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

C27H34N6O2 — CID 170648216

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

3-methyl-8-[6-[(1R)-1-(2-piperidin-1-ylethoxy)ethyl]-3-pyridinyl]-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one (PubChem CID 170648216) has the molecular formula C27H34N6O2 and a molecular weight of 474.61 g/mol. Its IUPAC name is 3-methyl-8-[6-[(1R)-1-(2-piperidin-1-ylethoxy)ethyl]-3-pyridinyl]-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one.

Molecular Properties

• Compound Name: 3-methyl-8-[6-[(1R)-1-(2-piperidin-1-ylethoxy)ethyl]-3-pyridinyl]-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one
• PubChem CID: 170648216
• Molecular Formula: C27H34N6O2
• Molecular Weight: 474.61 g/mol
• Exact Mass: 474.27
• IUPAC Name: 3-methyl-8-[6-[(1R)-1-(2-piperidin-1-ylethoxy)ethyl]-3-pyridinyl]-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one
• SMILES: CC(C)n1c(=O)n(C)c2nnc3ccc(-c4ccc([C@@H](C)OCCN5CCCCC5)nc4)cc3c21
• InChI: InChI=1S/C27H34N6O2/c1-18(2)33-25-22-16-20(8-11-24(22)29-30-26(25)31(4)27(33)34)21-9-10-23(28-17-21)19(3)35-15-14-32-12-6-5-7-13-32/h8-11,16-19H,5-7,12-15H2,1-4H3/t19-/m1/s1
• InChIKey: GZFCFBOXXNGBQD-LJQANCHMSA-N
• XLogP: 4.49
• 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	474.61
LogP ≤ 5	4.49
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 3-methyl-8-[6-[(1R)-1-(2-piperidin-1-ylethoxy)ethyl]-3-pyridinyl]-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one (CID 170648216) is 3-methyl-8-[6-[(1R)-1-(2-piperidin-1-ylethoxy)ethyl]-3-pyridinyl]-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one.

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

The canonical SMILES for 3-methyl-8-[6-[(1R)-1-(2-piperidin-1-ylethoxy)ethyl]-3-pyridinyl]-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one is CC(C)n1c(=O)n(C)c2nnc3ccc(-c4ccc([C@@H](C)OCCN5CCCCC5)nc4)cc3c21.

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

The InChIKey is GZFCFBOXXNGBQD-LJQANCHMSA-N. The full InChI is InChI=1S/C27H34N6O2/c1-18(2)33-25-22-16-20(8-11-24(22)29-30-26(25)31(4)27(33)34)21-9-10-23(28-17-21)19(3)35-15-14-32-12-6-5-7-13-32/h8-11,16-19H,5-7,12-15H2,1-4H3/t19-/m1/s1.

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

3-methyl-8-[6-[(1R)-1-(2-piperidin-1-ylethoxy)ethyl]-3-pyridinyl]-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one has a molecular weight of 474.61 g/mol, XLogP of 4.49, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-methyl-8-[6-[(1R)-1-(2-piperidin-1-ylethoxy)ethyl]-3-pyridinyl]-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one is sourced from PubChem (CID 170648216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).