s1
• InChIKey: NVRIWJKBTHHCFH-GOSISDBHSA-N
• XLogP: 4.44
• 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	492.60
LogP ≤ 5	4.44
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 8-[6-[(1R)-1-[2-(4-fluoropiperidin-1-yl)ethoxy]ethyl]-3-pyridinyl]-3-methyl-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one (CID 170648247) is 8-[6-[(1R)-1-[2-(4-fluoropiperidin-1-yl)ethoxy]ethyl]-3-pyridinyl]-3-methyl-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one.

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

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

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

The InChIKey is NVRIWJKBTHHCFH-GOSISDBHSA-N. The full InChI is InChI=1S/C27H33FN6O2/c1-17(2)34-25-22-15-19(5-8-24(22)30-31-26(25)32(4)27(34)35)20-6-7-23(29-16-20)18(3)36-14-13-33-11-9-21(28)10-12-33/h5-8,15-18,21H,9-14H2,1-4H3/t18-/m1/s1.

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

8-[6-[(1R)-1-[2-(4-fluoropiperidin-1-yl)ethoxy]ethyl]-3-pyridinyl]-3-methyl-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one has a molecular weight of 492.60 g/mol, XLogP of 4.44, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[6-[(1R)-1-[2-(4-fluoropiperidin-1-yl)ethoxy]ethyl]-3-pyridinyl]-3-methyl-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one is sourced from PubChem (CID 170648247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).