(E)-3-(6-methyl-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)prop-2-enoic acid

C15H12N2O2S — CID 39195917

IUPAC(E)-3-(6-methyl-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)prop-2-enoic acid
SMILESCc1ccc2nc(-c3cccs3)c(/C=C/C(=O)O)n2c1
InChIInChI=1S/C15H12N2O2S/c1-10-4-6-13-16-15(12-3-2-8-20-12)11(17(13)9-10)5-7-14(18)19/h2-9H,1H3,(H,18,19)/b7-5+
InChIKeyXUXASSJGIXDNBQ-FNORWQNLSA-N
MW284.34 g/mol
LogP3.47
Rot. Bonds3

About (E)-3-(6-methyl-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)prop-2-enoic acid

(E)-3-(6-methyl-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)prop-2-enoic acid (PubChem CID 39195917) has the molecular formula C15H12N2O2S and a molecular weight of 284.34 g/mol. Its IUPAC name is (E)-3-(6-methyl-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)prop-2-enoic acid.

Molecular Properties

Compound Name(E)-3-(6-methyl-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)prop-2-enoic acid
PubChem CID39195917
Molecular FormulaC15H12N2O2S
Molecular Weight284.34 g/mol
Exact Mass284.06
IUPAC Name(E)-3-(6-methyl-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)prop-2-enoic acid
SMILESCc1ccc2nc(-c3cccs3)c(/C=C/C(=O)O)n2c1
InChIInChI=1S/C15H12N2O2S/c1-10-4-6-13-16-15(12-3-2-8-20-12)11(17(13)9-10)5-7-14(18)19/h2-9H,1H3,(H,18,19)/b7-5+
InChIKeyXUXASSJGIXDNBQ-FNORWQNLSA-N
XLogP3.47
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 53.47
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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Related Compounds

(E)-3-(6-chloro-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)prop-2-enoic acid
CID 39196006
(E)-3-[6-methyl-2-(4-phenylphenyl)imidazo[1,2-a]pyridin-3-yl]prop-2-enoate
CID 7023742
N-(6-methyl-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)furan-2-carboxamide
CID 35523629
3-[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]prop-2-enoic acid
CID 2760659
(E)-3-(6-methyl-3-thiophen-2-ylimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enoic acid
CID 39196288
(E)-3-(6-bromo-2-methylimidazo[1,2-a]pyridin-3-yl)prop-2-enoic acid
CID 39196018
(E)-3-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)prop-2-enoic acid
CID 82530341
(E)-3-[6-chloro-2-(2-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]prop-2-enoic acid
CID 39196008
4-methyl-N-(2-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)benzamide
CID 751469
(E)-3-[5-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]prop-2-enoic acid
CID 39195853
(E)-1-(2,6-dimethylimidazo[1,2-a]pyridin-3-yl)-3-phenylprop-2-en-1-one
CID 171652295
3-[6-bromo-2-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-3-yl]prop-2-enoic acid
CID 2756936

Frequently Asked Questions

What is the IUPAC name of (E)-3-(6-methyl-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)prop-2-enoic acid?
The IUPAC name of (E)-3-(6-methyl-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)prop-2-enoic acid (CID 39195917) is (E)-3-(6-methyl-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)prop-2-enoic acid.
What is the SMILES notation for (E)-3-(6-methyl-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)prop-2-enoic acid?
The canonical SMILES for (E)-3-(6-methyl-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)prop-2-enoic acid is Cc1ccc2nc(-c3cccs3)c(/C=C/C(=O)O)n2c1.
What is the InChIKey of (E)-3-(6-methyl-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)prop-2-enoic acid?
The InChIKey is XUXASSJGIXDNBQ-FNORWQNLSA-N. The full InChI is InChI=1S/C15H12N2O2S/c1-10-4-6-13-16-15(12-3-2-8-20-12)11(17(13)9-10)5-7-14(18)19/h2-9H,1H3,(H,18,19)/b7-5+.
What are the key properties of (E)-3-(6-methyl-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)prop-2-enoic acid?
(E)-3-(6-methyl-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)prop-2-enoic acid has a molecular weight of 284.34 g/mol, XLogP of 3.47, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(6-methyl-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)prop-2-enoic acid is sourced from PubChem (CID 39195917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).