2-[1-[5-(3-methyl-2-oxo-1-propan-2-ylimidazo[4,5-c]cinnolin-8-yl)-2-pyridinyl]ethoxy]acetic acid

C22H23N5O4 — CID 175512334

About 2-[1-[5-(3-methyl-2-oxo-1-propan-2-ylimidazo[4,5-c]cinnolin-8-yl)-2-pyridinyl]ethoxy]acetic acid

2-[1-[5-(3-methyl-2-oxo-1-propan-2-ylimidazo[4,5-c]cinnolin-8-yl)-2-pyridinyl]ethoxy]acetic acid (PubChem CID 175512334) has the molecular formula C22H23N5O4 and a molecular weight of 421.46 g/mol. Its IUPAC name is 2-[1-[5-(3-methyl-2-oxo-1-propan-2-ylimidazo[4,5-c]cinnolin-8-yl)-2-pyridinyl]ethoxy]acetic acid.

Molecular Properties

• Compound Name: 2-[1-[5-(3-methyl-2-oxo-1-propan-2-ylimidazo[4,5-c]cinnolin-8-yl)-2-pyridinyl]ethoxy]acetic acid
• PubChem CID: 175512334
• Molecular Formula: C22H23N5O4
• Molecular Weight: 421.46 g/mol
• Exact Mass: 421.18
• IUPAC Name: 2-[1-[5-(3-methyl-2-oxo-1-propan-2-ylimidazo[4,5-c]cinnolin-8-yl)-2-pyridinyl]ethoxy]acetic acid
• SMILES: CC(OCC(=O)O)c1ccc(-c2ccc3nnc4c(c3c2)n(C(C)C)c(=O)n4C)cn1
• InChI: InChI=1S/C22H23N5O4/c1-12(2)27-20-16-9-14(5-8-18(16)24-25-21(20)26(4)22(27)30)15-6-7-17(23-10-15)13(3)31-11-19(28)29/h5-10,12-13H,11H2,1-4H3,(H,28,29)
• InChIKey: OQYXVDHAOAUZFW-UHFFFAOYSA-N
• XLogP: 3.09
• TPSA: 112.13 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	421.46
LogP ≤ 5	3.09
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-[1-[5-(3-methyl-2-oxo-1-propan-2-ylimidazo[4,5-c]cinnolin-8-yl)-2-pyridinyl]ethoxy]acetic acid?

The IUPAC name of 2-[1-[5-(3-methyl-2-oxo-1-propan-2-ylimidazo[4,5-c]cinnolin-8-yl)-2-pyridinyl]ethoxy]acetic acid (CID 175512334) is 2-[1-[5-(3-methyl-2-oxo-1-propan-2-ylimidazo[4,5-c]cinnolin-8-yl)-2-pyridinyl]ethoxy]acetic acid.

What is the SMILES notation for 2-[1-[5-(3-methyl-2-oxo-1-propan-2-ylimidazo[4,5-c]cinnolin-8-yl)-2-pyridinyl]ethoxy]acetic acid?

The canonical SMILES for 2-[1-[5-(3-methyl-2-oxo-1-propan-2-ylimidazo[4,5-c]cinnolin-8-yl)-2-pyridinyl]ethoxy]acetic acid is CC(OCC(=O)O)c1ccc(-c2ccc3nnc4c(c3c2)n(C(C)C)c(=O)n4C)cn1.

What is the InChIKey of 2-[1-[5-(3-methyl-2-oxo-1-propan-2-ylimidazo[4,5-c]cinnolin-8-yl)-2-pyridinyl]ethoxy]acetic acid?

The InChIKey is OQYXVDHAOAUZFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O4/c1-12(2)27-20-16-9-14(5-8-18(16)24-25-21(20)26(4)22(27)30)15-6-7-17(23-10-15)13(3)31-11-19(28)29/h5-10,12-13H,11H2,1-4H3,(H,28,29).

What are the key properties of 2-[1-[5-(3-methyl-2-oxo-1-propan-2-ylimidazo[4,5-c]cinnolin-8-yl)-2-pyridinyl]ethoxy]acetic acid?

2-[1-[5-(3-methyl-2-oxo-1-propan-2-ylimidazo[4,5-c]cinnolin-8-yl)-2-pyridinyl]ethoxy]acetic acid has a molecular weight of 421.46 g/mol, XLogP of 3.09, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1-[5-(3-methyl-2-oxo-1-propan-2-ylimidazo[4,5-c]cinnolin-8-yl)-2-pyridinyl]ethoxy]acetic acid is sourced from PubChem (CID 175512334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).