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

IUPAC2-[1-[5-(3-methyl-2-oxo-1-propan-2-ylimidazo[4,5-c]cinnolin-8-yl)-2-pyridinyl]ethoxy]acetic acid
SMILESCC(OCC(=O)O)c1ccc(-c2ccc3nnc4c(c3c2)n(C(C)C)c(=O)n4C)cn1
InChIInChI=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)
InChIKeyOQYXVDHAOAUZFW-UHFFFAOYSA-N
MW421.46 g/mol
LogP3.09
Rot. Bonds6

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 Name2-[1-[5-(3-methyl-2-oxo-1-propan-2-ylimidazo[4,5-c]cinnolin-8-yl)-2-pyridinyl]ethoxy]acetic acid
PubChem CID175512334
Molecular FormulaC22H23N5O4
Molecular Weight421.46 g/mol
Exact Mass421.18
IUPAC Name2-[1-[5-(3-methyl-2-oxo-1-propan-2-ylimidazo[4,5-c]cinnolin-8-yl)-2-pyridinyl]ethoxy]acetic acid
SMILESCC(OCC(=O)O)c1ccc(-c2ccc3nnc4c(c3c2)n(C(C)C)c(=O)n4C)cn1
InChIInChI=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)
InChIKeyOQYXVDHAOAUZFW-UHFFFAOYSA-N
XLogP3.09
TPSA112.13 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.46
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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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).