6-(4-fluorophenyl)-8-(2-hydroxypropan-2-yl)imidazo[1,2-b]pyridazine-2-carbaldehyde

C16H14FN3O2 — CID 144817332

IUPAC6-(4-fluorophenyl)-8-(2-hydroxypropan-2-yl)imidazo[1,2-b]pyridazine-2-carbaldehyde
SMILESCC(C)(O)c1cc(-c2ccc(F)cc2)nn2cc(C=O)nc12
InChIInChI=1S/C16H14FN3O2/c1-16(2,22)13-7-14(10-3-5-11(17)6-4-10)19-20-8-12(9-21)18-15(13)20/h3-9,22H,1-2H3
InChIKeyIONGWLNRRYWREE-UHFFFAOYSA-N
MW299.31 g/mol
LogP2.58
Rot. Bonds3

About 6-(4-fluorophenyl)-8-(2-hydroxypropan-2-yl)imidazo[1,2-b]pyridazine-2-carbaldehyde

6-(4-fluorophenyl)-8-(2-hydroxypropan-2-yl)imidazo[1,2-b]pyridazine-2-carbaldehyde (PubChem CID 144817332) has the molecular formula C16H14FN3O2 and a molecular weight of 299.31 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-8-(2-hydroxypropan-2-yl)imidazo[1,2-b]pyridazine-2-carbaldehyde.

Molecular Properties

Compound Name6-(4-fluorophenyl)-8-(2-hydroxypropan-2-yl)imidazo[1,2-b]pyridazine-2-carbaldehyde
PubChem CID144817332
Molecular FormulaC16H14FN3O2
Molecular Weight299.31 g/mol
Exact Mass299.11
IUPAC Name6-(4-fluorophenyl)-8-(2-hydroxypropan-2-yl)imidazo[1,2-b]pyridazine-2-carbaldehyde
SMILESCC(C)(O)c1cc(-c2ccc(F)cc2)nn2cc(C=O)nc12
InChIInChI=1S/C16H14FN3O2/c1-16(2,22)13-7-14(10-3-5-11(17)6-4-10)19-20-8-12(9-21)18-15(13)20/h3-9,22H,1-2H3
InChIKeyIONGWLNRRYWREE-UHFFFAOYSA-N
XLogP2.58
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.31
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-8-(2-hydroxypropan-2-yl)imidazo[1,2-b]pyridazine-2-carbaldehyde?
The IUPAC name of 6-(4-fluorophenyl)-8-(2-hydroxypropan-2-yl)imidazo[1,2-b]pyridazine-2-carbaldehyde (CID 144817332) is 6-(4-fluorophenyl)-8-(2-hydroxypropan-2-yl)imidazo[1,2-b]pyridazine-2-carbaldehyde.
What is the SMILES notation for 6-(4-fluorophenyl)-8-(2-hydroxypropan-2-yl)imidazo[1,2-b]pyridazine-2-carbaldehyde?
The canonical SMILES for 6-(4-fluorophenyl)-8-(2-hydroxypropan-2-yl)imidazo[1,2-b]pyridazine-2-carbaldehyde is CC(C)(O)c1cc(-c2ccc(F)cc2)nn2cc(C=O)nc12.
What is the InChIKey of 6-(4-fluorophenyl)-8-(2-hydroxypropan-2-yl)imidazo[1,2-b]pyridazine-2-carbaldehyde?
The InChIKey is IONGWLNRRYWREE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3O2/c1-16(2,22)13-7-14(10-3-5-11(17)6-4-10)19-20-8-12(9-21)18-15(13)20/h3-9,22H,1-2H3.
What are the key properties of 6-(4-fluorophenyl)-8-(2-hydroxypropan-2-yl)imidazo[1,2-b]pyridazine-2-carbaldehyde?
6-(4-fluorophenyl)-8-(2-hydroxypropan-2-yl)imidazo[1,2-b]pyridazine-2-carbaldehyde has a molecular weight of 299.31 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-8-(2-hydroxypropan-2-yl)imidazo[1,2-b]pyridazine-2-carbaldehyde is sourced from PubChem (CID 144817332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).