3-[3-imidazo[1,2-b]pyridazin-2-yl-5-(2-methoxyethoxy)phenyl]-N-pyridin-2-yl-1,2,4-oxadiazole-5-carboxamide

C23H19N7O4 — CID 42623505

IUPAC3-[3-imidazo[1,2-b]pyridazin-2-yl-5-(2-methoxyethoxy)phenyl]-N-pyridin-2-yl-1,2,4-oxadiazole-5-carboxamide
SMILESCOCCOc1cc(-c2cn3ncccc3n2)cc(-c2noc(C(=O)Nc3ccccn3)n2)c1
InChIInChI=1S/C23H19N7O4/c1-32-9-10-33-17-12-15(18-14-30-20(26-18)6-4-8-25-30)11-16(13-17)21-28-23(34-29-21)22(31)27-19-5-2-3-7-24-19/h2-8,11-14H,9-10H2,1H3,(H,24,27,31)
InChIKeyZSWASTFTCOIAQY-UHFFFAOYSA-N
MW457.45 g/mol
LogP3.12
Rot. Bonds8

About 3-[3-imidazo[1,2-b]pyridazin-2-yl-5-(2-methoxyethoxy)phenyl]-N-pyridin-2-yl-1,2,4-oxadiazole-5-carboxamide

3-[3-imidazo[1,2-b]pyridazin-2-yl-5-(2-methoxyethoxy)phenyl]-N-pyridin-2-yl-1,2,4-oxadiazole-5-carboxamide (PubChem CID 42623505) has the molecular formula C23H19N7O4 and a molecular weight of 457.45 g/mol. Its IUPAC name is 3-[3-imidazo[1,2-b]pyridazin-2-yl-5-(2-methoxyethoxy)phenyl]-N-pyridin-2-yl-1,2,4-oxadiazole-5-carboxamide.

Molecular Properties

Compound Name3-[3-imidazo[1,2-b]pyridazin-2-yl-5-(2-methoxyethoxy)phenyl]-N-pyridin-2-yl-1,2,4-oxadiazole-5-carboxamide
PubChem CID42623505
Molecular FormulaC23H19N7O4
Molecular Weight457.45 g/mol
Exact Mass457.15
IUPAC Name3-[3-imidazo[1,2-b]pyridazin-2-yl-5-(2-methoxyethoxy)phenyl]-N-pyridin-2-yl-1,2,4-oxadiazole-5-carboxamide
SMILESCOCCOc1cc(-c2cn3ncccc3n2)cc(-c2noc(C(=O)Nc3ccccn3)n2)c1
InChIInChI=1S/C23H19N7O4/c1-32-9-10-33-17-12-15(18-14-30-20(26-18)6-4-8-25-30)11-16(13-17)21-28-23(34-29-21)22(31)27-19-5-2-3-7-24-19/h2-8,11-14H,9-10H2,1H3,(H,24,27,31)
InChIKeyZSWASTFTCOIAQY-UHFFFAOYSA-N
XLogP3.12
TPSA129.56 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.45
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 3-[3-imidazo[1,2-b]pyridazin-2-yl-5-(2-methoxyethoxy)phenyl]-N-pyridin-2-yl-1,2,4-oxadiazole-5-carboxamide 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 3-[3-imidazo[1,2-b]pyridazin-2-yl-5-(2-methoxyethoxy)phenyl]-N-pyridin-2-yl-1,2,4-oxadiazole-5-carboxamide?
The IUPAC name of 3-[3-imidazo[1,2-b]pyridazin-2-yl-5-(2-methoxyethoxy)phenyl]-N-pyridin-2-yl-1,2,4-oxadiazole-5-carboxamide (CID 42623505) is 3-[3-imidazo[1,2-b]pyridazin-2-yl-5-(2-methoxyethoxy)phenyl]-N-pyridin-2-yl-1,2,4-oxadiazole-5-carboxamide.
What is the SMILES notation for 3-[3-imidazo[1,2-b]pyridazin-2-yl-5-(2-methoxyethoxy)phenyl]-N-pyridin-2-yl-1,2,4-oxadiazole-5-carboxamide?
The canonical SMILES for 3-[3-imidazo[1,2-b]pyridazin-2-yl-5-(2-methoxyethoxy)phenyl]-N-pyridin-2-yl-1,2,4-oxadiazole-5-carboxamide is COCCOc1cc(-c2cn3ncccc3n2)cc(-c2noc(C(=O)Nc3ccccn3)n2)c1.
What is the InChIKey of 3-[3-imidazo[1,2-b]pyridazin-2-yl-5-(2-methoxyethoxy)phenyl]-N-pyridin-2-yl-1,2,4-oxadiazole-5-carboxamide?
The InChIKey is ZSWASTFTCOIAQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N7O4/c1-32-9-10-33-17-12-15(18-14-30-20(26-18)6-4-8-25-30)11-16(13-17)21-28-23(34-29-21)22(31)27-19-5-2-3-7-24-19/h2-8,11-14H,9-10H2,1H3,(H,24,27,31).
What are the key properties of 3-[3-imidazo[1,2-b]pyridazin-2-yl-5-(2-methoxyethoxy)phenyl]-N-pyridin-2-yl-1,2,4-oxadiazole-5-carboxamide?
3-[3-imidazo[1,2-b]pyridazin-2-yl-5-(2-methoxyethoxy)phenyl]-N-pyridin-2-yl-1,2,4-oxadiazole-5-carboxamide has a molecular weight of 457.45 g/mol, XLogP of 3.12, 8 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-imidazo[1,2-b]pyridazin-2-yl-5-(2-methoxyethoxy)phenyl]-N-pyridin-2-yl-1,2,4-oxadiazole-5-carboxamide is sourced from PubChem (CID 42623505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).