(E)-3-[7-methyl-2-(4-propoxyphenyl)imidazo[1,2-a]pyridin-3-yl]prop-2-enoic acid

C20H20N2O3 — CID 39195944

IUPAC(E)-3-[7-methyl-2-(4-propoxyphenyl)imidazo[1,2-a]pyridin-3-yl]prop-2-enoic acid
SMILESCCCOc1ccc(-c2nc3cc(C)ccn3c2/C=C/C(=O)O)cc1
InChIInChI=1S/C20H20N2O3/c1-3-12-25-16-6-4-15(5-7-16)20-17(8-9-19(23)24)22-11-10-14(2)13-18(22)21-20/h4-11,13H,3,12H2,1-2H3,(H,23,24)/b9-8+
InChIKeyGYLJJNNYIULJCF-CMDGGOBGSA-N
MW336.39 g/mol
LogP4.20
Rot. Bonds6

About (E)-3-[7-methyl-2-(4-propoxyphenyl)imidazo[1,2-a]pyridin-3-yl]prop-2-enoic acid

(E)-3-[7-methyl-2-(4-propoxyphenyl)imidazo[1,2-a]pyridin-3-yl]prop-2-enoic acid (PubChem CID 39195944) has the molecular formula C20H20N2O3 and a molecular weight of 336.39 g/mol. Its IUPAC name is (E)-3-[7-methyl-2-(4-propoxyphenyl)imidazo[1,2-a]pyridin-3-yl]prop-2-enoic acid.

Molecular Properties

Compound Name(E)-3-[7-methyl-2-(4-propoxyphenyl)imidazo[1,2-a]pyridin-3-yl]prop-2-enoic acid
PubChem CID39195944
Molecular FormulaC20H20N2O3
Molecular Weight336.39 g/mol
Exact Mass336.15
IUPAC Name(E)-3-[7-methyl-2-(4-propoxyphenyl)imidazo[1,2-a]pyridin-3-yl]prop-2-enoic acid
SMILESCCCOc1ccc(-c2nc3cc(C)ccn3c2/C=C/C(=O)O)cc1
InChIInChI=1S/C20H20N2O3/c1-3-12-25-16-6-4-15(5-7-16)20-17(8-9-19(23)24)22-11-10-14(2)13-18(22)21-20/h4-11,13H,3,12H2,1-2H3,(H,23,24)/b9-8+
InChIKeyGYLJJNNYIULJCF-CMDGGOBGSA-N
XLogP4.20
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 54.20
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-[7-methyl-2-(4-propoxyphenyl)imidazo[1,2-a]pyridin-3-yl]prop-2-enoic acid?
The IUPAC name of (E)-3-[7-methyl-2-(4-propoxyphenyl)imidazo[1,2-a]pyridin-3-yl]prop-2-enoic acid (CID 39195944) is (E)-3-[7-methyl-2-(4-propoxyphenyl)imidazo[1,2-a]pyridin-3-yl]prop-2-enoic acid.
What is the SMILES notation for (E)-3-[7-methyl-2-(4-propoxyphenyl)imidazo[1,2-a]pyridin-3-yl]prop-2-enoic acid?
The canonical SMILES for (E)-3-[7-methyl-2-(4-propoxyphenyl)imidazo[1,2-a]pyridin-3-yl]prop-2-enoic acid is CCCOc1ccc(-c2nc3cc(C)ccn3c2/C=C/C(=O)O)cc1.
What is the InChIKey of (E)-3-[7-methyl-2-(4-propoxyphenyl)imidazo[1,2-a]pyridin-3-yl]prop-2-enoic acid?
The InChIKey is GYLJJNNYIULJCF-CMDGGOBGSA-N. The full InChI is InChI=1S/C20H20N2O3/c1-3-12-25-16-6-4-15(5-7-16)20-17(8-9-19(23)24)22-11-10-14(2)13-18(22)21-20/h4-11,13H,3,12H2,1-2H3,(H,23,24)/b9-8+.
What are the key properties of (E)-3-[7-methyl-2-(4-propoxyphenyl)imidazo[1,2-a]pyridin-3-yl]prop-2-enoic acid?
(E)-3-[7-methyl-2-(4-propoxyphenyl)imidazo[1,2-a]pyridin-3-yl]prop-2-enoic acid has a molecular weight of 336.39 g/mol, XLogP of 4.20, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[7-methyl-2-(4-propoxyphenyl)imidazo[1,2-a]pyridin-3-yl]prop-2-enoic acid is sourced from PubChem (CID 39195944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).