ethyl 3-bromo-2-methyl-8-propan-2-ylimidazo[1,2-b]pyridazine-7-carboxylate

C13H16BrN3O2 — CID 162494463

IUPACethyl 3-bromo-2-methyl-8-propan-2-ylimidazo[1,2-b]pyridazine-7-carboxylate
SMILESCCOC(=O)c1cnn2c(Br)c(C)nc2c1C(C)C
InChIInChI=1S/C13H16BrN3O2/c1-5-19-13(18)9-6-15-17-11(14)8(4)16-12(17)10(9)7(2)3/h6-7H,5H2,1-4H3
InChIKeyJEWFVASFWJGVCT-UHFFFAOYSA-N
MW326.19 g/mol
LogP3.10
Rot. Bonds3

About ethyl 3-bromo-2-methyl-8-propan-2-ylimidazo[1,2-b]pyridazine-7-carboxylate

ethyl 3-bromo-2-methyl-8-propan-2-ylimidazo[1,2-b]pyridazine-7-carboxylate (PubChem CID 162494463) has the molecular formula C13H16BrN3O2 and a molecular weight of 326.19 g/mol. Its IUPAC name is ethyl 3-bromo-2-methyl-8-propan-2-ylimidazo[1,2-b]pyridazine-7-carboxylate.

Molecular Properties

Compound Nameethyl 3-bromo-2-methyl-8-propan-2-ylimidazo[1,2-b]pyridazine-7-carboxylate
PubChem CID162494463
Molecular FormulaC13H16BrN3O2
Molecular Weight326.19 g/mol
Exact Mass325.04
IUPAC Nameethyl 3-bromo-2-methyl-8-propan-2-ylimidazo[1,2-b]pyridazine-7-carboxylate
SMILESCCOC(=O)c1cnn2c(Br)c(C)nc2c1C(C)C
InChIInChI=1S/C13H16BrN3O2/c1-5-19-13(18)9-6-15-17-11(14)8(4)16-12(17)10(9)7(2)3/h6-7H,5H2,1-4H3
InChIKeyJEWFVASFWJGVCT-UHFFFAOYSA-N
XLogP3.10
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.19
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

zinc;ethyl 3-bromo-2-methyl-8-propan-2-ylimidazo[1,2-b]pyridazine-7-carboxylate;ethyl 3-tert-butyl-2-methyl-8-propan-2-ylimidazo[1,2-b]pyridazine-7-carboxylate;ethyl 2-methyl-3-(2-methylpropyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-7-carboxylate;bis(2-methylpropane)
CID 163419669
ethyl 7-chloro-5-methyl-6-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 82274224
ethyl 2-methyl-3-piperidin-1-yl-8-propan-2-ylimidazo[1,2-b]pyridazine-7-carboxylate;2-methyl-3-piperidin-1-yl-8-propan-2-ylimidazo[1,2-b]pyridazine-7-carboxylic acid
CID 163488591
ethyl 6-ethyl-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 113225230
3-methoxypropyl 3-(3,5-dichlorophenyl)-2-methyl-8-propan-2-ylimidazo[1,2-b]pyridazine-7-carboxylate
CID 166881922
ethyl 3-bromo-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate
CID 57387343
ethyl 1-ethyl-6-methylpyrazolo[3,4-b]pyridine-5-carboxylate
CID 14590536
ethyl 5-bromo-1-(4-bromophenyl)pyrazole-4-carboxylate
CID 53429357
ethyl 4-[(1S)-1-hydroxyethyl]pyrrolo[1,2-b]pyridazine-3-carboxylate
CID 156887109
ethyl 1-(4-bromo-2-pyridinyl)-5-propan-2-ylpyrazole-4-carboxylate
CID 142797746
ethyl 1-(6-bromo-2-pyridinyl)-5-ethylpyrazole-4-carboxylate
CID 118626278
ethyl 5,7-dichloro-2-methyl-6-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 82274664

Frequently Asked Questions

What is the IUPAC name of ethyl 3-bromo-2-methyl-8-propan-2-ylimidazo[1,2-b]pyridazine-7-carboxylate?
The IUPAC name of ethyl 3-bromo-2-methyl-8-propan-2-ylimidazo[1,2-b]pyridazine-7-carboxylate (CID 162494463) is ethyl 3-bromo-2-methyl-8-propan-2-ylimidazo[1,2-b]pyridazine-7-carboxylate.
What is the SMILES notation for ethyl 3-bromo-2-methyl-8-propan-2-ylimidazo[1,2-b]pyridazine-7-carboxylate?
The canonical SMILES for ethyl 3-bromo-2-methyl-8-propan-2-ylimidazo[1,2-b]pyridazine-7-carboxylate is CCOC(=O)c1cnn2c(Br)c(C)nc2c1C(C)C.
What is the InChIKey of ethyl 3-bromo-2-methyl-8-propan-2-ylimidazo[1,2-b]pyridazine-7-carboxylate?
The InChIKey is JEWFVASFWJGVCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrN3O2/c1-5-19-13(18)9-6-15-17-11(14)8(4)16-12(17)10(9)7(2)3/h6-7H,5H2,1-4H3.
What are the key properties of ethyl 3-bromo-2-methyl-8-propan-2-ylimidazo[1,2-b]pyridazine-7-carboxylate?
ethyl 3-bromo-2-methyl-8-propan-2-ylimidazo[1,2-b]pyridazine-7-carboxylate has a molecular weight of 326.19 g/mol, XLogP of 3.10, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-bromo-2-methyl-8-propan-2-ylimidazo[1,2-b]pyridazine-7-carboxylate is sourced from PubChem (CID 162494463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).