ethyl 6-methoxy-2-phenylimidazo[1,2-b]pyridazine-3-carboxylate

C16H15N3O3 — CID 14743340

IUPACethyl 6-methoxy-2-phenylimidazo[1,2-b]pyridazine-3-carboxylate
SMILESCCOC(=O)c1c(-c2ccccc2)nc2ccc(OC)nn12
InChIInChI=1S/C16H15N3O3/c1-3-22-16(20)15-14(11-7-5-4-6-8-11)17-12-9-10-13(21-2)18-19(12)15/h4-10H,3H2,1-2H3
InChIKeyYUDGTMYOTCPTJW-UHFFFAOYSA-N
MW297.31 g/mol
LogP2.58
Rot. Bonds4

About ethyl 6-methoxy-2-phenylimidazo[1,2-b]pyridazine-3-carboxylate

ethyl 6-methoxy-2-phenylimidazo[1,2-b]pyridazine-3-carboxylate (PubChem CID 14743340) has the molecular formula C16H15N3O3 and a molecular weight of 297.31 g/mol. Its IUPAC name is ethyl 6-methoxy-2-phenylimidazo[1,2-b]pyridazine-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-methoxy-2-phenylimidazo[1,2-b]pyridazine-3-carboxylate
PubChem CID14743340
Molecular FormulaC16H15N3O3
Molecular Weight297.31 g/mol
Exact Mass297.11
IUPAC Nameethyl 6-methoxy-2-phenylimidazo[1,2-b]pyridazine-3-carboxylate
SMILESCCOC(=O)c1c(-c2ccccc2)nc2ccc(OC)nn12
InChIInChI=1S/C16H15N3O3/c1-3-22-16(20)15-14(11-7-5-4-6-8-11)17-12-9-10-13(21-2)18-19(12)15/h4-10H,3H2,1-2H3
InChIKeyYUDGTMYOTCPTJW-UHFFFAOYSA-N
XLogP2.58
TPSA65.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2-phenylimidazo[1,2-b]pyridazine-3-carboxylate
CID 14743338
ethyl 2-phenylimidazo[1,2-c]pyrimidine-3-carboxylate
CID 137355302
2-(4-bromophenyl)-6-ethoxyimidazo[1,2-b]pyridazine-3-carboxamide
CID 69380014
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-(4-hydroxyphenyl)imidazo[1,2-a]pyridine-3-carboxylate
CID 21280357
ethyl 1-methyl-3-phenylpyrazole-4-carboxylate
CID 14003898
1-[[2-(4-bromophenyl)-6-methoxyimidazo[1,2-b]pyridazin-3-yl]methyl]-3-ethylurea
CID 24753980
ethyl 4-oxo-2-phenyl-3-(trifluoromethyl)pyrido[1,2-a]pyrimidine-7-carboxylate
CID 172561000
diethyl 3,4-dihydroxy-1-phenylpyrrole-2,5-dicarboxylate
CID 2801528
ethyl 3-(4-methoxyphenyl)-5-methyl-2-phenylimidazole-4-carboxylate
CID 132502510
ethyl 2-(4-methoxyphenyl)-7-phenylpyrazolo[1,5-a]pyridine-3-carboxylate
CID 132601961

Frequently Asked Questions

What is the IUPAC name of ethyl 6-methoxy-2-phenylimidazo[1,2-b]pyridazine-3-carboxylate?
The IUPAC name of ethyl 6-methoxy-2-phenylimidazo[1,2-b]pyridazine-3-carboxylate (CID 14743340) is ethyl 6-methoxy-2-phenylimidazo[1,2-b]pyridazine-3-carboxylate.
What is the SMILES notation for ethyl 6-methoxy-2-phenylimidazo[1,2-b]pyridazine-3-carboxylate?
The canonical SMILES for ethyl 6-methoxy-2-phenylimidazo[1,2-b]pyridazine-3-carboxylate is CCOC(=O)c1c(-c2ccccc2)nc2ccc(OC)nn12.
What is the InChIKey of ethyl 6-methoxy-2-phenylimidazo[1,2-b]pyridazine-3-carboxylate?
The InChIKey is YUDGTMYOTCPTJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O3/c1-3-22-16(20)15-14(11-7-5-4-6-8-11)17-12-9-10-13(21-2)18-19(12)15/h4-10H,3H2,1-2H3.
What are the key properties of ethyl 6-methoxy-2-phenylimidazo[1,2-b]pyridazine-3-carboxylate?
ethyl 6-methoxy-2-phenylimidazo[1,2-b]pyridazine-3-carboxylate has a molecular weight of 297.31 g/mol, XLogP of 2.58, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-methoxy-2-phenylimidazo[1,2-b]pyridazine-3-carboxylate is sourced from PubChem (CID 14743340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).