2-[(E)-2-[3-(difluoromethoxy)-2-prop-1-en-2-yloxyphenyl]ethenyl]imidazo[1,2-a]pyridine-3-carboxylic acid

C20H16F2N2O4 — CID 59369932

IUPAC2-[(E)-2-[3-(difluoromethoxy)-2-prop-1-en-2-yloxyphenyl]ethenyl]imidazo[1,2-a]pyridine-3-carboxylic acid
SMILESC=C(C)Oc1c(/C=C/c2nc3ccccn3c2C(=O)O)cccc1OC(F)F
InChIInChI=1S/C20H16F2N2O4/c1-12(2)27-18-13(6-5-7-15(18)28-20(21)22)9-10-14-17(19(25)26)24-11-4-3-8-16(24)23-14/h3-11,20H,1H2,2H3,(H,25,26)/b10-9+
InChIKeyJAIQQHZXLBYHPA-MDZDMXLPSA-N
MW386.35 g/mol
LogP4.72
Rot. Bonds7

About 2-[(E)-2-[3-(difluoromethoxy)-2-prop-1-en-2-yloxyphenyl]ethenyl]imidazo[1,2-a]pyridine-3-carboxylic acid

2-[(E)-2-[3-(difluoromethoxy)-2-prop-1-en-2-yloxyphenyl]ethenyl]imidazo[1,2-a]pyridine-3-carboxylic acid (PubChem CID 59369932) has the molecular formula C20H16F2N2O4 and a molecular weight of 386.35 g/mol. Its IUPAC name is 2-[(E)-2-[3-(difluoromethoxy)-2-prop-1-en-2-yloxyphenyl]ethenyl]imidazo[1,2-a]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[(E)-2-[3-(difluoromethoxy)-2-prop-1-en-2-yloxyphenyl]ethenyl]imidazo[1,2-a]pyridine-3-carboxylic acid
PubChem CID59369932
Molecular FormulaC20H16F2N2O4
Molecular Weight386.35 g/mol
Exact Mass386.11
IUPAC Name2-[(E)-2-[3-(difluoromethoxy)-2-prop-1-en-2-yloxyphenyl]ethenyl]imidazo[1,2-a]pyridine-3-carboxylic acid
SMILESC=C(C)Oc1c(/C=C/c2nc3ccccn3c2C(=O)O)cccc1OC(F)F
InChIInChI=1S/C20H16F2N2O4/c1-12(2)27-18-13(6-5-7-15(18)28-20(21)22)9-10-14-17(19(25)26)24-11-4-3-8-16(24)23-14/h3-11,20H,1H2,2H3,(H,25,26)/b10-9+
InChIKeyJAIQQHZXLBYHPA-MDZDMXLPSA-N
XLogP4.72
TPSA73.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.35
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-[3-(difluoromethoxy)-2-prop-1-en-2-yloxyphenyl]ethenyl]imidazo[1,2-a]pyridine-3-carboxylic acid?
The IUPAC name of 2-[(E)-2-[3-(difluoromethoxy)-2-prop-1-en-2-yloxyphenyl]ethenyl]imidazo[1,2-a]pyridine-3-carboxylic acid (CID 59369932) is 2-[(E)-2-[3-(difluoromethoxy)-2-prop-1-en-2-yloxyphenyl]ethenyl]imidazo[1,2-a]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-[(E)-2-[3-(difluoromethoxy)-2-prop-1-en-2-yloxyphenyl]ethenyl]imidazo[1,2-a]pyridine-3-carboxylic acid?
The canonical SMILES for 2-[(E)-2-[3-(difluoromethoxy)-2-prop-1-en-2-yloxyphenyl]ethenyl]imidazo[1,2-a]pyridine-3-carboxylic acid is C=C(C)Oc1c(/C=C/c2nc3ccccn3c2C(=O)O)cccc1OC(F)F.
What is the InChIKey of 2-[(E)-2-[3-(difluoromethoxy)-2-prop-1-en-2-yloxyphenyl]ethenyl]imidazo[1,2-a]pyridine-3-carboxylic acid?
The InChIKey is JAIQQHZXLBYHPA-MDZDMXLPSA-N. The full InChI is InChI=1S/C20H16F2N2O4/c1-12(2)27-18-13(6-5-7-15(18)28-20(21)22)9-10-14-17(19(25)26)24-11-4-3-8-16(24)23-14/h3-11,20H,1H2,2H3,(H,25,26)/b10-9+.
What are the key properties of 2-[(E)-2-[3-(difluoromethoxy)-2-prop-1-en-2-yloxyphenyl]ethenyl]imidazo[1,2-a]pyridine-3-carboxylic acid?
2-[(E)-2-[3-(difluoromethoxy)-2-prop-1-en-2-yloxyphenyl]ethenyl]imidazo[1,2-a]pyridine-3-carboxylic acid has a molecular weight of 386.35 g/mol, XLogP of 4.72, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-[3-(difluoromethoxy)-2-prop-1-en-2-yloxyphenyl]ethenyl]imidazo[1,2-a]pyridine-3-carboxylic acid is sourced from PubChem (CID 59369932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).