8-[6-[2-(3,3-dimethylpyrrolidin-1-yl)ethoxymethyl]-3-pyridinyl]-7-fluoro-3-methyl-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one

C27H33FN6O2 — CID 170648158

About 8-[6-[2-(3,3-dimethylpyrrolidin-1-yl)ethoxymethyl]-3-pyridinyl]-7-fluoro-3-methyl-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one

8-[6-[2-(3,3-dimethylpyrrolidin-1-yl)ethoxymethyl]-3-pyridinyl]-7-fluoro-3-methyl-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one (PubChem CID 170648158) has the molecular formula C27H33FN6O2 and a molecular weight of 492.60 g/mol. Its IUPAC name is 8-[6-[2-(3,3-dimethylpyrrolidin-1-yl)ethoxymethyl]-3-pyridinyl]-7-fluoro-3-methyl-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one.

Molecular Properties

• Compound Name: 8-[6-[2-(3,3-dimethylpyrrolidin-1-yl)ethoxymethyl]-3-pyridinyl]-7-fluoro-3-methyl-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one
• PubChem CID: 170648158
• Molecular Formula: C27H33FN6O2
• Molecular Weight: 492.60 g/mol
• Exact Mass: 492.26
• IUPAC Name: 8-[6-[2-(3,3-dimethylpyrrolidin-1-yl)ethoxymethyl]-3-pyridinyl]-7-fluoro-3-methyl-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one
• SMILES: CC(C)n1c(=O)n(C)c2nnc3cc(F)c(-c4ccc(COCCN5CCC(C)(C)C5)nc4)cc3c21
• InChI: InChI=1S/C27H33FN6O2/c1-17(2)34-24-21-12-20(22(28)13-23(21)30-31-25(24)32(5)26(34)35)18-6-7-19(29-14-18)15-36-11-10-33-9-8-27(3,4)16-33/h6-7,12-14,17H,8-11,15-16H2,1-5H3
• InChIKey: XPYCDDQTZILTMS-UHFFFAOYSA-N
• XLogP: 4.31
• 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	4.31
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-(3,3-dimethylpyrrolidin-1-yl)ethoxymethyl]-3-pyridinyl]-7-fluoro-3-methyl-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one?

The IUPAC name of 8-[6-[2-(3,3-dimethylpyrrolidin-1-yl)ethoxymethyl]-3-pyridinyl]-7-fluoro-3-methyl-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one (CID 170648158) is 8-[6-[2-(3,3-dimethylpyrrolidin-1-yl)ethoxymethyl]-3-pyridinyl]-7-fluoro-3-methyl-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one.

What is the SMILES notation for 8-[6-[2-(3,3-dimethylpyrrolidin-1-yl)ethoxymethyl]-3-pyridinyl]-7-fluoro-3-methyl-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one?

The canonical SMILES for 8-[6-[2-(3,3-dimethylpyrrolidin-1-yl)ethoxymethyl]-3-pyridinyl]-7-fluoro-3-methyl-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one is CC(C)n1c(=O)n(C)c2nnc3cc(F)c(-c4ccc(COCCN5CCC(C)(C)C5)nc4)cc3c21.

What is the InChIKey of 8-[6-[2-(3,3-dimethylpyrrolidin-1-yl)ethoxymethyl]-3-pyridinyl]-7-fluoro-3-methyl-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one?

The InChIKey is XPYCDDQTZILTMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33FN6O2/c1-17(2)34-24-21-12-20(22(28)13-23(21)30-31-25(24)32(5)26(34)35)18-6-7-19(29-14-18)15-36-11-10-33-9-8-27(3,4)16-33/h6-7,12-14,17H,8-11,15-16H2,1-5H3.

What are the key properties of 8-[6-[2-(3,3-dimethylpyrrolidin-1-yl)ethoxymethyl]-3-pyridinyl]-7-fluoro-3-methyl-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one?

8-[6-[2-(3,3-dimethylpyrrolidin-1-yl)ethoxymethyl]-3-pyridinyl]-7-fluoro-3-methyl-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one has a molecular weight of 492.60 g/mol, XLogP of 4.31, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[6-[2-(3,3-dimethylpyrrolidin-1-yl)ethoxymethyl]-3-pyridinyl]-7-fluoro-3-methyl-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one is sourced from PubChem (CID 170648158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).