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

C25H30N6O2 — CID 170648203

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

3-methyl-8-[6-[(1-methylpiperidin-3-yl)oxymethyl]-3-pyridinyl]-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one (PubChem CID 170648203) has the molecular formula C25H30N6O2 and a molecular weight of 446.56 g/mol. Its IUPAC name is 3-methyl-8-[6-[(1-methylpiperidin-3-yl)oxymethyl]-3-pyridinyl]-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one.

Molecular Properties

• Compound Name: 3-methyl-8-[6-[(1-methylpiperidin-3-yl)oxymethyl]-3-pyridinyl]-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one
• PubChem CID: 170648203
• Molecular Formula: C25H30N6O2
• Molecular Weight: 446.56 g/mol
• Exact Mass: 446.24
• IUPAC Name: 3-methyl-8-[6-[(1-methylpiperidin-3-yl)oxymethyl]-3-pyridinyl]-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one
• SMILES: CC(C)n1c(=O)n(C)c2nnc3ccc(-c4ccc(COC5CCCN(C)C5)nc4)cc3c21
• InChI: InChI=1S/C25H30N6O2/c1-16(2)31-23-21-12-17(8-10-22(21)27-28-24(23)30(4)25(31)32)18-7-9-19(26-13-18)15-33-20-6-5-11-29(3)14-20/h7-10,12-13,16,20H,5-6,11,14-15H2,1-4H3
• InChIKey: LXDVVXBSUPTMOZ-UHFFFAOYSA-N
• XLogP: 3.54
• TPSA: 78.07 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	446.56
LogP ≤ 5	3.54
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 3-methyl-8-[6-[(1-methylpiperidin-3-yl)oxymethyl]-3-pyridinyl]-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one (CID 170648203) is 3-methyl-8-[6-[(1-methylpiperidin-3-yl)oxymethyl]-3-pyridinyl]-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one.

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

The canonical SMILES for 3-methyl-8-[6-[(1-methylpiperidin-3-yl)oxymethyl]-3-pyridinyl]-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one is CC(C)n1c(=O)n(C)c2nnc3ccc(-c4ccc(COC5CCCN(C)C5)nc4)cc3c21.

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

The InChIKey is LXDVVXBSUPTMOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N6O2/c1-16(2)31-23-21-12-17(8-10-22(21)27-28-24(23)30(4)25(31)32)18-7-9-19(26-13-18)15-33-20-6-5-11-29(3)14-20/h7-10,12-13,16,20H,5-6,11,14-15H2,1-4H3.

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

3-methyl-8-[6-[(1-methylpiperidin-3-yl)oxymethyl]-3-pyridinyl]-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one has a molecular weight of 446.56 g/mol, XLogP of 3.54, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-methyl-8-[6-[(1-methylpiperidin-3-yl)oxymethyl]-3-pyridinyl]-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one is sourced from PubChem (CID 170648203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).