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

C19H18N2O2 — CID 39195818

IUPAC(E)-3-[2-(4-propan-2-ylphenyl)imidazo[1,2-a]pyridin-3-yl]prop-2-enoic acid
SMILESCC(C)c1ccc(-c2nc3ccccn3c2/C=C/C(=O)O)cc1
InChIInChI=1S/C19H18N2O2/c1-13(2)14-6-8-15(9-7-14)19-16(10-11-18(22)23)21-12-4-3-5-17(21)20-19/h3-13H,1-2H3,(H,22,23)/b11-10+
InChIKeyHDVJOCXQEUPOKO-ZHACJKMWSA-N
MW306.37 g/mol
LogP4.22
Rot. Bonds4

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

(E)-3-[2-(4-propan-2-ylphenyl)imidazo[1,2-a]pyridin-3-yl]prop-2-enoic acid (PubChem CID 39195818) has the molecular formula C19H18N2O2 and a molecular weight of 306.37 g/mol. Its IUPAC name is (E)-3-[2-(4-propan-2-ylphenyl)imidazo[1,2-a]pyridin-3-yl]prop-2-enoic acid.

Molecular Properties

Compound Name(E)-3-[2-(4-propan-2-ylphenyl)imidazo[1,2-a]pyridin-3-yl]prop-2-enoic acid
PubChem CID39195818
Molecular FormulaC19H18N2O2
Molecular Weight306.37 g/mol
Exact Mass306.14
IUPAC Name(E)-3-[2-(4-propan-2-ylphenyl)imidazo[1,2-a]pyridin-3-yl]prop-2-enoic acid
SMILESCC(C)c1ccc(-c2nc3ccccn3c2/C=C/C(=O)O)cc1
InChIInChI=1S/C19H18N2O2/c1-13(2)14-6-8-15(9-7-14)19-16(10-11-18(22)23)21-12-4-3-5-17(21)20-19/h3-13H,1-2H3,(H,22,23)/b11-10+
InChIKeyHDVJOCXQEUPOKO-ZHACJKMWSA-N
XLogP4.22
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-[2-(4-chloro-3-methylphenyl)imidazo[1,2-a]pyridin-3-yl]prop-2-enoic acid
CID 39195829
(E)-3-[2-(4-propoxyphenyl)imidazo[1,2-a]pyridin-3-yl]prop-2-enoic acid
CID 39195836
(Z)-3-[2-(3-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]prop-2-enoic acid
CID 92908083
3-(4-propan-2-ylphenyl)imidazo[1,2-a]pyridine-2-carboxylic acid
CID 142784458
(E)-3-[2-[butan-2-yl(ethyl)amino]imidazo[1,2-a]pyridin-3-yl]prop-2-enoic acid
CID 43477951
(E)-3-[7-methyl-2-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridin-3-yl]prop-2-enoic acid
CID 39195945
(E)-3-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-1-(3-fluorophenyl)prop-2-en-1-one
CID 56965295
(E)-3-[5-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]prop-2-enoic acid
CID 39195853
3-[2-(3-methylpyrazol-1-yl)imidazo[1,2-a]pyridin-3-yl]prop-2-enoic acid
CID 76944842
(E)-3-[2-[cyclopentyl(methyl)amino]imidazo[1,2-a]pyridin-3-yl]prop-2-enoic acid
CID 43477940
(E)-3-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-1-(5,6-dimethoxy-1,3-dihydroisoindol-2-yl)prop-2-en-1-one
CID 146371485
3-[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]prop-2-enoic acid
CID 2760659

Frequently Asked Questions

What is the IUPAC name of (E)-3-[2-(4-propan-2-ylphenyl)imidazo[1,2-a]pyridin-3-yl]prop-2-enoic acid?
The IUPAC name of (E)-3-[2-(4-propan-2-ylphenyl)imidazo[1,2-a]pyridin-3-yl]prop-2-enoic acid (CID 39195818) is (E)-3-[2-(4-propan-2-ylphenyl)imidazo[1,2-a]pyridin-3-yl]prop-2-enoic acid.
What is the SMILES notation for (E)-3-[2-(4-propan-2-ylphenyl)imidazo[1,2-a]pyridin-3-yl]prop-2-enoic acid?
The canonical SMILES for (E)-3-[2-(4-propan-2-ylphenyl)imidazo[1,2-a]pyridin-3-yl]prop-2-enoic acid is CC(C)c1ccc(-c2nc3ccccn3c2/C=C/C(=O)O)cc1.
What is the InChIKey of (E)-3-[2-(4-propan-2-ylphenyl)imidazo[1,2-a]pyridin-3-yl]prop-2-enoic acid?
The InChIKey is HDVJOCXQEUPOKO-ZHACJKMWSA-N. The full InChI is InChI=1S/C19H18N2O2/c1-13(2)14-6-8-15(9-7-14)19-16(10-11-18(22)23)21-12-4-3-5-17(21)20-19/h3-13H,1-2H3,(H,22,23)/b11-10+.
What are the key properties of (E)-3-[2-(4-propan-2-ylphenyl)imidazo[1,2-a]pyridin-3-yl]prop-2-enoic acid?
(E)-3-[2-(4-propan-2-ylphenyl)imidazo[1,2-a]pyridin-3-yl]prop-2-enoic acid has a molecular weight of 306.37 g/mol, XLogP of 4.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[2-(4-propan-2-ylphenyl)imidazo[1,2-a]pyridin-3-yl]prop-2-enoic acid is sourced from PubChem (CID 39195818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).