ethyl 2-phenylimidazo[1,2-b]pyridazine-3-carboxylate

C15H13N3O2 — CID 14743338

IUPACethyl 2-phenylimidazo[1,2-b]pyridazine-3-carboxylate
SMILESCCOC(=O)c1c(-c2ccccc2)nc2cccnn12
InChIInChI=1S/C15H13N3O2/c1-2-20-15(19)14-13(11-7-4-3-5-8-11)17-12-9-6-10-16-18(12)14/h3-10H,2H2,1H3
InChIKeyVGUSTXAAJWHWKI-UHFFFAOYSA-N
MW267.29 g/mol
LogP2.57
Rot. Bonds3

About ethyl 2-phenylimidazo[1,2-b]pyridazine-3-carboxylate

ethyl 2-phenylimidazo[1,2-b]pyridazine-3-carboxylate (PubChem CID 14743338) has the molecular formula C15H13N3O2 and a molecular weight of 267.29 g/mol. Its IUPAC name is ethyl 2-phenylimidazo[1,2-b]pyridazine-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-phenylimidazo[1,2-b]pyridazine-3-carboxylate
PubChem CID14743338
Molecular FormulaC15H13N3O2
Molecular Weight267.29 g/mol
Exact Mass267.10
IUPAC Nameethyl 2-phenylimidazo[1,2-b]pyridazine-3-carboxylate
SMILESCCOC(=O)c1c(-c2ccccc2)nc2cccnn12
InChIInChI=1S/C15H13N3O2/c1-2-20-15(19)14-13(11-7-4-3-5-8-11)17-12-9-6-10-16-18(12)14/h3-10H,2H2,1H3
InChIKeyVGUSTXAAJWHWKI-UHFFFAOYSA-N
XLogP2.57
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl 2-phenylimidazo[1,2-b]pyridazine-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

Related Compounds

ethyl 2-(2-fluorophenyl)imidazo[1,2-b]pyridazine-3-carboxylate
CID 72698673
ethyl 6-methoxy-2-phenylimidazo[1,2-b]pyridazine-3-carboxylate
CID 14743340
ethyl 2-phenylimidazo[1,2-c]pyrimidine-3-carboxylate
CID 137355302
ethyl 2-(4-hydroxyphenyl)imidazo[1,2-a]pyridine-3-carboxylate
CID 21280357
ethyl 6-phenylimidazo[2,1-b][1,3]thiazole-5-carboxylate
CID 10802132
ethyl 6,8-dimethyl-2-phenylimidazo[1,2-a]pyrazine-3-carboxylate
CID 137355753
ethyl 2-phenylpyridine-3-carboxylate
CID 10846916
ethyl 2-methylimidazo[1,2-a]pyridine-3-carboxylate;hydrochloride
CID 52988808
ethyl 2-methyl-5-phenyl-1,2,4-triazole-3-carboxylate
CID 63355763
1,1'-biphenyl;diethyl benzene-1,4-dicarboxylate
CID 174703430
ethyl 4,6-diphenyl-1,3,5-triazine-2-carboxylate
CID 555559
ethyl 3-phenyl-1,4,8-triazatricyclo[7.4.0.02,7]trideca-2,4,6,8,10,12-hexaene-5-carboxylate
CID 10591570

Frequently Asked Questions

What is the IUPAC name of ethyl 2-phenylimidazo[1,2-b]pyridazine-3-carboxylate?
The IUPAC name of ethyl 2-phenylimidazo[1,2-b]pyridazine-3-carboxylate (CID 14743338) is ethyl 2-phenylimidazo[1,2-b]pyridazine-3-carboxylate.
What is the SMILES notation for ethyl 2-phenylimidazo[1,2-b]pyridazine-3-carboxylate?
The canonical SMILES for ethyl 2-phenylimidazo[1,2-b]pyridazine-3-carboxylate is CCOC(=O)c1c(-c2ccccc2)nc2cccnn12.
What is the InChIKey of ethyl 2-phenylimidazo[1,2-b]pyridazine-3-carboxylate?
The InChIKey is VGUSTXAAJWHWKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2/c1-2-20-15(19)14-13(11-7-4-3-5-8-11)17-12-9-6-10-16-18(12)14/h3-10H,2H2,1H3.
What are the key properties of ethyl 2-phenylimidazo[1,2-b]pyridazine-3-carboxylate?
ethyl 2-phenylimidazo[1,2-b]pyridazine-3-carboxylate has a molecular weight of 267.29 g/mol, XLogP of 2.57, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-phenylimidazo[1,2-b]pyridazine-3-carboxylate is sourced from PubChem (CID 14743338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).