ethyl 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)pyridine-3-carboxylate

C16H15N5O3 — CID 142580915

IUPACethyl 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)pyridine-3-carboxylate
SMILESCCOC(=O)c1cncc(-c2ccc3nc(NC(C)=O)cn3n2)c1
InChIInChI=1S/C16H15N5O3/c1-3-24-16(23)12-6-11(7-17-8-12)13-4-5-15-19-14(18-10(2)22)9-21(15)20-13/h4-9H,3H2,1-2H3,(H,18,22)
InChIKeyVEXWNWXADCEXDG-UHFFFAOYSA-N
MW325.33 g/mol
LogP1.93
Rot. Bonds4

About ethyl 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)pyridine-3-carboxylate

ethyl 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)pyridine-3-carboxylate (PubChem CID 142580915) has the molecular formula C16H15N5O3 and a molecular weight of 325.33 g/mol. Its IUPAC name is ethyl 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)pyridine-3-carboxylate
PubChem CID142580915
Molecular FormulaC16H15N5O3
Molecular Weight325.33 g/mol
Exact Mass325.12
IUPAC Nameethyl 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)pyridine-3-carboxylate
SMILESCCOC(=O)c1cncc(-c2ccc3nc(NC(C)=O)cn3n2)c1
InChIInChI=1S/C16H15N5O3/c1-3-24-16(23)12-6-11(7-17-8-12)13-4-5-15-19-14(18-10(2)22)9-21(15)20-13/h4-9H,3H2,1-2H3,(H,18,22)
InChIKeyVEXWNWXADCEXDG-UHFFFAOYSA-N
XLogP1.93
TPSA98.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.33
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze ethyl 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)pyridine-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)pyridine-3-carboxylate?
The IUPAC name of ethyl 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)pyridine-3-carboxylate (CID 142580915) is ethyl 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)pyridine-3-carboxylate.
What is the SMILES notation for ethyl 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)pyridine-3-carboxylate?
The canonical SMILES for ethyl 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)pyridine-3-carboxylate is CCOC(=O)c1cncc(-c2ccc3nc(NC(C)=O)cn3n2)c1.
What is the InChIKey of ethyl 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)pyridine-3-carboxylate?
The InChIKey is VEXWNWXADCEXDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O3/c1-3-24-16(23)12-6-11(7-17-8-12)13-4-5-15-19-14(18-10(2)22)9-21(15)20-13/h4-9H,3H2,1-2H3,(H,18,22).
What are the key properties of ethyl 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)pyridine-3-carboxylate?
ethyl 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)pyridine-3-carboxylate has a molecular weight of 325.33 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)pyridine-3-carboxylate is sourced from PubChem (CID 142580915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).