(E)-3-[2-(4-propoxyphenyl)imidazo[1,2-a]pyridin-3-yl]prop-2-enoic acid

C19H18N2O3 — CID 39195836

IUPAC(E)-3-[2-(4-propoxyphenyl)imidazo[1,2-a]pyridin-3-yl]prop-2-enoic acid
SMILESCCCOc1ccc(-c2nc3ccccn3c2/C=C/C(=O)O)cc1
InChIInChI=1S/C19H18N2O3/c1-2-13-24-15-8-6-14(7-9-15)19-16(10-11-18(22)23)21-12-4-3-5-17(21)20-19/h3-12H,2,13H2,1H3,(H,22,23)/b11-10+
InChIKeyLUTKFXUABHPPSI-ZHACJKMWSA-N
MW322.36 g/mol
LogP3.89
Rot. Bonds6

About (E)-3-[2-(4-propoxyphenyl)imidazo[1,2-a]pyridin-3-yl]prop-2-enoic acid

(E)-3-[2-(4-propoxyphenyl)imidazo[1,2-a]pyridin-3-yl]prop-2-enoic acid (PubChem CID 39195836) has the molecular formula C19H18N2O3 and a molecular weight of 322.36 g/mol. Its IUPAC name is (E)-3-[2-(4-propoxyphenyl)imidazo[1,2-a]pyridin-3-yl]prop-2-enoic acid.

Molecular Properties

Compound Name(E)-3-[2-(4-propoxyphenyl)imidazo[1,2-a]pyridin-3-yl]prop-2-enoic acid
PubChem CID39195836
Molecular FormulaC19H18N2O3
Molecular Weight322.36 g/mol
Exact Mass322.13
IUPAC Name(E)-3-[2-(4-propoxyphenyl)imidazo[1,2-a]pyridin-3-yl]prop-2-enoic acid
SMILESCCCOc1ccc(-c2nc3ccccn3c2/C=C/C(=O)O)cc1
InChIInChI=1S/C19H18N2O3/c1-2-13-24-15-8-6-14(7-9-15)19-16(10-11-18(22)23)21-12-4-3-5-17(21)20-19/h3-12H,2,13H2,1H3,(H,22,23)/b11-10+
InChIKeyLUTKFXUABHPPSI-ZHACJKMWSA-N
XLogP3.89
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-3-[2-(4-propoxyphenyl)imidazo[1,2-a]pyridin-3-yl]prop-2-enoic acid?
The IUPAC name of (E)-3-[2-(4-propoxyphenyl)imidazo[1,2-a]pyridin-3-yl]prop-2-enoic acid (CID 39195836) is (E)-3-[2-(4-propoxyphenyl)imidazo[1,2-a]pyridin-3-yl]prop-2-enoic acid.
What is the SMILES notation for (E)-3-[2-(4-propoxyphenyl)imidazo[1,2-a]pyridin-3-yl]prop-2-enoic acid?
The canonical SMILES for (E)-3-[2-(4-propoxyphenyl)imidazo[1,2-a]pyridin-3-yl]prop-2-enoic acid is CCCOc1ccc(-c2nc3ccccn3c2/C=C/C(=O)O)cc1.
What is the InChIKey of (E)-3-[2-(4-propoxyphenyl)imidazo[1,2-a]pyridin-3-yl]prop-2-enoic acid?
The InChIKey is LUTKFXUABHPPSI-ZHACJKMWSA-N. The full InChI is InChI=1S/C19H18N2O3/c1-2-13-24-15-8-6-14(7-9-15)19-16(10-11-18(22)23)21-12-4-3-5-17(21)20-19/h3-12H,2,13H2,1H3,(H,22,23)/b11-10+.
What are the key properties of (E)-3-[2-(4-propoxyphenyl)imidazo[1,2-a]pyridin-3-yl]prop-2-enoic acid?
(E)-3-[2-(4-propoxyphenyl)imidazo[1,2-a]pyridin-3-yl]prop-2-enoic acid has a molecular weight of 322.36 g/mol, XLogP of 3.89, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[2-(4-propoxyphenyl)imidazo[1,2-a]pyridin-3-yl]prop-2-enoic acid is sourced from PubChem (CID 39195836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).