ethyl 2-pyridin-3-yl-5,6-dihydroimidazo[1,2-b]pyridazine-8-carboxylate

C14H14N4O2 — CID 134551601

IUPACethyl 2-pyridin-3-yl-5,6-dihydroimidazo[1,2-b]pyridazine-8-carboxylate
SMILESCCOC(=O)C1=CCNn2cc(-c3cccnc3)nc21
InChIInChI=1S/C14H14N4O2/c1-2-20-14(19)11-5-7-16-18-9-12(17-13(11)18)10-4-3-6-15-8-10/h3-6,8-9,16H,2,7H2,1H3
InChIKeyUJKYCGSZPILTHU-UHFFFAOYSA-N
MW270.29 g/mol
LogP1.45
Rot. Bonds3

About ethyl 2-pyridin-3-yl-5,6-dihydroimidazo[1,2-b]pyridazine-8-carboxylate

ethyl 2-pyridin-3-yl-5,6-dihydroimidazo[1,2-b]pyridazine-8-carboxylate (PubChem CID 134551601) has the molecular formula C14H14N4O2 and a molecular weight of 270.29 g/mol. Its IUPAC name is ethyl 2-pyridin-3-yl-5,6-dihydroimidazo[1,2-b]pyridazine-8-carboxylate.

Molecular Properties

Compound Nameethyl 2-pyridin-3-yl-5,6-dihydroimidazo[1,2-b]pyridazine-8-carboxylate
PubChem CID134551601
Molecular FormulaC14H14N4O2
Molecular Weight270.29 g/mol
Exact Mass270.11
IUPAC Nameethyl 2-pyridin-3-yl-5,6-dihydroimidazo[1,2-b]pyridazine-8-carboxylate
SMILESCCOC(=O)C1=CCNn2cc(-c3cccnc3)nc21
InChIInChI=1S/C14H14N4O2/c1-2-20-14(19)11-5-7-16-18-9-12(17-13(11)18)10-4-3-6-15-8-10/h3-6,8-9,16H,2,7H2,1H3
InChIKeyUJKYCGSZPILTHU-UHFFFAOYSA-N
XLogP1.45
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2-methyl-6-pyridin-3-ylpyridine-3-carboxylate
CID 112561966
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ethyl 2-phenyl-4-pyridin-3-yl-1H-imidazole-5-carboxylate
CID 44605735
ethyl 4-pyridin-3-yl-1H-pyrrole-3-carboxylate
CID 53404665
ethyl 4-pyridin-3-yl-1,3-thiazole-2-carboxylate;hydrobromide
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CID 46317829
ethyl 2-pyridin-3-yl-4-pyrrolidin-1-ylpyrimidine-5-carboxylate
CID 59517680
ethyl 1-propan-2-yl-3-pyridin-3-ylpyrazole-5-carboxylate
CID 163398875
ethyl 2-cyclopropyl-5-pyridin-3-yl-1,3-thiazole-4-carboxylate
CID 143451884
ethyl 4-(benzylamino)-2-pyridin-3-ylpyrimidine-5-carboxylate
CID 59517703
ethyl 1-(3-methylbutyl)-5-pyridin-3-yltriazole-4-carboxylate
CID 102642365
ethyl 4-[(2-pyridin-3-ylpyrimidin-4-yl)amino]benzoate
CID 90353161

Frequently Asked Questions

What is the IUPAC name of ethyl 2-pyridin-3-yl-5,6-dihydroimidazo[1,2-b]pyridazine-8-carboxylate?
The IUPAC name of ethyl 2-pyridin-3-yl-5,6-dihydroimidazo[1,2-b]pyridazine-8-carboxylate (CID 134551601) is ethyl 2-pyridin-3-yl-5,6-dihydroimidazo[1,2-b]pyridazine-8-carboxylate.
What is the SMILES notation for ethyl 2-pyridin-3-yl-5,6-dihydroimidazo[1,2-b]pyridazine-8-carboxylate?
The canonical SMILES for ethyl 2-pyridin-3-yl-5,6-dihydroimidazo[1,2-b]pyridazine-8-carboxylate is CCOC(=O)C1=CCNn2cc(-c3cccnc3)nc21.
What is the InChIKey of ethyl 2-pyridin-3-yl-5,6-dihydroimidazo[1,2-b]pyridazine-8-carboxylate?
The InChIKey is UJKYCGSZPILTHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O2/c1-2-20-14(19)11-5-7-16-18-9-12(17-13(11)18)10-4-3-6-15-8-10/h3-6,8-9,16H,2,7H2,1H3.
What are the key properties of ethyl 2-pyridin-3-yl-5,6-dihydroimidazo[1,2-b]pyridazine-8-carboxylate?
ethyl 2-pyridin-3-yl-5,6-dihydroimidazo[1,2-b]pyridazine-8-carboxylate has a molecular weight of 270.29 g/mol, XLogP of 1.45, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-pyridin-3-yl-5,6-dihydroimidazo[1,2-b]pyridazine-8-carboxylate is sourced from PubChem (CID 134551601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).