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

C14H12N4O2 — CID 76944842

IUPAC3-[2-(3-methylpyrazol-1-yl)imidazo[1,2-a]pyridin-3-yl]prop-2-enoic acid
SMILESCc1ccn(-c2nc3ccccn3c2C=CC(=O)O)n1
InChIInChI=1S/C14H12N4O2/c1-10-7-9-18(16-10)14-11(5-6-13(19)20)17-8-3-2-4-12(17)15-14/h2-9H,1H3,(H,19,20)
InChIKeyRBJIJGZBAYXFQQ-UHFFFAOYSA-N
MW268.28 g/mol
LogP1.93
Rot. Bonds3

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

3-[2-(3-methylpyrazol-1-yl)imidazo[1,2-a]pyridin-3-yl]prop-2-enoic acid (PubChem CID 76944842) has the molecular formula C14H12N4O2 and a molecular weight of 268.28 g/mol. Its IUPAC name is 3-[2-(3-methylpyrazol-1-yl)imidazo[1,2-a]pyridin-3-yl]prop-2-enoic acid.

Molecular Properties

Compound Name3-[2-(3-methylpyrazol-1-yl)imidazo[1,2-a]pyridin-3-yl]prop-2-enoic acid
PubChem CID76944842
Molecular FormulaC14H12N4O2
Molecular Weight268.28 g/mol
Exact Mass268.10
IUPAC Name3-[2-(3-methylpyrazol-1-yl)imidazo[1,2-a]pyridin-3-yl]prop-2-enoic acid
SMILESCc1ccn(-c2nc3ccccn3c2C=CC(=O)O)n1
InChIInChI=1S/C14H12N4O2/c1-10-7-9-18(16-10)14-11(5-6-13(19)20)17-8-3-2-4-12(17)15-14/h2-9H,1H3,(H,19,20)
InChIKeyRBJIJGZBAYXFQQ-UHFFFAOYSA-N
XLogP1.93
TPSA72.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 3-[2-(3-methylpyrazol-1-yl)imidazo[1,2-a]pyridin-3-yl]prop-2-enoic acid?
The IUPAC name of 3-[2-(3-methylpyrazol-1-yl)imidazo[1,2-a]pyridin-3-yl]prop-2-enoic acid (CID 76944842) is 3-[2-(3-methylpyrazol-1-yl)imidazo[1,2-a]pyridin-3-yl]prop-2-enoic acid.
What is the SMILES notation for 3-[2-(3-methylpyrazol-1-yl)imidazo[1,2-a]pyridin-3-yl]prop-2-enoic acid?
The canonical SMILES for 3-[2-(3-methylpyrazol-1-yl)imidazo[1,2-a]pyridin-3-yl]prop-2-enoic acid is Cc1ccn(-c2nc3ccccn3c2C=CC(=O)O)n1.
What is the InChIKey of 3-[2-(3-methylpyrazol-1-yl)imidazo[1,2-a]pyridin-3-yl]prop-2-enoic acid?
The InChIKey is RBJIJGZBAYXFQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O2/c1-10-7-9-18(16-10)14-11(5-6-13(19)20)17-8-3-2-4-12(17)15-14/h2-9H,1H3,(H,19,20).
What are the key properties of 3-[2-(3-methylpyrazol-1-yl)imidazo[1,2-a]pyridin-3-yl]prop-2-enoic acid?
3-[2-(3-methylpyrazol-1-yl)imidazo[1,2-a]pyridin-3-yl]prop-2-enoic acid has a molecular weight of 268.28 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-methylpyrazol-1-yl)imidazo[1,2-a]pyridin-3-yl]prop-2-enoic acid is sourced from PubChem (CID 76944842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).