3-bromo-7-(1-methylpyrazol-4-yl)-6-(oxolan-3-yloxy)imidazo[1,2-b]pyridazine

C14H14BrN5O2 — CID 166643766

IUPAC3-bromo-7-(1-methylpyrazol-4-yl)-6-(oxolan-3-yloxy)imidazo[1,2-b]pyridazine
SMILESCn1cc(-c2cc3ncc(Br)n3nc2OC2CCOC2)cn1
InChIInChI=1S/C14H14BrN5O2/c1-19-7-9(5-17-19)11-4-13-16-6-12(15)20(13)18-14(11)22-10-2-3-21-8-10/h4-7,10H,2-3,8H2,1H3
InChIKeyGGEIUMWHMYQXOO-UHFFFAOYSA-N
MW364.20 g/mol
LogP2.06
Rot. Bonds3

About 3-bromo-7-(1-methylpyrazol-4-yl)-6-(oxolan-3-yloxy)imidazo[1,2-b]pyridazine

3-bromo-7-(1-methylpyrazol-4-yl)-6-(oxolan-3-yloxy)imidazo[1,2-b]pyridazine (PubChem CID 166643766) has the molecular formula C14H14BrN5O2 and a molecular weight of 364.20 g/mol. Its IUPAC name is 3-bromo-7-(1-methylpyrazol-4-yl)-6-(oxolan-3-yloxy)imidazo[1,2-b]pyridazine.

Molecular Properties

Compound Name3-bromo-7-(1-methylpyrazol-4-yl)-6-(oxolan-3-yloxy)imidazo[1,2-b]pyridazine
PubChem CID166643766
Molecular FormulaC14H14BrN5O2
Molecular Weight364.20 g/mol
Exact Mass363.03
IUPAC Name3-bromo-7-(1-methylpyrazol-4-yl)-6-(oxolan-3-yloxy)imidazo[1,2-b]pyridazine
SMILESCn1cc(-c2cc3ncc(Br)n3nc2OC2CCOC2)cn1
InChIInChI=1S/C14H14BrN5O2/c1-19-7-9(5-17-19)11-4-13-16-6-12(15)20(13)18-14(11)22-10-2-3-21-8-10/h4-7,10H,2-3,8H2,1H3
InChIKeyGGEIUMWHMYQXOO-UHFFFAOYSA-N
XLogP2.06
TPSA66.47 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.20
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-7-(1-methylpyrazol-4-yl)-6-(oxolan-3-yloxy)imidazo[1,2-b]pyridazine?
The IUPAC name of 3-bromo-7-(1-methylpyrazol-4-yl)-6-(oxolan-3-yloxy)imidazo[1,2-b]pyridazine (CID 166643766) is 3-bromo-7-(1-methylpyrazol-4-yl)-6-(oxolan-3-yloxy)imidazo[1,2-b]pyridazine.
What is the SMILES notation for 3-bromo-7-(1-methylpyrazol-4-yl)-6-(oxolan-3-yloxy)imidazo[1,2-b]pyridazine?
The canonical SMILES for 3-bromo-7-(1-methylpyrazol-4-yl)-6-(oxolan-3-yloxy)imidazo[1,2-b]pyridazine is Cn1cc(-c2cc3ncc(Br)n3nc2OC2CCOC2)cn1.
What is the InChIKey of 3-bromo-7-(1-methylpyrazol-4-yl)-6-(oxolan-3-yloxy)imidazo[1,2-b]pyridazine?
The InChIKey is GGEIUMWHMYQXOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrN5O2/c1-19-7-9(5-17-19)11-4-13-16-6-12(15)20(13)18-14(11)22-10-2-3-21-8-10/h4-7,10H,2-3,8H2,1H3.
What are the key properties of 3-bromo-7-(1-methylpyrazol-4-yl)-6-(oxolan-3-yloxy)imidazo[1,2-b]pyridazine?
3-bromo-7-(1-methylpyrazol-4-yl)-6-(oxolan-3-yloxy)imidazo[1,2-b]pyridazine has a molecular weight of 364.20 g/mol, XLogP of 2.06, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-7-(1-methylpyrazol-4-yl)-6-(oxolan-3-yloxy)imidazo[1,2-b]pyridazine is sourced from PubChem (CID 166643766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).