2-(4-bromophenyl)-6-ethoxyimidazo[1,2-b]pyridazine-3-carboxamide

C15H13BrN4O2 — CID 69380014

IUPAC2-(4-bromophenyl)-6-ethoxyimidazo[1,2-b]pyridazine-3-carboxamide
SMILESCCOc1ccc2nc(-c3ccc(Br)cc3)c(C(N)=O)n2n1
InChIInChI=1S/C15H13BrN4O2/c1-2-22-12-8-7-11-18-13(9-3-5-10(16)6-4-9)14(15(17)21)20(11)19-12/h3-8H,2H2,1H3,(H2,17,21)
InChIKeyWXNGNBBWWJXLDF-UHFFFAOYSA-N
MW361.20 g/mol
LogP2.66
Rot. Bonds4

About 2-(4-bromophenyl)-6-ethoxyimidazo[1,2-b]pyridazine-3-carboxamide

2-(4-bromophenyl)-6-ethoxyimidazo[1,2-b]pyridazine-3-carboxamide (PubChem CID 69380014) has the molecular formula C15H13BrN4O2 and a molecular weight of 361.20 g/mol. Its IUPAC name is 2-(4-bromophenyl)-6-ethoxyimidazo[1,2-b]pyridazine-3-carboxamide.

Molecular Properties

Compound Name2-(4-bromophenyl)-6-ethoxyimidazo[1,2-b]pyridazine-3-carboxamide
PubChem CID69380014
Molecular FormulaC15H13BrN4O2
Molecular Weight361.20 g/mol
Exact Mass360.02
IUPAC Name2-(4-bromophenyl)-6-ethoxyimidazo[1,2-b]pyridazine-3-carboxamide
SMILESCCOc1ccc2nc(-c3ccc(Br)cc3)c(C(N)=O)n2n1
InChIInChI=1S/C15H13BrN4O2/c1-2-22-12-8-7-11-18-13(9-3-5-10(16)6-4-9)14(15(17)21)20(11)19-12/h3-8H,2H2,1H3,(H2,17,21)
InChIKeyWXNGNBBWWJXLDF-UHFFFAOYSA-N
XLogP2.66
TPSA82.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.20
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-6-ethoxyimidazo[1,2-b]pyridazine-3-carboxamide?
The IUPAC name of 2-(4-bromophenyl)-6-ethoxyimidazo[1,2-b]pyridazine-3-carboxamide (CID 69380014) is 2-(4-bromophenyl)-6-ethoxyimidazo[1,2-b]pyridazine-3-carboxamide.
What is the SMILES notation for 2-(4-bromophenyl)-6-ethoxyimidazo[1,2-b]pyridazine-3-carboxamide?
The canonical SMILES for 2-(4-bromophenyl)-6-ethoxyimidazo[1,2-b]pyridazine-3-carboxamide is CCOc1ccc2nc(-c3ccc(Br)cc3)c(C(N)=O)n2n1.
What is the InChIKey of 2-(4-bromophenyl)-6-ethoxyimidazo[1,2-b]pyridazine-3-carboxamide?
The InChIKey is WXNGNBBWWJXLDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrN4O2/c1-2-22-12-8-7-11-18-13(9-3-5-10(16)6-4-9)14(15(17)21)20(11)19-12/h3-8H,2H2,1H3,(H2,17,21).
What are the key properties of 2-(4-bromophenyl)-6-ethoxyimidazo[1,2-b]pyridazine-3-carboxamide?
2-(4-bromophenyl)-6-ethoxyimidazo[1,2-b]pyridazine-3-carboxamide has a molecular weight of 361.20 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-6-ethoxyimidazo[1,2-b]pyridazine-3-carboxamide is sourced from PubChem (CID 69380014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).