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

C26H31FN6O2 — CID 170648288

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

8-[6-[2-(3-fluoropiperidin-1-yl)ethoxymethyl]-3-pyridinyl]-3-methyl-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one (PubChem CID 170648288) has the molecular formula C26H31FN6O2 and a molecular weight of 478.57 g/mol. Its IUPAC name is 8-[6-[2-(3-fluoropiperidin-1-yl)ethoxymethyl]-3-pyridinyl]-3-methyl-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one.

Molecular Properties

• Compound Name: 8-[6-[2-(3-fluoropiperidin-1-yl)ethoxymethyl]-3-pyridinyl]-3-methyl-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one
• PubChem CID: 170648288
• Molecular Formula: C26H31FN6O2
• Molecular Weight: 478.57 g/mol
• Exact Mass: 478.25
• IUPAC Name: 8-[6-[2-(3-fluoropiperidin-1-yl)ethoxymethyl]-3-pyridinyl]-3-methyl-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one
• SMILES: CC(C)n1c(=O)n(C)c2nnc3ccc(-c4ccc(COCCN5CCCC(F)C5)nc4)cc3c21
• InChI: InChI=1S/C26H31FN6O2/c1-17(2)33-24-22-13-18(7-9-23(22)29-30-25(24)31(3)26(33)34)19-6-8-21(28-14-19)16-35-12-11-32-10-4-5-20(27)15-32/h6-9,13-14,17,20H,4-5,10-12,15-16H2,1-3H3
• InChIKey: BEKUVJKXTHQLGW-UHFFFAOYSA-N
• XLogP: 3.88
• TPSA: 78.07 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	478.57
LogP ≤ 5	3.88
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of 8-[6-[2-(3-fluoropiperidin-1-yl)ethoxymethyl]-3-pyridinyl]-3-methyl-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one (CID 170648288) is 8-[6-[2-(3-fluoropiperidin-1-yl)ethoxymethyl]-3-pyridinyl]-3-methyl-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one.

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

The canonical SMILES for 8-[6-[2-(3-fluoropiperidin-1-yl)ethoxymethyl]-3-pyridinyl]-3-methyl-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one is CC(C)n1c(=O)n(C)c2nnc3ccc(-c4ccc(COCCN5CCCC(F)C5)nc4)cc3c21.

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

The InChIKey is BEKUVJKXTHQLGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31FN6O2/c1-17(2)33-24-22-13-18(7-9-23(22)29-30-25(24)31(3)26(33)34)19-6-8-21(28-14-19)16-35-12-11-32-10-4-5-20(27)15-32/h6-9,13-14,17,20H,4-5,10-12,15-16H2,1-3H3.

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

8-[6-[2-(3-fluoropiperidin-1-yl)ethoxymethyl]-3-pyridinyl]-3-methyl-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one has a molecular weight of 478.57 g/mol, XLogP of 3.88, 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-fluoropiperidin-1-yl)ethoxymethyl]-3-pyridinyl]-3-methyl-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one is sourced from PubChem (CID 170648288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).